#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 0.73 0.00 -3.46 5.75 -1.26 -4.79 116.55 113.52 1f6m n ASP 2 Ca 0.00 -1.05 0.00 0.00 -0.01 0.00 0.00 54.79 53.73 1f6m n ASP 2 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 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 -0.02 2.76 -1.56 0.11 5.02 -1.26 -5.11 118.16 118.09 1f6m n LYS 3 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 1f6m n LYS 3 Cb 0.10 -0.23 0.01 0.00 -0.02 0.00 0.00 35.03 34.89 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 0.00 2.36 -4.25 -0.18 2.08 -1.19 -4.56 119.36 113.63 1f6m n ILE 4 Ca 0.00 -0.50 -0.23 0.00 0.56 0.00 0.00 62.75 62.58 1f6m n ILE 4 Cb 0.00 -0.96 -0.17 0.00 -0.75 0.00 0.00 39.64 37.76 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 -1.36 0.87 -0.26 1.39 -1.09 -1.20 -4.96 121.20 114.59 1f6m s ILE 5 Ca 0.65 -0.28 -0.06 0.00 -2.23 0.00 0.00 60.65 58.72 1f6m s ILE 5 Cb -0.56 -0.85 -0.24 0.00 -1.58 0.00 0.00 42.46 39.23 1f6m s ILE 5 CO 0.56 0.31 3.45 1.41 -1.23 0.00 0.00 174.94 179.44 1f6m n HIS 6 N 4.22 0.38 -0.86 3.97 8.25 -1.26 -1.99 115.22 127.93 1f6m n HIS 6 Ca -0.20 -1.72 -0.29 0.00 -0.26 0.00 0.00 57.72 55.25 1f6m n HIS 6 Cb 0.51 -1.71 0.02 0.00 1.12 0.00 0.00 29.99 29.93 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 2.69 -4.22 -4.25 2.41 4.77 -0.99 -4.93 117.00 112.48 1f6m n LEU 7 Ca 0.48 0.26 -0.14 0.00 -0.03 0.00 0.00 56.01 56.58 1f6m n LEU 7 Cb 0.79 -0.63 -0.10 0.00 -2.33 0.00 0.00 43.42 41.15 1f6m n LEU 7 CO 0.24 -4.50 -0.24 0.42 -1.33 0.00 0.00 177.39 171.98 1f6m s THR 8 N -1.59 0.22 0.46 -5.08 -4.23 -1.26 -4.42 115.64 99.74 1f6m s THR 8 Ca 0.36 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.06 1f6m s THR 8 Cb -0.22 -2.55 0.23 0.00 1.34 0.00 0.00 72.50 71.29 1f6m s THR 8 CO 0.62 0.00 2.05 0.44 -0.54 0.00 0.00 174.62 177.18 1f6m h ASP 9 N 2.52 0.00 0.10 3.99 3.45 -1.90 -3.15 116.42 121.44 1f6m h ASP 9 Ca -0.37 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.09 1f6m h ASP 9 Cb 1.25 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.02 1f6m h ASP 9 CO 0.56 0.14 -0.05 0.44 -1.57 0.00 0.00 179.24 178.76 1f6m h ASP 10 N 0.00 -0.11 -0.10 6.45 5.19 -2.00 -3.37 116.42 122.48 1f6m h ASP 10 Ca -0.00 -0.16 -0.49 0.00 -0.62 0.00 0.00 57.03 55.76 1f6m h ASP 10 Cb 0.28 0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.80 1f6m h ASP 10 CO 0.02 0.44 2.09 -1.54 -3.12 0.00 0.00 179.24 177.13 1f6m n SER 11 N -4.85 7.35 0.02 6.45 3.41 -1.19 -3.92 113.62 120.89 1f6m n SER 11 Ca -0.03 -2.59 0.00 0.00 -0.26 0.00 0.00 58.87 55.99 1f6m n SER 11 Cb 0.13 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 62.59 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 2.99 -0.19 -0.31 7.33 7.35 -1.22 -4.25 117.46 129.17 1f6m n PHE 12 Ca 0.64 0.03 0.06 0.00 -0.76 0.00 0.00 57.45 57.42 1f6m n PHE 12 Cb 0.50 0.16 0.21 0.00 0.35 0.00 0.00 39.48 40.70 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 0.65 0.01 -2.13 1.82 -1.82 0.30 116.42 115.26 1f6m h ASP 13 Ca 0.00 0.07 -0.21 0.00 -0.39 0.00 0.00 57.03 56.50 1f6m h ASP 13 Cb 0.53 -0.05 0.02 0.00 0.68 0.00 0.00 39.33 40.51 1f6m h ASP 13 CO 0.00 0.32 -0.81 0.71 -1.61 0.00 0.00 179.24 177.85 1f6m h THR 14 N 0.75 1.37 0.00 2.25 1.35 -1.86 -2.69 112.91 114.08 1f6m h THR 14 Ca 0.45 -2.18 0.00 0.00 -0.55 0.00 0.00 66.41 64.13 1f6m h THR 14 Cb 0.54 2.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.51 1f6m h THR 14 CO -0.31 0.65 0.00 0.47 -0.25 0.00 0.00 175.52 176.08 1f6m n ASP 15 N -4.06 0.00 -0.01 5.36 10.43 -0.84 -4.04 116.55 123.39 1f6m n ASP 15 Ca -0.11 0.74 -0.01 0.00 2.57 0.00 0.00 54.79 57.98 1f6m n ASP 15 Cb 0.77 -0.50 -0.00 0.00 1.84 0.00 0.00 41.12 43.23 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 0.00 -0.55 2.53 2.07 -1.18 -3.34 116.25 115.78 1f6m h VAL 16 Ca 0.00 -0.57 0.16 0.00 0.82 0.00 0.00 66.70 67.11 1f6m h VAL 16 Cb 0.00 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.75 1f6m h VAL 16 CO 0.00 0.00 0.82 0.25 0.02 0.00 0.00 177.57 178.66 1f6m h LEU 17 N -0.61 0.00 -6.25 2.57 5.85 -1.49 -2.82 115.31 112.55 1f6m h LEU 17 Ca -0.00 0.00 -0.54 0.00 0.84 0.00 0.00 57.88 58.17 1f6m h LEU 17 Cb 0.04 0.00 -0.36 0.00 0.37 0.00 0.00 40.66 40.71 1f6m h LEU 17 CO 0.01 0.00 -0.92 -0.54 -0.34 0.00 0.00 178.44 176.65 1f6m s LYS 18 N -4.39 0.89 -0.30 1.25 1.02 -1.02 -3.50 119.74 113.71 1f6m s LYS 18 Ca -0.03 -1.94 -0.04 0.00 0.02 0.00 0.00 55.97 53.97 1f6m s LYS 18 Cb 0.12 -1.27 0.19 0.00 -0.52 0.00 0.00 37.83 36.35 1f6m s LYS 18 CO 0.40 -1.37 0.80 0.00 -0.92 0.00 0.00 175.35 174.26 1f6m s ALA 19 N 0.22 -2.94 0.02 5.17 0.00 -1.20 -4.66 121.76 118.37 1f6m s ALA 19 Ca 0.32 1.45 -0.32 0.00 0.00 0.00 0.00 51.96 53.41 1f6m s ALA 19 Cb 0.02 -2.48 -0.10 0.00 0.00 0.00 0.00 23.12 20.56 1f6m s ALA 19 CO -0.17 -1.63 1.92 -0.40 0.00 0.00 0.00 175.76 175.47 1f6m n ASP 20 N 5.38 3.92 0.00 0.00 5.75 -1.26 -3.81 116.55 126.53 1f6m n ASP 20 Ca 0.01 0.94 0.00 0.00 -0.01 0.00 0.00 54.79 55.73 1f6m n ASP 20 Cb 0.54 -1.48 0.00 0.00 -1.03 0.00 0.00 41.12 39.14 1f6m n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1f6m n GLY 21 N 4.43 3.76 3.62 6.12 0.00 -1.26 -4.90 105.19 116.96 1f6m n GLY 21 Ca 0.20 -1.73 -0.40 0.00 0.00 0.00 0.00 46.02 44.10 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 -2.30 3.59 -0.26 4.61 0.00 -1.25 -3.10 121.76 123.04 1f6m s ALA 22 Ca 0.00 -0.56 0.03 0.00 0.00 0.00 0.00 51.96 51.43 1f6m s ALA 22 Cb 0.00 -2.95 0.06 0.00 0.00 0.00 0.00 23.12 20.23 1f6m s ALA 22 CO 0.00 -0.79 -0.08 -1.50 0.00 0.00 0.00 175.76 173.39 1f6m s ILE 23 N 2.40 2.02 0.34 0.00 2.07 -1.07 -1.93 121.20 125.03 1f6m s ILE 23 Ca 0.23 -1.60 -0.27 0.00 -1.41 0.00 0.00 60.65 57.60 1f6m s ILE 23 Cb -0.16 -2.20 -0.09 0.00 0.13 0.00 0.00 42.46 40.15 1f6m s ILE 23 CO 0.09 -0.10 1.13 -0.22 -1.91 0.00 0.00 174.94 173.93 1f6m s LEU 24 N 1.16 4.35 -0.15 8.50 2.96 -1.07 -2.78 118.68 131.64 1f6m s LEU 24 Ca -0.07 2.29 0.00 0.00 -0.22 0.00 0.00 54.13 56.13 1f6m s LEU 24 Cb -0.20 -3.85 0.03 0.00 0.50 0.00 0.00 46.19 42.67 1f6m s LEU 24 CO -0.06 -0.40 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.76 1f6m s VAL 25 N -1.33 1.49 -0.74 1.68 1.01 0.19 -0.54 120.40 122.15 1f6m s VAL 25 Ca 0.51 -0.66 -0.15 0.00 0.00 0.00 0.00 61.98 61.69 1f6m s VAL 25 Cb -0.30 -1.45 0.19 0.00 0.00 0.00 0.00 36.38 34.81 1f6m s VAL 25 CO 0.39 0.38 0.70 -0.62 0.00 0.00 0.00 175.10 175.94 1f6m s ASP 26 N 1.51 6.58 -0.14 3.32 2.15 -1.03 -0.29 116.67 128.77 1f6m s ASP 26 Ca 0.04 -2.39 -0.29 0.00 0.43 0.00 0.00 52.55 50.33 1f6m s ASP 26 Cb -0.14 -2.22 -0.02 0.00 -0.30 0.00 0.00 42.92 40.25 1f6m s ASP 26 CO -0.10 -0.68 1.32 -0.36 -0.17 0.00 0.00 175.17 175.18 1f6m s PHE 27 N 0.69 2.73 0.34 -5.34 0.40 -0.70 -2.31 117.98 113.79 1f6m s PHE 27 Ca 0.14 0.89 0.05 0.00 -0.60 0.00 0.00 56.93 57.41 1f6m s PHE 27 Cb -0.16 -3.57 -0.02 0.00 0.51 0.00 0.00 43.02 39.78 1f6m s PHE 27 CO -0.05 -2.02 0.19 -2.67 0.70 0.00 0.00 175.22 171.37 1f6m n TRP 28 N 6.61 -0.30 -3.64 0.36 4.27 -0.83 -3.25 117.44 120.67 1f6m n TRP 28 Ca 0.14 -2.46 -0.07 0.00 -3.89 0.00 0.00 57.50 51.23 1f6m n TRP 28 Cb 0.45 0.13 -0.07 0.00 -1.36 0.00 0.00 31.31 30.46 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 -3.12 -1.94 0.65 -1.67 0.00 -1.26 -2.75 121.76 111.67 1f6m s ALA 29 Ca 0.27 2.36 0.20 0.00 0.00 0.00 0.00 51.96 54.79 1f6m s ALA 29 Cb 0.01 -1.46 1.00 0.00 0.00 0.00 0.00 23.12 22.67 1f6m s ALA 29 CO 0.19 -0.37 1.55 1.49 0.00 0.00 0.00 175.76 178.62 1f6m h GLU 30 N 6.69 0.00 0.00 0.00 4.57 -1.99 0.24 114.58 124.10 1f6m h GLU 30 Ca -0.30 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 1f6m h GLU 30 Cb 1.22 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 1f6m h GLU 30 CO 0.16 0.00 -0.82 -2.67 -1.18 0.00 0.00 179.01 174.50 1f6m n TRP 31 N -2.92 0.28 -3.55 0.92 2.14 -1.26 -4.78 117.44 108.27 1f6m n TRP 31 Ca 0.03 0.08 -0.41 0.00 2.07 0.00 0.00 57.50 59.27 1f6m n TRP 31 Cb 0.75 -0.44 -0.10 0.00 -0.81 0.00 0.00 31.31 30.71 1f6m n TRP 31 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1f6m n GLY 33 N 5.02 -3.08 0.22 0.00 0.00 -1.26 -1.54 105.19 104.55 1f6m n GLY 33 Ca -0.11 0.45 0.05 0.00 0.00 0.00 0.00 46.02 46.41 1f6m n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1f6m h PRO 34 N 0.00 0.00 0.68 1.61 0.13 -1.95 -1.31 132.00 131.16 1f6m h PRO 34 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 1f6m h PRO 34 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 1f6m h PRO 34 CO 0.00 0.00 -0.33 0.77 -0.23 0.00 0.00 178.00 178.21 1f6m h SER 35 N 0.00 -0.77 0.25 1.44 0.02 -1.58 -3.05 113.55 109.86 1f6m h SER 35 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1f6m h SER 35 Cb 1.04 0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1f6m h SER 35 CO 0.00 -0.41 0.00 2.29 -1.14 0.00 0.00 176.83 177.57 1f6m n LYS 36 N -5.26 0.39 0.17 3.45 2.85 -0.52 -2.48 118.16 116.76 1f6m n LYS 36 Ca -0.11 0.07 0.13 0.00 -1.05 0.00 0.00 58.31 57.34 1f6m n LYS 36 Cb 0.36 -1.50 0.28 0.00 -0.65 0.00 0.00 35.03 33.52 1f6m n LYS 36 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 177.40 179.33 1f6m h MET 37 N 0.00 0.00 0.00 -1.58 4.05 -1.36 -3.20 114.93 112.83 1f6m h MET 37 Ca 0.00 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.36 1f6m h MET 37 Cb 0.13 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.92 1f6m h MET 37 CO 0.00 0.00 -0.94 0.82 0.23 0.00 0.00 176.91 177.02 1f6m h ILE 38 N 0.00 0.24 -0.52 1.77 2.04 -1.53 -3.37 117.51 116.14 1f6m h ILE 38 Ca 0.00 -1.42 0.10 0.00 1.00 0.00 0.00 64.86 64.54 1f6m h ILE 38 Cb 0.87 1.82 -0.08 0.00 -0.74 0.00 0.00 36.82 38.69 1f6m h ILE 38 CO 0.00 0.14 0.06 0.00 0.00 0.00 0.00 178.15 178.34 1f6m h ALA 39 N 1.78 0.55 -0.88 1.87 0.00 -1.70 -0.09 119.26 120.79 1f6m h ALA 39 Ca -0.05 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1f6m h ALA 39 Cb 1.21 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 1f6m h ALA 39 CO 0.02 -0.35 0.50 -1.35 0.00 0.00 0.00 179.25 178.08 1f6m h PRO 40 N 0.18 1.22 -0.82 0.00 0.11 -1.77 -2.13 132.00 128.79 1f6m h PRO 40 Ca 0.27 -0.13 -0.02 0.00 0.11 0.00 0.00 66.00 66.22 1f6m h PRO 40 Cb 0.39 -0.25 -0.04 0.00 0.11 0.00 0.00 31.00 31.22 1f6m h PRO 40 CO -0.39 0.87 0.42 0.82 -0.21 0.00 0.00 178.00 179.51 1f6m h ILE 41 N 1.22 1.25 -0.42 4.15 2.04 -1.47 -1.42 117.51 122.87 1f6m h ILE 41 Ca 0.31 -0.66 0.01 0.00 1.00 0.00 0.00 64.86 65.52 1f6m h ILE 41 Cb -0.01 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.24 1f6m h ILE 41 CO -0.05 0.29 0.28 -0.07 0.00 0.00 0.00 178.15 178.59 1f6m h LEU 42 N 1.15 0.47 -0.16 1.44 3.38 -0.42 -0.69 115.31 120.47 1f6m h LEU 42 Ca 0.28 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 58.08 1f6m h LEU 42 Cb 0.08 -0.12 0.01 0.00 0.09 0.00 0.00 40.66 40.72 1f6m h LEU 42 CO -0.04 0.34 -0.53 0.44 0.09 0.00 0.00 178.44 178.74 1f6m h ASP 43 N 0.56 0.74 0.54 -0.43 3.45 -0.82 0.57 116.42 121.02 1f6m h ASP 43 Ca 0.15 -0.60 0.00 0.00 0.43 0.00 0.00 57.03 57.01 1f6m h ASP 43 Cb -0.05 -0.22 0.00 0.00 -0.56 0.00 0.00 39.33 38.50 1f6m h ASP 43 CO -0.03 1.22 0.00 -0.33 -1.57 0.00 0.00 179.24 178.52 1f6m h GLU 44 N 0.31 0.00 0.08 3.56 5.08 -0.77 -2.56 114.58 120.28 1f6m h GLU 44 Ca -0.02 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 57.99 1f6m h GLU 44 Cb 1.16 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 1f6m h GLU 44 CO 0.11 0.00 -1.96 -0.89 -1.00 0.00 0.00 179.01 175.27 1f6m n ILE 45 N -2.88 1.72 -0.36 3.13 2.08 -0.31 -4.45 119.36 118.28 1f6m n ILE 45 Ca -0.01 -0.69 0.02 0.00 0.56 0.00 0.00 62.75 62.63 1f6m n ILE 45 Cb 0.19 -1.51 0.08 0.00 -0.75 0.00 0.00 39.64 37.64 1f6m n ILE 45 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1f6m n ALA 46 N -2.90 0.02 0.25 -1.39 0.00 0.20 -1.78 120.51 114.91 1f6m n ALA 46 Ca -0.29 0.99 -0.13 0.00 0.00 0.00 0.00 53.44 54.01 1f6m n ALA 46 Cb 1.05 -0.51 -0.07 0.00 0.00 0.00 0.00 19.45 19.92 1f6m n ALA 46 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1f6m h ASP 47 N 0.00 -0.57 -0.05 0.00 5.19 -1.79 -2.06 116.42 117.13 1f6m h ASP 47 Ca 0.38 -0.06 0.02 0.00 -0.62 0.00 0.00 57.03 56.75 1f6m h ASP 47 Cb 0.62 0.15 -0.00 0.00 0.18 0.00 0.00 39.33 40.28 1f6m h ASP 47 CO -0.97 -0.18 0.26 -0.33 -3.12 0.00 0.00 179.24 174.90 1f6m h GLU 48 N -1.05 0.00 -0.10 3.56 5.08 -1.70 -0.90 114.58 119.46 1f6m h GLU 48 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1f6m h GLU 48 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1f6m h GLU 48 CO 0.11 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.78 1f6m n TYR 49 N -3.10 0.18 -2.17 4.33 4.02 -0.73 -4.97 117.16 114.73 1f6m n TYR 49 Ca -0.01 -0.63 -0.39 0.00 -0.01 0.00 0.00 57.90 56.86 1f6m n TYR 49 Cb 0.33 -0.09 -0.03 0.00 -0.02 0.00 0.00 39.34 39.53 1f6m n TYR 49 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 1f6m s GLN 50 N -1.51 2.78 0.00 -0.72 0.74 -0.35 -0.03 119.66 120.58 1f6m s GLN 50 Ca 0.15 0.42 0.00 0.00 0.05 0.00 0.00 55.36 55.98 1f6m s GLN 50 Cb 0.11 -4.33 0.00 0.00 1.10 0.00 0.00 33.01 29.89 1f6m s GLN 50 CO 0.05 -2.57 0.00 0.41 -0.55 0.00 0.00 175.29 172.63 1f6m n GLY 51 N 5.61 1.25 0.00 2.59 0.00 -1.26 -4.89 105.19 108.49 1f6m n GLY 51 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1f6m n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1f6m n LYS 52 N 0.00 0.78 -3.63 1.61 4.76 -0.52 -5.08 118.16 116.08 1f6m n LYS 52 Ca 0.00 -0.01 -0.11 0.00 -2.87 0.00 0.00 58.31 55.32 1f6m n LYS 52 Cb 0.00 -1.03 -0.05 0.00 -1.84 0.00 0.00 35.03 32.11 1f6m n LYS 52 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1f6m s LEU 53 N -3.29 0.39 -0.30 -0.35 2.96 0.96 -4.31 118.68 114.73 1f6m s LEU 53 Ca -0.01 -0.27 -0.02 0.00 -0.22 0.00 0.00 54.13 53.62 1f6m s LEU 53 Cb 0.01 1.83 0.10 0.00 0.50 0.00 0.00 46.19 48.63 1f6m s LEU 53 CO 0.06 -0.83 0.11 -0.89 -1.32 0.00 0.00 176.35 173.48 1f6m s THR 54 N -3.61 0.58 0.05 3.68 2.01 -0.81 -4.31 115.64 113.22 1f6m s THR 54 Ca 0.02 -1.19 -0.30 0.00 0.31 0.00 0.00 61.69 60.53 1f6m s THR 54 Cb 0.01 -1.45 -0.08 0.00 0.01 0.00 0.00 72.50 71.00 1f6m s THR 54 CO -0.11 -0.68 1.73 -0.69 -0.69 0.00 0.00 174.62 174.18 1f6m s VAL 55 N 1.77 3.07 -0.19 3.82 1.01 -1.26 -2.61 120.40 126.00 1f6m s VAL 55 Ca 0.09 0.40 -0.02 0.00 0.00 0.00 0.00 61.98 62.45 1f6m s VAL 55 Cb -0.17 -3.25 0.06 0.00 0.00 0.00 0.00 36.38 33.01 1f6m s VAL 55 CO -0.29 -0.01 0.01 0.00 0.00 0.00 0.00 175.10 174.81 1f6m s ALA 56 N 3.19 1.20 0.58 5.51 0.00 0.30 -3.14 121.76 129.40 1f6m s ALA 56 Ca 0.77 -0.80 -0.14 0.00 0.00 0.00 0.00 51.96 51.79 1f6m s ALA 56 Cb -0.40 -1.20 -0.05 0.00 0.00 0.00 0.00 23.12 21.47 1f6m s ALA 56 CO 0.34 -1.12 1.02 0.15 0.00 0.00 0.00 175.76 176.14 1f6m s LYS 57 N 1.76 3.65 -0.15 0.00 1.02 -0.84 -2.45 119.74 122.74 1f6m s LYS 57 Ca -0.01 0.91 -0.04 0.00 0.02 0.00 0.00 55.97 56.84 1f6m s LYS 57 Cb -0.17 -2.09 0.07 0.00 -0.52 0.00 0.00 37.83 35.12 1f6m s LYS 57 CO -0.07 -0.52 0.26 -1.17 -0.92 0.00 0.00 175.35 172.92 1f6m s LEU 58 N -4.67 -0.27 -0.61 3.17 0.20 -0.98 -2.35 118.68 113.17 1f6m s LEU 58 Ca 0.58 0.39 -0.20 0.00 0.69 0.00 0.00 54.13 55.59 1f6m s LEU 58 Cb -0.11 0.64 0.09 0.00 -0.43 0.00 0.00 46.19 46.38 1f6m s LEU 58 CO 0.43 -0.26 0.78 0.21 -0.29 0.00 0.00 176.35 177.22 1f6m s ASN 59 N 2.40 6.18 0.00 3.68 3.04 -1.26 -1.96 114.94 127.02 1f6m s ASN 59 Ca 0.03 -1.28 0.16 0.00 0.04 0.00 0.00 52.86 51.82 1f6m s ASN 59 Cb -0.13 -2.34 0.72 0.00 -1.54 0.00 0.00 41.25 37.97 1f6m s ASN 59 CO -0.10 -1.21 1.52 2.30 -3.04 0.00 0.00 177.10 176.58 1f6m n ILE 60 N 5.66 0.82 0.27 -5.21 -5.35 -1.11 -1.21 119.36 113.23 1f6m n ILE 60 Ca -0.08 0.20 0.12 0.00 -0.27 0.00 0.00 62.75 62.73 1f6m n ILE 60 Cb 0.43 -0.92 0.77 0.00 -1.74 0.00 0.00 39.64 38.18 1f6m n ILE 60 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 1f6m h ASP 61 N 0.00 0.00 0.00 7.28 1.82 -1.90 -2.88 116.42 120.75 1f6m h ASP 61 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1f6m h ASP 61 Cb 0.26 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.27 1f6m h ASP 61 CO 0.00 0.05 -0.42 0.00 -1.61 0.00 0.00 179.24 177.27 1f6m n GLN 62 N -3.99 0.15 -3.15 0.28 10.64 -0.93 -4.93 117.38 115.46 1f6m n GLN 62 Ca -0.03 -1.14 -0.17 0.00 -1.83 0.00 0.00 57.00 53.83 1f6m n GLN 62 Cb 0.14 -0.61 -0.05 0.00 -0.86 0.00 0.00 30.24 28.86 1f6m n GLN 62 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 1f6m s ASN 63 N -1.15 0.26 -0.04 2.61 0.01 -0.35 -4.90 114.94 111.38 1f6m s ASN 63 Ca 0.03 -2.36 -0.18 0.00 -0.71 0.00 0.00 52.86 49.64 1f6m s ASN 63 Cb 0.03 0.60 -0.13 0.00 0.41 0.00 0.00 41.25 42.17 1f6m s ASN 63 CO 0.00 -0.14 0.77 1.55 -1.51 0.00 0.00 177.10 177.78 1f6m h PRO 64 N 5.58 -0.33 -0.30 -0.60 0.13 -1.85 -3.34 132.00 131.29 1f6m h PRO 64 Ca 0.16 0.02 0.03 0.00 -0.87 0.00 0.00 66.00 65.34 1f6m h PRO 64 Cb 1.01 0.07 -0.04 0.00 0.13 0.00 0.00 31.00 32.18 1f6m h PRO 64 CO 0.21 -0.01 -0.18 0.41 -0.23 0.00 0.00 178.00 178.20 1f6m n GLY 65 N 0.52 -1.18 0.00 1.56 0.00 -1.26 -2.94 105.19 101.89 1f6m n GLY 65 Ca -0.07 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1f6m n GLY 65 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1f6m n THR 66 N -3.93 0.00 -0.34 2.61 -1.04 -1.26 -3.49 114.28 106.83 1f6m n THR 66 Ca 0.01 1.47 -0.09 0.00 -2.04 0.00 0.00 64.05 63.40 1f6m n THR 66 Cb 0.08 -2.07 -0.08 0.00 -1.82 0.00 0.00 70.33 66.44 1f6m n THR 66 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1f6m n ALA 67 N -2.70 -0.52 -0.24 2.41 0.00 -1.15 -1.52 120.51 116.79 1f6m n ALA 67 Ca 0.00 0.69 0.03 0.00 0.00 0.00 0.00 53.44 54.16 1f6m n ALA 67 Cb 0.00 -0.07 0.13 0.00 0.00 0.00 0.00 19.45 19.51 1f6m n ALA 67 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1f6m h PRO 68 N 0.00 0.10 -1.41 0.00 0.11 -1.69 -1.42 132.00 127.69 1f6m h PRO 68 Ca 0.13 -0.01 0.42 0.00 0.11 0.00 0.00 66.00 66.65 1f6m h PRO 68 Cb 0.33 -0.02 -0.09 0.00 0.11 0.00 0.00 31.00 31.34 1f6m h PRO 68 CO -0.76 0.07 0.98 0.87 -0.21 0.00 0.00 178.00 178.94 1f6m h LYS 69 N 0.10 0.08 -0.35 1.05 1.79 -1.31 0.58 116.57 118.51 1f6m h LYS 69 Ca 0.37 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 1f6m h LYS 69 Cb 0.63 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 1f6m h LYS 69 CO -0.62 0.05 0.00 0.66 -1.08 0.00 0.00 179.45 178.47 1f6m n TYR 70 N -4.32 0.68 -3.43 -1.35 4.02 -0.55 -4.98 117.16 107.22 1f6m n TYR 70 Ca 0.34 -0.61 -0.20 0.00 -0.01 0.00 0.00 57.90 57.41 1f6m n TYR 70 Cb 1.45 -0.12 0.07 0.00 -0.02 0.00 0.00 39.34 40.72 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 0.30 -0.34 3.38 2.72 0.00 0.20 -4.95 105.19 106.50 1f6m n GLY 71 Ca 0.16 0.12 -0.45 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.28 4.90 -0.61 -0.61 1.01 -1.10 -4.89 121.20 116.62 1f6m s ILE 72 Ca 0.47 -1.27 0.02 0.00 0.00 0.00 0.00 60.65 59.87 1f6m s ILE 72 Cb -0.21 -4.54 0.39 0.00 0.01 0.00 0.00 42.46 38.11 1f6m s ILE 72 CO 0.63 -1.19 1.44 0.54 0.00 0.00 0.00 174.94 176.37 1f6m n ARG 73 N 6.09 3.26 -3.62 2.79 3.00 -1.26 -4.64 116.66 122.29 1f6m n ARG 73 Ca -0.01 -4.20 -0.07 0.00 -0.01 0.00 0.00 57.85 53.57 1f6m n ARG 73 Cb 0.44 -2.26 -0.05 0.00 0.00 0.00 0.00 32.46 30.58 1f6m n ARG 73 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1f6m s GLY 74 N -2.60 -0.05 -0.05 -0.13 0.00 -1.26 -5.18 107.32 98.05 1f6m s GLY 74 Ca 0.49 2.61 -0.09 0.00 0.00 0.00 0.00 44.72 47.73 1f6m s GLY 74 CO -0.26 1.33 0.22 -0.26 0.00 0.00 0.00 173.10 174.12 1f6m s ILE 75 N -0.68 0.03 0.38 0.90 -4.36 -1.26 -4.13 121.20 112.08 1f6m s ILE 75 Ca 0.04 -0.28 -0.23 0.00 -0.26 0.00 0.00 60.65 59.91 1f6m s ILE 75 Cb -0.02 -0.41 -0.10 0.00 1.25 0.00 0.00 42.46 43.18 1f6m s ILE 75 CO -0.05 -0.15 0.96 -2.16 0.24 0.00 0.00 174.94 173.77 1f6m s PRO 76 N -0.56 4.38 -0.06 0.37 0.04 -1.26 -4.76 135.00 133.14 1f6m s PRO 76 Ca -0.07 1.25 0.01 0.00 0.04 0.00 0.00 61.00 62.23 1f6m s PRO 76 Cb -0.04 -2.48 0.02 0.00 0.04 0.00 0.00 34.50 32.04 1f6m s PRO 76 CO 0.01 0.09 -0.08 0.99 0.04 0.00 0.00 177.00 178.05 1f6m s THR 77 N -1.88 0.86 -0.16 1.26 2.01 -1.20 -0.23 115.64 116.30 1f6m s THR 77 Ca 0.56 -0.30 -0.06 0.00 0.31 0.00 0.00 61.69 62.20 1f6m s THR 77 Cb -0.14 -0.83 -0.04 0.00 0.01 0.00 0.00 72.50 71.50 1f6m s THR 77 CO 0.19 0.30 0.06 -0.76 -0.69 0.00 0.00 174.62 173.72 1f6m s LEU 78 N 0.90 3.82 -0.20 4.42 1.43 0.46 -1.72 118.68 127.79 1f6m s LEU 78 Ca -0.11 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1f6m s LEU 78 Cb -0.15 -1.95 0.02 0.00 0.03 0.00 0.00 46.19 44.15 1f6m s LEU 78 CO 0.01 0.24 -0.15 -0.76 0.23 0.00 0.00 176.35 175.91 1f6m s LEU 79 N -0.01 2.51 -0.47 1.79 1.02 0.60 -1.44 118.68 122.68 1f6m s LEU 79 Ca 0.06 -0.74 -0.17 0.00 0.02 0.00 0.00 54.13 53.29 1f6m s LEU 79 Cb -0.12 -1.54 0.05 0.00 0.02 0.00 0.00 46.19 44.60 1f6m s LEU 79 CO 0.01 -0.04 0.49 -0.22 0.02 0.00 0.00 176.35 176.61 1f6m s LEU 80 N 1.29 5.11 0.30 1.79 2.96 0.16 0.53 118.68 130.82 1f6m s LEU 80 Ca 0.03 -0.94 -0.06 0.00 -0.22 0.00 0.00 54.13 52.93 1f6m s LEU 80 Cb -0.14 -2.35 -0.06 0.00 0.50 0.00 0.00 46.19 44.14 1f6m s LEU 80 CO -0.10 -0.71 0.58 -0.36 -1.32 0.00 0.00 176.35 174.45 1f6m s PHE 81 N 2.17 3.47 -0.31 5.38 0.08 -1.12 -1.16 117.98 126.50 1f6m s PHE 81 Ca 0.11 0.74 -0.01 0.00 0.12 0.00 0.00 56.93 57.88 1f6m s PHE 81 Cb -0.20 -2.18 0.13 0.00 -0.57 0.00 0.00 43.02 40.20 1f6m s PHE 81 CO 0.11 0.15 0.24 0.15 -0.10 0.00 0.00 175.22 175.77 1f6m s LYS 82 N -3.48 0.34 -0.80 0.44 1.02 -0.30 -2.60 119.74 114.37 1f6m s LYS 82 Ca 0.46 -0.49 -0.01 0.00 0.02 0.00 0.00 55.97 55.95 1f6m s LYS 82 Cb -0.11 -0.90 -0.01 0.00 -0.52 0.00 0.00 37.83 36.30 1f6m s LYS 82 CO 0.29 -1.07 0.67 0.09 -0.92 0.00 0.00 175.35 174.41 1f6m n ASN 83 N 5.02 -2.53 -3.49 2.83 3.02 -1.18 -3.53 115.26 115.40 1f6m n ASN 83 Ca -0.00 -0.43 -0.23 0.00 -0.03 0.00 0.00 54.58 53.88 1f6m n ASN 83 Cb 0.44 -3.67 0.05 0.00 -0.61 0.00 0.00 39.78 35.99 1f6m n ASN 83 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1f6m n GLY 84 N -1.13 -1.08 3.61 7.41 0.00 -1.07 -4.78 105.19 108.16 1f6m n GLY 84 Ca -0.17 0.51 -0.01 0.00 0.00 0.00 0.00 46.02 46.35 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 -5.19 0.54 -0.13 1.61 2.56 -1.23 -4.80 118.70 112.07 1f6m s GLU 85 Ca 0.43 1.32 -0.29 0.00 0.00 0.00 0.00 54.97 56.43 1f6m s GLU 85 Cb -0.12 0.75 -0.05 0.00 2.00 0.00 0.00 34.13 36.71 1f6m s GLU 85 CO 0.81 -0.18 1.80 0.08 -0.56 0.00 0.00 175.26 177.21 1f6m s VAL 86 N 2.72 3.41 -0.09 3.70 1.01 -1.26 -1.15 120.40 128.73 1f6m s VAL 86 Ca -0.06 0.47 0.15 0.00 0.00 0.00 0.00 61.98 62.54 1f6m s VAL 86 Cb -0.10 -3.38 -0.22 0.00 0.00 0.00 0.00 36.38 32.67 1f6m s VAL 86 CO -0.19 -0.13 0.19 0.00 0.00 0.00 0.00 175.10 174.97 1f6m n ALA 87 N 8.50 2.07 -3.57 5.51 0.00 -0.30 -4.95 120.51 127.76 1f6m n ALA 87 Ca 0.21 -0.74 -0.12 0.00 0.00 0.00 0.00 53.44 52.79 1f6m n ALA 87 Cb 0.44 -0.30 -0.06 0.00 0.00 0.00 0.00 19.45 19.53 1f6m n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1f6m s ALA 88 N -2.72 -1.90 -0.01 0.00 0.00 -1.13 -5.01 121.76 110.99 1f6m s ALA 88 Ca -0.07 1.58 -0.02 0.00 0.00 0.00 0.00 51.96 53.46 1f6m s ALA 88 Cb 0.07 -0.68 -0.00 0.00 0.00 0.00 0.00 23.12 22.51 1f6m s ALA 88 CO 0.66 -0.31 0.04 0.95 0.00 0.00 0.00 175.76 177.09 1f6m s THR 89 N -0.92 0.03 -0.07 0.00 -4.23 -1.26 0.38 115.64 109.58 1f6m s THR 89 Ca -0.03 -0.27 0.04 0.00 -1.18 0.00 0.00 61.69 60.24 1f6m s THR 89 Cb -0.01 -0.15 0.00 0.00 1.34 0.00 0.00 72.50 73.68 1f6m s THR 89 CO 0.02 -0.15 -0.17 -0.75 -0.54 0.00 0.00 174.62 173.03 1f6m s LYS 90 N -0.45 2.11 0.05 3.99 2.36 -0.52 -4.95 119.74 122.33 1f6m s LYS 90 Ca -0.05 -0.62 0.04 0.00 -2.55 0.00 0.00 55.97 52.79 1f6m s LYS 90 Cb -0.03 -1.71 -0.04 0.00 -1.05 0.00 0.00 37.83 35.00 1f6m s LYS 90 CO -0.00 0.16 -0.02 0.08 1.55 0.00 0.00 175.35 177.11 1f6m s VAL 91 N 0.33 3.91 0.00 4.02 1.01 -1.26 -0.40 120.40 128.01 1f6m s VAL 91 Ca -0.11 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 60.99 1f6m s VAL 91 Cb -0.15 -2.80 0.00 0.00 0.00 0.00 0.00 36.38 33.43 1f6m s VAL 91 CO 0.05 0.24 0.00 0.61 0.00 0.00 0.00 175.10 176.00 1f6m n GLY 92 N 1.00 -1.31 3.76 4.51 0.00 0.69 -4.94 105.19 108.90 1f6m n GLY 92 Ca -0.13 -1.55 -0.29 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.16 1.59 0.04 4.61 0.00 -1.26 -4.73 121.76 120.85 1f6m s ALA 93 Ca 0.00 -0.55 -0.28 0.00 0.00 0.00 0.00 51.96 51.12 1f6m s ALA 93 Cb 0.00 -3.03 0.10 0.00 0.00 0.00 0.00 23.12 20.19 1f6m s ALA 93 CO 0.00 -2.45 1.19 -0.48 0.00 0.00 0.00 175.76 174.01 1f6m s LEU 94 N -6.15 -0.08 0.38 0.00 0.05 -1.26 -5.13 118.68 106.49 1f6m s LEU 94 Ca 0.65 -0.25 -0.00 0.00 0.05 0.00 0.00 54.13 54.58 1f6m s LEU 94 Cb -0.15 1.62 -0.03 0.00 -2.05 0.00 0.00 46.19 45.58 1f6m s LEU 94 CO 0.54 -0.50 0.60 -0.94 -0.55 0.00 0.00 176.35 175.50 1f6m s SER 95 N -3.07 6.24 0.38 1.48 1.04 -1.26 -4.94 113.70 113.57 1f6m s SER 95 Ca 0.15 0.50 0.14 0.00 0.48 0.00 0.00 55.95 57.22 1f6m s SER 95 Cb 0.02 -2.01 0.97 0.00 0.10 0.00 0.00 66.02 65.11 1f6m s SER 95 CO -0.01 -0.38 1.82 0.50 0.98 0.00 0.00 173.24 176.15 1f6m h LYS 96 N 0.64 0.51 -0.17 4.02 3.64 -1.99 0.75 116.57 123.98 1f6m h LYS 96 Ca -0.49 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 58.72 1f6m h LYS 96 Cb 1.22 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 1f6m h LYS 96 CO 0.61 0.34 -0.49 0.78 -2.27 0.00 0.00 179.45 178.42 1f6m h GLY 97 N 0.52 0.48 2.00 5.01 0.00 -1.98 -1.02 103.07 108.08 1f6m h GLY 97 Ca 0.52 -0.52 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 1f6m h GLY 97 CO -0.25 0.47 -0.56 1.46 0.00 0.00 0.00 176.54 177.66 1f6m h GLN 98 N 0.35 0.00 0.06 4.80 4.20 -1.28 -1.56 115.11 121.68 1f6m h GLN 98 Ca 0.02 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.44 1f6m h GLN 98 Cb 0.99 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.79 1f6m h GLN 98 CO 0.09 0.56 -1.15 1.25 -0.67 0.00 0.00 178.83 178.90 1f6m h LEU 99 N 0.00 0.89 -1.09 1.46 5.85 -1.08 -2.29 115.31 119.04 1f6m h LEU 99 Ca -0.01 -0.77 -0.08 0.00 0.84 0.00 0.00 57.88 57.86 1f6m h LEU 99 Cb 1.16 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 1f6m h LEU 99 CO 0.07 1.57 -0.38 0.11 -0.34 0.00 0.00 178.44 179.48 1f6m h LYS 100 N 0.33 0.00 0.00 1.25 1.57 -1.11 0.31 116.57 118.92 1f6m h LYS 100 Ca -0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1f6m h LYS 100 Cb 1.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.13 1f6m h LYS 100 CO 0.22 0.38 0.00 1.05 -0.57 0.00 0.00 179.45 180.53 1f6m h GLU 101 N 0.00 0.00 0.07 3.15 4.11 -1.25 -0.87 114.58 119.79 1f6m h GLU 101 Ca -0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.31 1f6m h GLU 101 Cb 0.81 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.07 1f6m h GLU 101 CO 0.05 0.00 -0.48 0.35 0.07 0.00 0.00 179.01 179.00 1f6m h PHE 102 N 0.00 0.35 -0.30 2.06 3.04 -0.71 -2.68 116.94 118.70 1f6m h PHE 102 Ca 0.00 -0.24 -0.06 0.00 3.98 0.00 0.00 57.97 61.64 1f6m h PHE 102 Cb 0.99 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.47 1f6m h PHE 102 CO 0.00 1.16 -0.06 -0.07 -2.02 0.00 0.00 178.31 177.31 1f6m h LEU 103 N -0.55 0.57 -1.73 0.59 3.38 -0.99 -2.75 115.31 113.83 1f6m h LEU 103 Ca -0.08 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 57.50 1f6m h LEU 103 Cb 1.34 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1f6m h LEU 103 CO 0.09 0.80 -0.17 0.44 0.09 0.00 0.00 178.44 179.69 1f6m h ASP 104 N 0.34 0.00 -0.21 -0.43 5.19 -1.29 0.47 116.42 120.50 1f6m h ASP 104 Ca 0.08 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.36 1f6m h ASP 104 Cb 0.54 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.05 1f6m h ASP 104 CO 0.03 0.17 -0.36 0.00 -3.12 0.00 0.00 179.24 175.96 1f6m h ALA 105 N 1.83 0.32 -1.10 3.45 0.00 -1.24 -3.37 119.26 119.16 1f6m h ALA 105 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1f6m h ALA 105 Cb 0.40 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1f6m h ALA 105 CO 0.02 0.39 0.00 0.09 0.00 0.00 0.00 179.25 179.75 1f6m n ASN 106 N -4.27 0.00 0.24 0.00 3.02 -1.06 -4.66 115.26 108.52 1f6m n ASN 106 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 1f6m n ASN 106 Cb 0.51 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 1f6m n ASN 106 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1f6m n LEU 107 N -2.13 0.00 -0.31 3.41 7.94 0.13 -5.08 117.00 120.96 1f6m n LEU 107 Ca 0.00 0.36 0.15 0.00 -1.11 0.00 0.00 56.01 55.41 1f6m n LEU 107 Cb 0.00 0.00 0.68 0.00 0.53 0.00 0.00 43.42 44.63 1f6m n LEU 107 CO 0.00 -0.36 0.96 0.00 -1.11 0.00 0.00 177.39 176.88