#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fvk s GLN 2 N 0.00 3.40 -0.01 0.00 -0.44 -1.26 -5.12 119.66 116.23 1fvk s GLN 2 Ca 0.00 -0.58 0.06 0.00 -2.50 0.00 0.00 55.36 52.35 1fvk s GLN 2 Cb 0.00 -2.76 -0.02 0.00 -1.64 0.00 0.00 33.01 28.59 1fvk s GLN 2 CO 0.00 0.32 -0.20 0.71 0.50 0.00 0.00 175.29 176.62 1fvk s TYR 3 N 0.12 1.76 -0.04 1.67 2.02 -1.26 -5.04 117.35 116.58 1fvk s TYR 3 Ca -0.03 -0.34 0.05 0.00 -0.37 0.00 0.00 57.07 56.38 1fvk s TYR 3 Cb -0.14 -1.12 -0.01 0.00 -0.40 0.00 0.00 41.96 40.29 1fvk s TYR 3 CO 0.03 -0.02 -0.19 -1.21 -1.57 0.00 0.00 175.55 172.60 1fvk s GLU 4 N -0.53 1.89 0.21 -0.62 2.02 -1.26 -5.05 118.70 115.36 1fvk s GLU 4 Ca 0.07 -0.67 -0.31 0.00 0.02 0.00 0.00 54.97 54.09 1fvk s GLU 4 Cb -0.08 -1.65 -0.10 0.00 0.10 0.00 0.00 34.13 32.41 1fvk s GLU 4 CO -0.01 0.29 1.48 0.34 0.02 0.00 0.00 175.26 177.38 1fvk s ASP 5 N -0.05 6.64 0.00 -0.19 -1.08 -1.26 -1.43 116.67 119.30 1fvk s ASP 5 Ca -0.02 2.64 0.00 0.00 -0.52 0.00 0.00 52.55 54.64 1fvk s ASP 5 Cb -0.11 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.73 1fvk s ASP 5 CO 0.02 -0.74 0.00 0.61 0.52 0.00 0.00 175.17 175.58 1fvk n GLY 6 N 2.77 1.07 0.00 2.66 0.00 0.15 -4.91 105.19 106.92 1fvk n GLY 6 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1fvk n GLY 6 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1fvk n LYS 7 N -2.00 0.00 0.18 1.61 4.81 -0.51 -4.80 118.16 117.44 1fvk n LYS 7 Ca 0.00 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.57 1fvk n LYS 7 Cb 0.00 0.00 0.37 0.00 0.02 0.00 0.00 35.03 35.42 1fvk n LYS 7 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1fvk h GLN 8 N 0.00 0.00 -3.41 1.64 7.50 -1.74 -3.31 115.11 115.79 1fvk h GLN 8 Ca 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.11 1fvk h GLN 8 Cb 0.00 0.00 -0.06 0.00 0.05 0.00 0.00 27.48 27.47 1fvk h GLN 8 CO 0.00 0.00 0.03 1.52 -1.50 0.00 0.00 178.83 178.88 1fvk s TYR 9 N -3.26 0.24 0.06 2.96 1.13 -1.26 -0.44 117.35 116.78 1fvk s TYR 9 Ca 0.07 -0.66 0.01 0.00 -1.41 0.00 0.00 57.07 55.08 1fvk s TYR 9 Cb 0.09 0.41 -0.03 0.00 -1.10 0.00 0.00 41.96 41.32 1fvk s TYR 9 CO 0.59 -1.16 -0.06 0.95 -2.51 0.00 0.00 175.55 173.36 1fvk s THR 10 N -3.65 0.47 -0.11 -3.49 -4.23 0.12 0.30 115.64 105.06 1fvk s THR 10 Ca 0.19 -1.41 -0.06 0.00 -1.18 0.00 0.00 61.69 59.23 1fvk s THR 10 Cb -0.03 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.78 1fvk s THR 10 CO 0.10 -0.63 0.12 -0.89 -0.54 0.00 0.00 174.62 172.78 1fvk s THR 11 N -2.41 5.34 0.29 3.99 2.01 -1.26 -0.98 115.64 122.62 1fvk s THR 11 Ca -0.02 0.12 -0.25 0.00 0.31 0.00 0.00 61.69 61.85 1fvk s THR 11 Cb -0.03 -3.33 -0.09 0.00 0.01 0.00 0.00 72.50 69.06 1fvk s THR 11 CO -0.03 0.60 0.89 -0.76 -0.69 0.00 0.00 174.62 174.62 1fvk s LEU 12 N -1.08 4.37 0.14 4.42 1.43 -0.12 -4.96 118.68 122.89 1fvk s LEU 12 Ca 0.16 1.74 -0.12 0.00 -1.03 0.00 0.00 54.13 54.87 1fvk s LEU 12 Cb -0.12 -3.86 -0.01 0.00 0.03 0.00 0.00 46.19 42.23 1fvk s LEU 12 CO 0.05 -0.02 1.54 1.05 0.23 0.00 0.00 176.35 179.20 1fvk h GLU 13 N 3.34 0.87 -4.05 1.70 -0.00 -1.98 -3.39 114.58 111.06 1fvk h GLU 13 Ca -0.47 -0.34 -0.68 0.00 -0.00 0.00 0.00 59.36 57.87 1fvk h GLU 13 Cb 1.19 -0.04 -0.37 0.00 -0.00 0.00 0.00 28.75 29.53 1fvk h GLU 13 CO 0.65 0.98 -0.53 -1.59 -0.00 0.00 0.00 179.01 178.52 1fvk s LYS 14 N -4.77 2.09 0.08 1.06 -2.85 -1.26 -5.08 119.74 109.02 1fvk s LYS 14 Ca -0.12 -2.19 -0.31 0.00 -1.00 0.00 0.00 55.97 52.35 1fvk s LYS 14 Cb 0.11 -3.53 -0.10 0.00 -2.06 0.00 0.00 37.83 32.25 1fvk s LYS 14 CO 0.84 -1.09 1.91 -2.30 0.10 0.00 0.00 175.35 174.81 1fvk n PRO 15 N 3.94 2.84 -2.49 1.78 -0.02 -1.26 -4.95 135.00 134.85 1fvk n PRO 15 Ca 0.03 1.04 -0.43 0.00 -2.02 0.00 0.00 63.50 62.12 1fvk n PRO 15 Cb 0.39 -2.97 -0.02 0.00 -0.02 0.00 0.00 33.50 30.88 1fvk n PRO 15 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1fvk s VAL 16 N 3.61 4.39 0.27 -1.45 1.01 -0.73 -5.01 120.40 122.49 1fvk s VAL 16 Ca 0.85 1.68 -0.29 0.00 0.00 0.00 0.00 61.98 64.23 1fvk s VAL 16 Cb -0.46 -4.09 -0.09 0.00 0.00 0.00 0.00 36.38 31.75 1fvk s VAL 16 CO 0.40 -0.14 0.95 0.00 0.00 0.00 0.00 175.10 176.31 1fvk s ALA 17 N 3.37 3.29 -0.32 5.51 0.00 -1.26 -3.65 121.76 128.71 1fvk s ALA 17 Ca 0.52 0.61 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1fvk s ALA 17 Cb -0.20 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.71 1fvk s ALA 17 CO 0.13 0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.46 1fvk n GLY 18 N 1.14 0.53 3.79 0.00 0.00 -1.26 -5.00 105.19 104.39 1fvk n GLY 18 Ca -0.00 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 1fvk n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fvk s ALA 19 N -1.77 2.83 0.67 4.61 0.00 -1.24 -4.99 121.76 121.87 1fvk s ALA 19 Ca 0.00 0.67 -0.17 0.00 0.00 0.00 0.00 51.96 52.46 1fvk s ALA 19 Cb 0.00 -3.28 -0.00 0.00 0.00 0.00 0.00 23.12 19.83 1fvk s ALA 19 CO 0.00 -0.44 1.16 -2.30 0.00 0.00 0.00 175.76 174.19 1fvk n PRO 20 N -1.04 0.86 -0.06 0.00 -0.02 -1.26 -4.68 135.00 128.80 1fvk n PRO 20 Ca 0.10 0.35 -0.08 0.00 -2.02 0.00 0.00 63.50 61.85 1fvk n PRO 20 Cb 0.52 -2.40 -0.01 0.00 -0.02 0.00 0.00 33.50 31.59 1fvk n PRO 20 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1fvk h GLN 21 N 0.22 -0.20 -4.21 -0.52 4.20 -1.92 -3.35 115.11 109.33 1fvk h GLN 21 Ca -0.49 0.01 -0.57 0.00 0.06 0.00 0.00 58.65 57.66 1fvk h GLN 21 Cb 1.34 0.04 -0.38 0.00 0.30 0.00 0.00 27.48 28.79 1fvk h GLN 21 CO 0.51 -0.13 -0.79 0.08 -0.67 0.00 0.00 178.83 177.82 1fvk s VAL 22 N -6.11 1.23 -0.17 -0.54 1.01 -1.22 0.18 120.40 114.79 1fvk s VAL 22 Ca -0.15 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1fvk s VAL 22 Cb 0.12 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 35.07 1fvk s VAL 22 CO 0.68 0.05 -0.15 -0.22 0.00 0.00 0.00 175.10 175.46 1fvk s LEU 23 N 1.57 2.42 -0.07 3.92 2.96 0.21 -0.83 118.68 128.85 1fvk s LEU 23 Ca -0.01 -0.51 0.03 0.00 -0.22 0.00 0.00 54.13 53.42 1fvk s LEU 23 Cb -0.16 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 44.95 1fvk s LEU 23 CO -0.07 0.05 -0.17 -0.70 -1.32 0.00 0.00 176.35 174.14 1fvk s GLU 24 N 1.00 2.73 -0.02 1.98 2.12 0.35 -0.00 118.70 126.86 1fvk s GLU 24 Ca -0.02 -0.75 0.05 0.00 0.36 0.00 0.00 54.97 54.61 1fvk s GLU 24 Cb -0.15 -2.38 -0.03 0.00 0.26 0.00 0.00 34.13 31.84 1fvk s GLU 24 CO -0.03 0.45 -0.16 -0.06 -0.54 0.00 0.00 175.26 174.92 1fvk s PHE 25 N -0.30 2.63 0.31 5.30 0.08 -0.11 -0.31 117.98 125.58 1fvk s PHE 25 Ca 0.02 -0.21 -0.11 0.00 0.12 0.00 0.00 56.93 56.75 1fvk s PHE 25 Cb -0.13 -1.57 0.01 0.00 -0.57 0.00 0.00 43.02 40.77 1fvk s PHE 25 CO 0.03 0.19 0.57 -0.59 -0.10 0.00 0.00 175.22 175.31 1fvk s PHE 26 N -0.78 0.48 -0.06 0.36 -0.71 -0.59 -2.60 117.98 114.08 1fvk s PHE 26 Ca 0.12 -0.88 -0.06 0.00 -1.04 0.00 0.00 56.93 55.07 1fvk s PHE 26 Cb -0.11 0.30 0.02 0.00 -1.21 0.00 0.00 43.02 42.02 1fvk s PHE 26 CO 0.02 -1.19 0.16 0.45 -1.34 0.00 0.00 175.22 173.32 1fvk s SER 27 N -3.09 -0.16 0.00 1.98 0.15 -1.26 -1.31 113.70 110.01 1fvk s SER 27 Ca 0.22 0.29 0.14 0.00 0.70 0.00 0.00 55.95 57.31 1fvk s SER 27 Cb -0.02 0.33 0.62 0.00 -1.71 0.00 0.00 66.02 65.23 1fvk s SER 27 CO 0.13 -0.08 1.45 0.49 1.20 0.00 0.00 173.24 176.43 1fvk n PHE 28 N 2.88 0.00 0.83 3.44 3.72 -1.26 -1.86 117.46 125.21 1fvk n PHE 28 Ca -0.13 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.38 1fvk n PHE 28 Cb 0.59 -0.48 0.02 0.00 -0.94 0.00 0.00 39.48 38.67 1fvk n PHE 28 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1fvk n PHE 29 N -1.48 0.08 -2.60 1.38 3.72 -1.26 -4.57 117.46 112.73 1fvk n PHE 29 Ca 0.04 0.02 -0.43 0.00 -0.05 0.00 0.00 57.45 57.03 1fvk n PHE 29 Cb 0.16 -0.22 -0.02 0.00 -0.94 0.00 0.00 39.48 38.46 1fvk n PHE 29 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1fvk h PRO 31 N 9.27 -0.38 0.00 0.00 0.11 -1.90 -1.73 132.00 137.37 1fvk h PRO 31 Ca -0.23 0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.88 1fvk h PRO 31 Cb 1.06 0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1fvk h PRO 31 CO 1.13 -0.25 -0.10 1.25 -0.21 0.00 0.00 178.00 179.82 1fvk h HIS 32 N -0.39 0.00 -0.24 0.65 2.76 -1.92 -1.00 115.15 115.01 1fvk h HIS 32 Ca 0.04 0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 58.06 1fvk h HIS 32 Cb 0.43 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 1fvk h HIS 32 CO -0.22 0.10 -0.45 0.00 -1.30 0.00 0.00 177.93 176.06 1fvk h TYR 34 N 0.49 1.14 -0.09 0.00 3.20 -0.36 -1.62 116.97 119.73 1fvk h TYR 34 Ca 0.03 -0.12 -0.01 0.00 3.14 0.00 0.00 58.73 61.77 1fvk h TYR 34 Cb 0.98 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.91 1fvk h TYR 34 CO 0.04 0.92 0.03 0.37 -1.64 0.00 0.00 178.16 177.88 1fvk h GLN 35 N 1.05 0.14 -0.99 1.82 5.75 -1.04 -0.74 115.11 121.10 1fvk h GLN 35 Ca 0.22 -0.03 0.13 0.00 -0.15 0.00 0.00 58.65 58.82 1fvk h GLN 35 Cb 0.33 -0.02 -0.09 0.00 1.07 0.00 0.00 27.48 28.77 1fvk h GLN 35 CO -0.00 0.30 0.61 0.74 -2.65 0.00 0.00 178.83 177.83 1fvk h PHE 36 N -0.05 1.11 0.07 3.99 -1.00 -0.93 -1.79 116.94 118.34 1fvk h PHE 36 Ca 0.03 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.84 1fvk h PHE 36 Cb 0.22 -0.35 0.00 0.00 3.61 0.00 0.00 35.95 39.43 1fvk h PHE 36 CO -0.00 0.41 -0.04 1.49 -1.61 0.00 0.00 178.31 178.56 1fvk h GLU 37 N 0.95 -0.10 -0.10 1.51 4.57 -1.09 -0.17 114.58 120.15 1fvk h GLU 37 Ca 0.50 0.01 -0.21 0.00 -1.18 0.00 0.00 59.36 58.48 1fvk h GLU 37 Cb 0.53 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 1fvk h GLU 37 CO -0.28 -0.06 -0.78 0.93 -1.18 0.00 0.00 179.01 177.63 1fvk h GLU 38 N -0.67 0.56 0.00 1.92 4.39 -1.20 -3.23 114.58 116.35 1fvk h GLU 38 Ca -0.01 -0.48 -0.16 0.00 0.34 0.00 0.00 59.36 59.05 1fvk h GLU 38 Cb 0.08 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 1fvk h GLU 38 CO 0.02 1.11 -1.40 0.28 -1.16 0.00 0.00 179.01 177.85 1fvk n VAL 39 N -3.87 1.50 0.12 3.13 0.31 -0.84 -4.69 118.33 113.99 1fvk n VAL 39 Ca -0.06 -0.02 -0.01 0.00 -0.01 0.00 0.00 64.34 64.25 1fvk n VAL 39 Cb 0.74 -2.19 0.01 0.00 -0.91 0.00 0.00 33.84 31.49 1fvk n VAL 39 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1fvk h LEU 40 N -1.00 0.00 -1.49 7.52 4.07 -1.48 -3.48 115.31 119.45 1fvk h LEU 40 Ca -0.24 0.00 -0.42 0.00 0.08 0.00 0.00 57.88 57.30 1fvk h LEU 40 Cb 1.13 0.00 0.05 0.00 1.08 0.00 0.00 40.66 42.92 1fvk h LEU 40 CO -0.15 0.67 -0.79 1.41 -1.08 0.00 0.00 178.44 178.50 1fvk n HIS 41 N -3.32 -2.13 -0.06 1.13 8.25 -0.18 -4.89 115.22 114.03 1fvk n HIS 41 Ca 0.01 0.88 -0.07 0.00 -0.26 0.00 0.00 57.72 58.28 1fvk n HIS 41 Cb 0.78 -4.43 -0.01 0.00 1.12 0.00 0.00 29.99 27.45 1fvk n HIS 41 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1fvk h ILE 42 N -2.00 0.62 -0.15 1.59 1.08 -1.54 -1.95 117.51 115.16 1fvk h ILE 42 Ca -0.60 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 63.91 1fvk h ILE 42 Cb 1.36 0.62 -0.04 0.00 -3.07 0.00 0.00 36.82 35.69 1fvk h ILE 42 CO 0.58 0.00 -0.10 0.28 -0.69 0.00 0.00 178.15 178.23 1fvk h SER 43 N -0.09 -0.31 -0.38 1.72 0.02 -1.91 -0.26 113.55 112.35 1fvk h SER 43 Ca 0.13 0.07 0.05 0.00 -0.84 0.00 0.00 61.79 61.20 1fvk h SER 43 Cb 0.29 0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.95 1fvk h SER 43 CO -0.31 -0.13 0.10 0.44 -1.14 0.00 0.00 176.83 175.79 1fvk h ASP 44 N -0.09 0.07 -0.51 3.07 3.32 -1.88 -0.57 116.42 119.84 1fvk h ASP 44 Ca 0.09 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 1fvk h ASP 44 Cb 0.23 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1fvk h ASP 44 CO -0.21 0.08 0.11 0.78 -1.72 0.00 0.00 179.24 178.28 1fvk h ASN 45 N 0.24 0.82 -0.51 6.45 2.35 -0.96 -1.78 115.58 122.20 1fvk h ASN 45 Ca 0.18 -0.16 -0.08 0.00 -0.55 0.00 0.00 56.30 55.68 1fvk h ASN 45 Cb 0.18 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1fvk h ASN 45 CO -0.21 0.82 -0.00 0.58 -1.65 0.00 0.00 177.43 176.97 1fvk h VAL 46 N 0.84 1.26 -0.46 2.81 2.07 -0.44 -3.00 116.25 119.33 1fvk h VAL 46 Ca 0.18 -1.09 0.01 0.00 0.82 0.00 0.00 66.70 66.62 1fvk h VAL 46 Cb 0.34 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1fvk h VAL 46 CO 0.00 0.38 0.29 0.11 0.02 0.00 0.00 177.57 178.37 1fvk h LYS 47 N 0.76 0.56 -0.24 1.57 6.56 -0.71 -2.28 116.57 122.79 1fvk h LYS 47 Ca 0.14 -0.03 0.07 0.00 -1.06 0.00 0.00 60.65 59.77 1fvk h LYS 47 Cb 0.53 -0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 32.05 1fvk h LYS 47 CO 0.03 0.37 0.22 0.87 -2.06 0.00 0.00 179.45 178.88 1fvk h LYS 48 N 0.58 0.00 -0.01 3.15 1.57 -1.19 -2.27 116.57 118.40 1fvk h LYS 48 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1fvk h LYS 48 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1fvk h LYS 48 CO -0.06 0.00 -0.34 1.63 -0.57 0.00 0.00 179.45 180.11 1fvk n LYS 49 N -4.02 1.57 -2.35 3.15 5.02 -0.93 -4.99 118.16 115.60 1fvk n LYS 49 Ca 0.03 -0.92 -0.40 0.00 -2.02 0.00 0.00 58.31 55.00 1fvk n LYS 49 Cb 0.36 -1.33 -0.03 0.00 -0.02 0.00 0.00 35.03 34.01 1fvk n LYS 49 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1fvk s LEU 50 N -2.10 4.46 1.17 -0.35 1.43 -0.86 -4.84 118.68 117.60 1fvk s LEU 50 Ca 0.15 2.40 -0.17 0.00 -1.03 0.00 0.00 54.13 55.48 1fvk s LEU 50 Cb 0.14 -3.70 0.27 0.00 0.03 0.00 0.00 46.19 42.94 1fvk s LEU 50 CO 0.43 -0.33 1.07 -2.16 0.23 0.00 0.00 176.35 175.59 1fvk s PRO 51 N -1.68 -0.92 0.24 1.29 0.04 -1.26 -4.96 135.00 127.75 1fvk s PRO 51 Ca 0.48 0.24 -0.30 0.00 0.04 0.00 0.00 61.00 61.45 1fvk s PRO 51 Cb -0.34 -1.60 -0.10 0.00 0.04 0.00 0.00 34.50 32.50 1fvk s PRO 51 CO 0.44 -3.57 1.37 -1.83 0.04 0.00 0.00 177.00 173.45 1fvk s GLU 52 N -5.11 4.33 0.00 4.56 1.03 -1.26 -3.17 118.70 119.08 1fvk s GLU 52 Ca 0.69 2.19 0.00 0.00 0.03 0.00 0.00 54.97 57.88 1fvk s GLU 52 Cb -0.15 -3.14 0.00 0.00 -0.80 0.00 0.00 34.13 30.04 1fvk s GLU 52 CO 0.58 -0.32 0.00 0.41 -1.33 0.00 0.00 175.26 174.60 1fvk n GLY 53 N 2.11 0.77 3.66 -3.83 0.00 -1.26 -5.04 105.19 101.61 1fvk n GLY 53 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1fvk n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fvk s VAL 54 N -2.82 5.15 0.04 1.61 1.01 -1.19 -5.09 120.40 119.11 1fvk s VAL 54 Ca 0.00 0.10 0.05 0.00 0.00 0.00 0.00 61.98 62.13 1fvk s VAL 54 Cb 0.00 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 1fvk s VAL 54 CO 0.00 0.41 -0.07 -0.75 0.00 0.00 0.00 175.10 174.69 1fvk s LYS 55 N 0.67 2.43 -0.20 2.72 2.20 -1.26 -4.92 119.74 121.38 1fvk s LYS 55 Ca 0.06 -0.82 -0.09 0.00 -0.36 0.00 0.00 55.97 54.76 1fvk s LYS 55 Cb -0.12 -2.45 -0.05 0.00 -1.51 0.00 0.00 37.83 33.70 1fvk s LYS 55 CO 0.01 0.57 0.10 -1.64 -0.36 0.00 0.00 175.35 174.03 1fvk s MET 56 N -1.76 4.10 -0.09 4.03 -1.94 -1.26 -3.37 119.30 119.00 1fvk s MET 56 Ca 0.20 -0.27 0.03 0.00 -1.71 0.00 0.00 55.69 53.93 1fvk s MET 56 Cb -0.11 -3.34 -0.02 0.00 2.01 0.00 0.00 34.83 33.37 1fvk s MET 56 CO 0.11 0.27 -0.17 0.99 -0.01 0.00 0.00 175.02 176.21 1fvk s THR 57 N 0.41 2.79 -0.15 2.05 2.01 -0.01 -5.03 115.64 117.71 1fvk s THR 57 Ca 0.06 -0.79 0.00 0.00 0.31 0.00 0.00 61.69 61.28 1fvk s THR 57 Cb -0.12 -2.11 0.02 0.00 0.01 0.00 0.00 72.50 70.31 1fvk s THR 57 CO -0.01 0.56 -0.15 -0.75 -0.69 0.00 0.00 174.62 173.59 1fvk s LYS 58 N -0.12 2.35 0.11 4.92 2.20 -1.26 -0.50 119.74 127.44 1fvk s LYS 58 Ca -0.02 -0.59 0.08 0.00 -0.36 0.00 0.00 55.97 55.08 1fvk s LYS 58 Cb -0.14 -2.15 -0.04 0.00 -1.51 0.00 0.00 37.83 33.99 1fvk s LYS 58 CO 0.04 -0.24 -0.14 0.71 -0.36 0.00 0.00 175.35 175.36 1fvk s TYR 59 N 1.47 2.64 0.04 4.03 2.02 0.58 -4.97 117.35 123.16 1fvk s TYR 59 Ca 0.05 -0.21 -0.05 0.00 -0.37 0.00 0.00 57.07 56.49 1fvk s TYR 59 Cb -0.13 -1.40 -0.05 0.00 -0.40 0.00 0.00 41.96 39.99 1fvk s TYR 59 CO -0.11 0.40 0.29 -1.58 -1.57 0.00 0.00 175.55 172.98 1fvk s HIS 60 N -1.17 3.55 0.26 2.71 2.46 -1.26 -1.55 115.29 120.29 1fvk s HIS 60 Ca 0.19 0.54 0.07 0.00 0.47 0.00 0.00 55.06 56.33 1fvk s HIS 60 Cb -0.11 -1.97 -0.03 0.00 -0.13 0.00 0.00 32.58 30.34 1fvk s HIS 60 CO 0.12 0.57 0.21 0.14 -2.47 0.00 0.00 174.74 173.31 1fvk s VAL 61 N -1.40 4.42 -0.08 0.89 -7.23 -0.43 -4.81 120.40 111.76 1fvk s VAL 61 Ca 0.31 -1.38 0.14 0.00 -1.81 0.00 0.00 61.98 59.24 1fvk s VAL 61 Cb -0.13 -3.41 -0.23 0.00 0.56 0.00 0.00 36.38 33.16 1fvk s VAL 61 CO 0.19 -0.34 0.52 0.59 -0.31 0.00 0.00 175.10 175.76 1fvk n ASN 62 N -1.21 0.68 -0.16 4.85 3.02 -1.26 -4.60 115.26 116.58 1fvk n ASN 62 Ca -0.07 0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 1fvk n ASN 62 Cb 0.58 0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.92 1fvk n ASN 62 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1fvk n PHE 63 N -2.98 0.00 -4.40 3.10 1.16 -1.26 -4.41 117.46 108.67 1fvk n PHE 63 Ca -0.21 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.18 1fvk n PHE 63 Cb 1.08 -0.01 -0.15 0.00 -1.61 0.00 0.00 39.48 38.79 1fvk n PHE 63 CO 0.00 0.00 0.00 -1.64 -1.87 0.00 0.00 176.76 173.25 1fvk s MET 64 N -1.68 0.79 0.00 3.97 -1.94 -1.26 -4.82 119.30 114.36 1fvk s MET 64 Ca 0.00 -0.34 0.00 0.00 -1.71 0.00 0.00 55.69 53.64 1fvk s MET 64 Cb 0.00 -0.76 0.00 0.00 2.01 0.00 0.00 34.83 36.08 1fvk s MET 64 CO 0.00 0.20 0.00 0.41 -0.01 0.00 0.00 175.02 175.62 1fvk n GLY 65 N 2.87 0.41 7.00 -0.03 0.00 -1.26 -3.73 105.19 110.45 1fvk n GLY 65 Ca -0.14 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1fvk n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fvk n GLY 66 N -3.00 2.24 0.29 -0.02 0.00 -1.26 -2.83 105.19 100.60 1fvk n GLY 66 Ca 0.00 -0.51 0.17 0.00 0.00 0.00 0.00 46.02 45.68 1fvk n GLY 66 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1fvk h ASP 67 N 9.65 0.00 0.53 1.61 3.32 -1.92 -1.82 116.42 127.79 1fvk h ASP 67 Ca 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 1fvk h ASP 67 Cb 0.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1fvk h ASP 67 CO 0.00 0.05 -0.62 0.25 -1.72 0.00 0.00 179.24 177.21 1fvk h LEU 68 N 0.00 0.09 -1.36 1.55 6.46 -1.86 -2.87 115.31 117.32 1fvk h LEU 68 Ca -0.00 -0.05 0.07 0.00 -0.12 0.00 0.00 57.88 57.77 1fvk h LEU 68 Cb 0.34 -0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 40.20 1fvk h LEU 68 CO 0.01 0.68 0.49 1.23 -0.62 0.00 0.00 178.44 180.23 1fvk h GLY 69 N 1.72 0.99 0.90 3.75 0.00 -1.30 -1.08 103.07 108.05 1fvk h GLY 69 Ca -0.01 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 46.96 1fvk h GLY 69 CO 0.09 0.23 0.02 1.70 0.00 0.00 0.00 176.54 178.58 1fvk h LYS 70 N 0.78 0.56 -0.28 4.80 1.63 -1.58 -2.13 116.57 120.34 1fvk h LYS 70 Ca 0.32 -0.16 -0.05 0.00 -0.85 0.00 0.00 60.65 59.90 1fvk h LYS 70 Cb 0.26 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.82 1fvk h LYS 70 CO -0.11 0.67 -0.07 -0.44 -3.45 0.00 0.00 179.45 176.05 1fvk h ASP 71 N 0.37 0.42 0.11 4.20 3.32 -1.24 -2.13 116.42 121.46 1fvk h ASP 71 Ca 0.09 -0.09 -0.12 0.00 0.02 0.00 0.00 57.03 56.94 1fvk h ASP 71 Cb 0.40 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1fvk h ASP 71 CO 0.01 0.53 -0.42 -0.07 -1.72 0.00 0.00 179.24 177.57 1fvk h LEU 72 N 0.42 0.42 -0.82 1.55 3.38 -1.00 0.11 115.31 119.36 1fvk h LEU 72 Ca 0.09 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 1fvk h LEU 72 Cb 0.38 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1fvk h LEU 72 CO 0.02 0.79 -0.07 0.74 0.09 0.00 0.00 178.44 180.01 1fvk h THR 73 N 0.33 1.25 -0.23 0.22 2.02 -0.88 0.51 112.91 116.14 1fvk h THR 73 Ca 0.03 -1.12 -0.18 0.00 0.77 0.00 0.00 66.41 65.90 1fvk h THR 73 Cb 0.88 0.97 -0.00 0.00 -1.74 0.00 0.00 68.15 68.26 1fvk h THR 73 CO 0.07 0.39 -0.59 -0.61 0.37 0.00 0.00 175.52 175.15 1fvk h GLN 74 N 0.74 0.74 -0.29 6.66 4.15 -1.03 -2.32 115.11 123.76 1fvk h GLN 74 Ca 0.13 -0.50 -0.07 0.00 0.77 0.00 0.00 58.65 58.99 1fvk h GLN 74 Cb 0.55 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.29 1fvk h GLN 74 CO 0.03 1.12 -0.12 0.00 -1.93 0.00 0.00 178.83 177.93 1fvk h ALA 75 N 0.77 1.27 -0.44 3.38 0.00 -0.49 -1.32 119.26 122.43 1fvk h ALA 75 Ca -0.00 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 1fvk h ALA 75 Cb 1.18 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1fvk h ALA 75 CO 0.12 0.48 -0.18 2.35 0.00 0.00 0.00 179.25 182.03 1fvk h TRP 76 N 0.45 0.95 -0.67 0.00 -0.00 -0.77 -0.28 115.95 115.63 1fvk h TRP 76 Ca 0.08 -0.21 -0.06 0.00 -0.00 0.00 0.00 58.89 58.71 1fvk h TRP 76 Cb 0.48 -0.23 -0.03 0.00 -0.00 0.00 0.00 29.16 29.38 1fvk h TRP 76 CO 0.02 0.96 0.19 0.00 -0.00 0.00 0.00 178.44 179.61 1fvk h ALA 77 N 1.05 1.08 -0.66 2.65 0.00 -0.83 -0.19 119.26 122.35 1fvk h ALA 77 Ca 0.11 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1fvk h ALA 77 Cb 0.70 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1fvk h ALA 77 CO 0.05 0.62 0.15 0.28 0.00 0.00 0.00 179.25 180.36 1fvk h VAL 78 N 0.99 1.26 -0.37 0.00 2.07 -0.77 -0.38 116.25 119.05 1fvk h VAL 78 Ca 0.22 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 1fvk h VAL 78 Cb 0.30 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1fvk h VAL 78 CO -0.01 0.36 0.23 0.00 0.02 0.00 0.00 177.57 178.17 1fvk h ALA 79 N 1.06 0.47 -0.61 1.67 0.00 -0.48 0.09 119.26 121.46 1fvk h ALA 79 Ca 0.21 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1fvk h ALA 79 Cb 0.38 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1fvk h ALA 79 CO 0.00 -0.03 0.20 0.52 0.00 0.00 0.00 179.25 179.94 1fvk h MET 80 N 0.49 0.95 -0.63 0.00 2.86 -0.81 0.39 114.93 118.18 1fvk h MET 80 Ca 0.13 -0.20 -0.07 0.00 -2.06 0.00 0.00 59.70 57.50 1fvk h MET 80 Cb -0.00 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 1fvk h MET 80 CO -0.03 0.84 0.12 0.00 1.06 0.00 0.00 176.91 178.90 1fvk h ALA 81 N 1.07 0.83 0.00 6.32 0.00 -0.73 -2.66 119.26 124.08 1fvk h ALA 81 Ca 0.20 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1fvk h ALA 81 Cb 0.28 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1fvk h ALA 81 CO -0.01 0.57 -0.22 1.28 0.00 0.00 0.00 179.25 180.88 1fvk n LEU 82 N -4.29 0.36 -1.53 0.00 4.77 -0.01 -4.95 117.00 111.36 1fvk n LEU 82 Ca 0.04 0.34 -0.11 0.00 -0.03 0.00 0.00 56.01 56.25 1fvk n LEU 82 Cb 0.27 -0.36 0.01 0.00 -2.33 0.00 0.00 43.42 41.01 1fvk n LEU 82 CO 0.42 -0.00 -0.05 0.61 -1.33 0.00 0.00 177.39 177.04 1fvk n GLY 83 N 1.45 0.01 0.91 -0.72 0.00 0.03 -4.95 105.19 101.92 1fvk n GLY 83 Ca 0.06 -0.35 0.02 0.00 0.00 0.00 0.00 46.02 45.75 1fvk n GLY 83 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1fvk n VAL 84 N -3.94 2.37 -0.13 1.61 0.24 -0.60 -4.79 118.33 113.10 1fvk n VAL 84 Ca -0.08 -2.47 -0.05 0.00 -2.04 0.00 0.00 64.34 59.70 1fvk n VAL 84 Cb 0.58 -0.29 0.01 0.00 -1.47 0.00 0.00 33.84 32.67 1fvk n VAL 84 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1fvk h GLU 85 N 1.12 -0.11 0.00 7.34 3.07 -1.93 -0.07 114.58 124.01 1fvk h GLU 85 Ca 0.11 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 1fvk h GLU 85 Cb 1.47 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.41 1fvk h GLU 85 CO 0.27 -0.07 0.00 -0.40 -1.40 0.00 0.00 179.01 177.41 1fvk n ASP 86 N -5.38 0.36 -0.04 1.42 5.68 -1.26 -1.38 116.55 115.95 1fvk n ASP 86 Ca 0.03 0.62 -0.07 0.00 -0.50 0.00 0.00 54.79 54.86 1fvk n ASP 86 Cb 0.29 -0.68 -0.14 0.00 -1.14 0.00 0.00 41.12 39.45 1fvk n ASP 86 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1fvk n LYS 87 N -1.93 0.65 -0.00 0.11 4.76 -0.08 -4.59 118.16 117.07 1fvk n LYS 87 Ca 0.01 0.18 0.06 0.00 -2.87 0.00 0.00 58.31 55.69 1fvk n LYS 87 Cb 0.13 -1.71 -0.07 0.00 -1.84 0.00 0.00 35.03 31.53 1fvk n LYS 87 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1fvk n VAL 88 N -2.91 0.00 0.11 -0.18 0.24 -0.93 -4.63 118.33 110.03 1fvk n VAL 88 Ca -0.20 -0.25 -0.13 0.00 -2.04 0.00 0.00 64.34 61.72 1fvk n VAL 88 Cb 1.04 0.71 -0.06 0.00 -1.47 0.00 0.00 33.84 34.06 1fvk n VAL 88 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1fvk h THR 89 N 0.00 0.38 -0.21 3.34 2.02 -1.48 -0.86 112.91 116.11 1fvk h THR 89 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 1fvk h THR 89 Cb 0.37 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1fvk h THR 89 CO 0.00 0.00 -0.05 0.58 0.37 0.00 0.00 175.52 176.42 1fvk h VAL 90 N -0.50 1.29 -0.70 3.16 2.07 -1.85 -2.00 116.25 117.71 1fvk h VAL 90 Ca 0.03 -1.04 0.10 0.00 0.82 0.00 0.00 66.70 66.61 1fvk h VAL 90 Cb 0.53 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.80 1fvk h VAL 90 CO -0.17 0.32 0.46 -0.65 0.02 0.00 0.00 177.57 177.55 1fvk h PRO 91 N 0.12 0.56 -0.16 1.57 0.11 -1.80 -0.08 132.00 132.32 1fvk h PRO 91 Ca 0.05 -0.03 -0.21 0.00 0.11 0.00 0.00 66.00 65.92 1fvk h PRO 91 Cb 0.50 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 31.50 1fvk h PRO 91 CO 0.02 0.37 -0.70 -0.07 -0.21 0.00 0.00 178.00 177.41 1fvk h LEU 92 N 0.57 0.90 -0.49 2.35 3.38 -1.03 -0.68 115.31 120.31 1fvk h LEU 92 Ca 0.32 -0.62 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 1fvk h LEU 92 Cb 0.50 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1fvk h LEU 92 CO -0.11 1.37 0.27 -0.26 0.09 0.00 0.00 178.44 179.80 1fvk h PHE 93 N 0.48 0.68 -0.40 1.13 0.04 -0.59 -2.01 116.94 116.27 1fvk h PHE 93 Ca -0.04 -0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.59 1fvk h PHE 93 Cb 1.33 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 39.26 1fvk h PHE 93 CO 0.09 0.51 -0.23 0.93 -0.60 0.00 0.00 178.31 179.01 1fvk h GLU 94 N 0.65 0.86 -0.82 1.51 5.08 -1.05 -0.88 114.58 119.93 1fvk h GLU 94 Ca 0.17 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 1fvk h GLU 94 Cb 0.06 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1fvk h GLU 94 CO -0.03 1.04 0.48 0.78 -1.00 0.00 0.00 179.01 180.28 1fvk h GLY 95 N 0.68 1.21 0.03 -3.84 0.00 -0.95 0.26 103.07 100.45 1fvk h GLY 95 Ca 0.09 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 1fvk h GLY 95 CO 0.07 0.50 -0.00 -2.08 0.00 0.00 0.00 176.54 175.02 1fvk h VAL 96 N 1.14 1.68 0.07 4.60 2.07 -1.32 0.26 116.25 124.75 1fvk h VAL 96 Ca 0.29 -2.21 -0.37 0.00 0.82 0.00 0.00 66.70 65.23 1fvk h VAL 96 Cb -0.02 3.15 -0.04 0.00 -1.52 0.00 0.00 31.29 32.86 1fvk h VAL 96 CO -0.05 0.56 -2.20 0.00 0.02 0.00 0.00 177.57 175.90 1fvk n GLN 97 N -4.63 0.71 -0.00 1.57 6.02 -0.34 -4.31 117.38 116.40 1fvk n GLN 97 Ca -0.09 0.21 -0.00 0.00 -0.01 0.00 0.00 57.00 57.11 1fvk n GLN 97 Cb 0.44 -1.63 -0.00 0.00 1.02 0.00 0.00 30.24 30.07 1fvk n GLN 97 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1fvk h LYS 98 N 0.04 0.00 0.00 -1.09 3.64 -1.11 -3.41 116.57 114.64 1fvk h LYS 98 Ca -0.49 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 58.81 1fvk h LYS 98 Cb 1.98 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.79 1fvk h LYS 98 CO 0.01 0.00 -0.37 1.79 -2.27 0.00 0.00 179.45 178.61 1fvk h THR 99 N -0.02 0.67 -5.96 1.00 1.35 -0.83 -3.48 112.91 105.65 1fvk h THR 99 Ca 0.00 -1.81 -0.40 0.00 -0.55 0.00 0.00 66.41 63.65 1fvk h THR 99 Cb 0.01 2.22 0.09 0.00 -1.73 0.00 0.00 68.15 68.74 1fvk h THR 99 CO 0.00 0.36 -0.76 0.00 -0.25 0.00 0.00 175.52 174.87 1fvk n GLN 100 N -3.25 -6.31 0.00 4.72 6.02 -0.72 -4.90 117.38 112.95 1fvk n GLN 100 Ca 0.02 0.73 0.11 0.00 -0.01 0.00 0.00 57.00 57.85 1fvk n GLN 100 Cb 0.64 -5.61 0.10 0.00 1.02 0.00 0.00 30.24 26.38 1fvk n GLN 100 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1fvk n THR 101 N -4.52 0.00 -3.50 5.09 -2.24 0.00 -4.73 114.28 104.38 1fvk n THR 101 Ca -0.14 -0.19 -0.42 0.00 -2.27 0.00 0.00 64.05 61.03 1fvk n THR 101 Cb 0.61 0.96 -0.08 0.00 -2.10 0.00 0.00 70.33 69.72 1fvk n THR 101 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1fvk s ILE 102 N -2.56 4.49 -0.11 2.28 1.01 -0.85 -4.84 121.20 120.61 1fvk s ILE 102 Ca 0.19 -1.64 0.02 0.00 0.00 0.00 0.00 60.65 59.22 1fvk s ILE 102 Cb 0.18 -3.90 -0.03 0.00 0.01 0.00 0.00 42.46 38.73 1fvk s ILE 102 CO 0.60 -0.76 0.10 0.54 0.00 0.00 0.00 174.94 175.42 1fvk n ARG 103 N 5.00 6.14 -3.86 2.79 5.12 -1.26 -4.65 116.66 125.93 1fvk n ARG 103 Ca -0.10 -0.00 -0.08 0.00 -1.93 0.00 0.00 57.85 55.74 1fvk n ARG 103 Cb 0.41 -0.62 -0.01 0.00 -1.16 0.00 0.00 32.46 31.08 1fvk n ARG 103 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1fvk s SER 104 N -1.24 -0.12 0.28 0.55 1.04 -1.26 -5.06 113.70 107.89 1fvk s SER 104 Ca 0.01 -0.84 0.01 0.00 0.48 0.00 0.00 55.95 55.61 1fvk s SER 104 Cb 0.02 0.75 0.56 0.00 0.10 0.00 0.00 66.02 67.45 1fvk s SER 104 CO 0.10 -1.44 1.81 0.00 0.98 0.00 0.00 173.24 174.69 1fvk h ALA 105 N 2.03 1.45 0.00 5.32 0.00 -1.98 -1.73 119.26 124.35 1fvk h ALA 105 Ca -0.24 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1fvk h ALA 105 Cb 1.25 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1fvk h ALA 105 CO 0.30 0.10 -0.11 0.66 0.00 0.00 0.00 179.25 180.20 1fvk h SER 106 N 0.85 0.00 0.57 0.00 4.64 -2.01 -1.77 113.55 115.84 1fvk h SER 106 Ca 0.49 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.68 1fvk h SER 106 Cb 0.57 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.65 1fvk h SER 106 CO -0.30 0.11 -0.61 0.44 -0.87 0.00 0.00 176.83 175.60 1fvk h ASP 107 N 0.00 0.04 -0.54 4.97 3.32 -1.64 -2.92 116.42 119.65 1fvk h ASP 107 Ca -0.00 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 1fvk h ASP 107 Cb 0.26 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1fvk h ASP 107 CO 0.01 0.63 0.06 0.40 -1.72 0.00 0.00 179.24 178.63 1fvk h ILE 108 N 0.02 1.26 -0.87 0.35 2.04 -1.32 -2.88 117.51 116.10 1fvk h ILE 108 Ca -0.01 -1.00 0.06 0.00 1.00 0.00 0.00 64.86 64.91 1fvk h ILE 108 Cb 1.08 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 37.96 1fvk h ILE 108 CO 0.08 0.36 0.55 -0.09 0.00 0.00 0.00 178.15 179.05 1fvk h ARG 109 N 0.79 0.98 -0.63 2.37 2.43 -1.42 -2.03 114.38 116.87 1fvk h ARG 109 Ca 0.16 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1fvk h ARG 109 Cb 0.44 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 1fvk h ARG 109 CO 0.02 0.65 0.39 -0.44 -1.51 0.00 0.00 179.97 179.08 1fvk h ASP 110 N 1.01 0.74 -0.40 -3.80 3.32 -1.39 -1.86 116.42 114.04 1fvk h ASP 110 Ca 0.37 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.39 1fvk h ASP 110 Cb 0.13 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1fvk h ASP 110 CO -0.16 0.56 0.25 0.58 -1.72 0.00 0.00 179.24 178.75 1fvk h VAL 111 N 0.86 1.12 -0.45 -1.35 2.07 -1.28 -0.34 116.25 116.87 1fvk h VAL 111 Ca 0.23 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 1fvk h VAL 111 Cb -0.06 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1fvk h VAL 111 CO -0.05 0.12 0.16 -0.26 0.02 0.00 0.00 177.57 177.56 1fvk h PHE 112 N 0.54 0.71 -0.86 1.57 -1.00 -1.36 -2.31 116.94 114.24 1fvk h PHE 112 Ca 0.15 -0.07 -0.02 0.00 2.81 0.00 0.00 57.97 60.84 1fvk h PHE 112 Cb -0.03 -0.21 -0.04 0.00 3.61 0.00 0.00 35.95 39.28 1fvk h PHE 112 CO -0.04 0.63 0.46 0.82 -1.61 0.00 0.00 178.31 178.57 1fvk h ILE 113 N 0.59 1.25 -0.12 -0.55 2.04 -1.11 -1.54 117.51 118.08 1fvk h ILE 113 Ca 0.15 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 1fvk h ILE 113 Cb 0.24 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1fvk h ILE 113 CO -0.01 0.28 -0.08 0.78 0.00 0.00 0.00 178.15 179.12 1fvk h ASN 114 N 1.20 0.17 0.41 1.72 -0.26 -0.81 -0.99 115.58 117.02 1fvk h ASN 114 Ca 0.30 -0.03 0.00 0.00 -0.56 0.00 0.00 56.30 56.02 1fvk h ASN 114 Cb 0.04 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.25 1fvk h ASN 114 CO -0.05 0.28 0.00 0.00 -1.06 0.00 0.00 177.43 176.61 1fvk n ALA 115 N -2.50 2.38 0.00 -0.83 0.00 -0.63 -4.88 120.51 114.04 1fvk n ALA 115 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1fvk n ALA 115 Cb 0.22 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1fvk n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fvk n GLY 116 N 0.95 0.76 3.73 0.00 0.00 -0.38 -5.09 105.19 105.16 1fvk n GLY 116 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1fvk n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fvk s ILE 117 N -2.00 4.72 0.34 -0.61 -1.09 -0.88 -5.01 121.20 116.68 1fvk s ILE 117 Ca 0.00 1.89 -0.28 0.00 -2.23 0.00 0.00 60.65 60.03 1fvk s ILE 117 Cb 0.00 -4.24 -0.09 0.00 -1.58 0.00 0.00 42.46 36.55 1fvk s ILE 117 CO 0.00 0.28 1.19 -0.54 -1.23 0.00 0.00 174.94 174.64 1fvk s LYS 118 N 0.35 4.32 0.25 2.79 1.02 -1.26 -3.98 119.74 123.22 1fvk s LYS 118 Ca 0.45 1.95 -0.04 0.00 0.02 0.00 0.00 55.97 58.35 1fvk s LYS 118 Cb -0.21 -2.95 0.38 0.00 -0.52 0.00 0.00 37.83 34.53 1fvk s LYS 118 CO 0.26 -0.12 1.86 0.78 -0.92 0.00 0.00 175.35 177.20 1fvk h GLY 119 N 3.21 1.40 1.01 -3.33 0.00 -1.95 -1.24 103.07 102.16 1fvk h GLY 119 Ca -0.48 -0.41 0.01 0.00 0.00 0.00 0.00 47.33 46.44 1fvk h GLY 119 CO 0.65 0.27 0.48 0.83 0.00 0.00 0.00 176.54 178.76 1fvk h GLU 120 N 1.02 0.98 -0.48 4.80 3.07 -1.99 -0.22 114.58 121.76 1fvk h GLU 120 Ca 0.41 -0.07 -0.07 0.00 -0.50 0.00 0.00 59.36 59.13 1fvk h GLU 120 Cb 0.21 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 1fvk h GLU 120 CO -0.19 0.66 0.02 1.49 -1.40 0.00 0.00 179.01 179.59 1fvk h GLU 121 N 1.00 0.83 -0.01 2.33 4.57 -1.75 -1.05 114.58 120.50 1fvk h GLU 121 Ca 0.27 -0.25 -0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1fvk h GLU 121 Cb -0.10 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.41 1fvk h GLU 121 CO -0.06 0.86 0.00 -0.92 -1.18 0.00 0.00 179.01 177.72 1fvk h TYR 122 N 0.69 0.01 -0.63 0.92 3.20 -0.83 -0.64 116.97 119.70 1fvk h TYR 122 Ca 0.14 0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.02 1fvk h TYR 122 Cb 0.47 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.71 1fvk h TYR 122 CO 0.04 0.04 0.40 -0.44 -1.64 0.00 0.00 178.16 176.56 1fvk h ASP 123 N -0.03 0.68 -0.57 -2.11 3.32 -0.94 0.11 116.42 116.87 1fvk h ASP 123 Ca 0.00 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 1fvk h ASP 123 Cb 0.03 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1fvk h ASP 123 CO -0.00 0.48 0.21 0.00 -1.72 0.00 0.00 179.24 178.21 1fvk h ALA 124 N 1.25 0.75 -0.45 3.45 0.00 -1.05 -2.68 119.26 120.53 1fvk h ALA 124 Ca 0.24 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1fvk h ALA 124 Cb -0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1fvk h ALA 124 CO -0.07 0.39 0.10 0.00 0.00 0.00 0.00 179.25 179.66 1fvk h ALA 125 N 1.06 0.59 -0.89 0.00 0.00 -0.69 -2.28 119.26 117.06 1fvk h ALA 125 Ca 0.19 -0.21 0.15 0.00 0.00 0.00 0.00 54.91 55.04 1fvk h ALA 125 Cb 0.24 -0.17 -0.09 0.00 0.00 0.00 0.00 17.79 17.77 1fvk h ALA 125 CO -0.01 0.29 0.49 2.35 0.00 0.00 0.00 179.25 182.37 1fvk h TRP 126 N 0.60 0.86 -0.23 0.00 2.91 -0.54 -0.77 115.95 118.78 1fvk h TRP 126 Ca 0.14 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.19 1fvk h TRP 126 Cb 0.34 -0.25 0.00 0.00 -0.51 0.00 0.00 29.16 28.74 1fvk h TRP 126 CO 0.02 0.23 0.00 0.09 -1.03 0.00 0.00 178.44 177.75 1fvk n ASN 127 N -4.82 2.21 -4.77 2.65 3.02 -1.03 -4.77 115.26 107.75 1fvk n ASN 127 Ca 0.18 -1.81 -0.30 0.00 -0.03 0.00 0.00 54.58 52.62 1fvk n ASN 127 Cb 0.44 -0.15 0.10 0.00 -0.61 0.00 0.00 39.78 39.56 1fvk n ASN 127 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1fvk s SER 128 N -1.53 4.28 0.20 6.41 1.04 -0.29 -4.93 113.70 118.88 1fvk s SER 128 Ca 0.34 1.54 0.02 0.00 0.48 0.00 0.00 55.95 58.33 1fvk s SER 128 Cb 0.19 -2.27 0.13 0.00 0.10 0.00 0.00 66.02 64.17 1fvk s SER 128 CO 0.27 -2.13 1.48 0.15 0.98 0.00 0.00 173.24 173.99 1fvk h PHE 129 N -1.20 0.37 -0.25 5.02 3.57 -1.91 -2.44 116.94 120.11 1fvk h PHE 129 Ca -0.46 -0.16 -0.00 0.00 3.53 0.00 0.00 57.97 60.87 1fvk h PHE 129 Cb 1.26 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 1fvk h PHE 129 CO 0.50 0.89 0.15 0.28 -2.23 0.00 0.00 178.31 177.90 1fvk h VAL 130 N 0.19 1.09 -0.27 1.41 2.07 -1.93 -1.02 116.25 117.79 1fvk h VAL 130 Ca -0.02 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 1fvk h VAL 130 Cb 1.26 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1fvk h VAL 130 CO 0.11 0.09 0.06 0.58 0.02 0.00 0.00 177.57 178.43 1fvk h VAL 131 N 0.31 1.22 -0.89 2.57 2.07 -1.78 -0.54 116.25 119.20 1fvk h VAL 131 Ca 0.09 -0.73 0.05 0.00 0.82 0.00 0.00 66.70 66.93 1fvk h VAL 131 Cb 0.02 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 1fvk h VAL 131 CO -0.02 0.24 0.58 0.11 0.02 0.00 0.00 177.57 178.50 1fvk h LYS 132 N 0.27 1.04 -0.23 1.57 6.56 -1.31 0.18 116.57 124.65 1fvk h LYS 132 Ca 0.09 -0.06 -0.04 0.00 -1.06 0.00 0.00 60.65 59.58 1fvk h LYS 132 Cb 0.30 -0.24 -0.01 0.00 -0.57 0.00 0.00 32.23 31.71 1fvk h LYS 132 CO 0.00 0.69 0.00 1.03 -2.06 0.00 0.00 179.45 179.11 1fvk h SER 133 N 1.08 0.39 -1.00 0.86 0.87 -0.82 -2.43 113.55 112.50 1fvk h SER 133 Ca 0.37 -0.31 0.02 0.00 -1.23 0.00 0.00 61.79 60.64 1fvk h SER 133 Cb 0.09 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 61.89 1fvk h SER 133 CO -0.12 0.61 0.66 -0.07 -0.53 0.00 0.00 176.83 177.37 1fvk h LEU 134 N 0.17 1.12 -0.82 2.23 3.38 -0.08 0.62 115.31 121.94 1fvk h LEU 134 Ca 0.06 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1fvk h LEU 134 Cb 0.40 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1fvk h LEU 134 CO 0.01 0.79 0.43 0.58 0.09 0.00 0.00 178.44 180.34 1fvk h VAL 135 N 1.31 1.25 -0.33 1.22 2.07 -0.91 -1.01 116.25 119.84 1fvk h VAL 135 Ca 0.38 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1fvk h VAL 135 Cb -0.08 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 1fvk h VAL 135 CO -0.10 0.28 0.11 0.00 0.02 0.00 0.00 177.57 177.88 1fvk h ALA 136 N 1.23 0.42 -0.65 1.67 0.00 -0.69 -2.02 119.26 119.22 1fvk h ALA 136 Ca 0.29 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1fvk h ALA 136 Cb 0.06 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1fvk h ALA 136 CO -0.04 0.05 0.43 1.96 0.00 0.00 0.00 179.25 181.64 1fvk h GLN 137 N 0.37 0.85 -0.19 0.00 4.20 -0.54 -0.77 115.11 119.04 1fvk h GLN 137 Ca 0.11 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 1fvk h GLN 137 Cb 0.22 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1fvk h GLN 137 CO -0.01 0.56 0.09 1.96 -0.67 0.00 0.00 178.83 180.77 1fvk h GLN 138 N 0.88 0.28 -0.72 1.46 4.20 -1.03 -0.03 115.11 120.14 1fvk h GLN 138 Ca 0.24 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.85 1fvk h GLN 138 Cb -0.10 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 1fvk h GLN 138 CO -0.05 0.31 0.22 0.93 -0.67 0.00 0.00 178.83 179.56 1fvk h GLU 139 N 0.18 1.12 -0.28 1.46 5.08 -1.22 -2.59 114.58 118.33 1fvk h GLU 139 Ca 0.07 -0.24 -0.07 0.00 -1.00 0.00 0.00 59.36 58.12 1fvk h GLU 139 Cb 0.12 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1fvk h GLU 139 CO -0.01 0.95 -0.09 -0.22 -1.00 0.00 0.00 179.01 178.65 1fvk h LYS 140 N 1.07 0.55 -0.75 2.33 3.64 -0.98 -2.41 116.57 120.03 1fvk h LYS 140 Ca 0.23 -0.22 0.07 0.00 -1.27 0.00 0.00 60.65 59.46 1fvk h LYS 140 Cb 0.30 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.04 1fvk h LYS 140 CO -0.01 0.77 0.43 0.00 -2.27 0.00 0.00 179.45 178.37 1fvk h ALA 141 N 0.77 1.02 -0.57 5.00 0.00 -0.86 0.78 119.26 125.40 1fvk h ALA 141 Ca 0.07 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1fvk h ALA 141 Cb 0.58 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1fvk h ALA 141 CO 0.03 0.11 0.23 0.00 0.00 0.00 0.00 179.25 179.62 1fvk h ALA 142 N 1.39 0.74 -0.51 0.00 0.00 -1.39 -2.87 119.26 116.61 1fvk h ALA 142 Ca 0.34 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1fvk h ALA 142 Cb 0.22 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1fvk h ALA 142 CO -0.20 0.35 0.18 0.00 0.00 0.00 0.00 179.25 179.58 1fvk h ALA 143 N 1.08 0.67 -0.81 0.00 0.00 -0.77 -1.57 119.26 117.86 1fvk h ALA 143 Ca 0.19 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1fvk h ALA 143 Cb 0.19 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1fvk h ALA 143 CO -0.02 0.31 0.53 -0.44 0.00 0.00 0.00 179.25 179.63 1fvk h ASP 144 N 0.69 0.78 0.04 0.00 3.32 -0.72 -1.32 116.42 119.22 1fvk h ASP 144 Ca 0.17 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1fvk h ASP 144 Cb 0.24 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1fvk h ASP 144 CO -0.01 0.50 -0.14 1.33 -1.72 0.00 0.00 179.24 179.20 1fvk n VAL 145 N -4.48 0.00 -3.62 -1.35 0.24 -1.10 -4.86 118.33 103.16 1fvk n VAL 145 Ca 0.12 -0.29 -0.21 0.00 -2.04 0.00 0.00 64.34 61.92 1fvk n VAL 145 Cb 0.22 0.86 0.06 0.00 -1.47 0.00 0.00 33.84 33.51 1fvk n VAL 145 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fvk n GLN 146 N 0.25 -6.00 -1.68 7.34 6.02 -0.50 -4.88 117.38 117.94 1fvk n GLN 146 Ca 0.14 0.72 -0.43 0.00 -0.01 0.00 0.00 57.00 57.43 1fvk n GLN 146 Cb 0.44 -5.55 -0.03 0.00 1.02 0.00 0.00 30.24 26.11 1fvk n GLN 146 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1fvk n LEU 147 N -4.37 3.92 -0.03 1.08 7.94 -0.76 -4.90 117.00 119.86 1fvk n LEU 147 Ca -0.21 0.98 0.03 0.00 -1.11 0.00 0.00 56.01 55.70 1fvk n LEU 147 Cb 0.64 -1.51 -0.14 0.00 0.53 0.00 0.00 43.42 42.94 1fvk n LEU 147 CO 0.66 0.12 -0.84 -2.11 -1.11 0.00 0.00 177.39 174.11 1fvk n ARG 148 N 5.93 0.76 -3.64 1.96 1.85 -1.26 -4.99 116.66 117.27 1fvk n ARG 148 Ca 0.19 -0.12 -0.07 0.00 -1.00 0.00 0.00 57.85 56.85 1fvk n ARG 148 Cb 0.36 -1.45 -0.02 0.00 -1.05 0.00 0.00 32.46 30.30 1fvk n ARG 148 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1fvk s GLY 149 N -4.50 -0.35 0.17 2.89 0.00 -1.26 -5.16 107.32 99.11 1fvk s GLY 149 Ca -0.07 0.35 0.07 0.00 0.00 0.00 0.00 44.72 45.06 1fvk s GLY 149 CO 0.76 0.11 -0.15 -1.34 0.00 0.00 0.00 173.10 172.48 1fvk s VAL 150 N -3.48 1.61 0.75 1.40 -7.23 -1.26 -4.45 120.40 107.74 1fvk s VAL 150 Ca 0.08 -2.01 -0.11 0.00 -1.81 0.00 0.00 61.98 58.13 1fvk s VAL 150 Cb -0.02 -1.85 0.04 0.00 0.56 0.00 0.00 36.38 35.11 1fvk s VAL 150 CO -0.03 -0.50 1.08 -2.16 -0.31 0.00 0.00 175.10 173.18 1fvk s PRO 151 N -3.21 2.45 -0.06 4.82 0.04 -1.26 -4.88 135.00 132.90 1fvk s PRO 151 Ca 0.17 1.09 -0.24 0.00 0.04 0.00 0.00 61.00 62.06 1fvk s PRO 151 Cb -0.03 -1.92 0.05 0.00 0.04 0.00 0.00 34.50 32.64 1fvk s PRO 151 CO 0.05 -1.49 0.53 0.00 0.04 0.00 0.00 177.00 176.14 1fvk s ALA 152 N -2.95 -1.37 -0.02 8.56 0.00 -1.07 -5.00 121.76 119.91 1fvk s ALA 152 Ca 0.60 1.00 -0.01 0.00 0.00 0.00 0.00 51.96 53.56 1fvk s ALA 152 Cb -0.16 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 22.88 1fvk s ALA 152 CO 0.56 -0.32 0.05 1.41 0.00 0.00 0.00 175.76 177.46 1fvk s MET 153 N -1.04 0.01 0.08 0.00 1.75 -1.26 -0.94 119.30 117.90 1fvk s MET 153 Ca -0.10 0.17 0.10 0.00 -1.25 0.00 0.00 55.69 54.60 1fvk s MET 153 Cb -0.02 -0.14 -0.03 0.00 2.84 0.00 0.00 34.83 37.47 1fvk s MET 153 CO 0.07 -0.11 -0.26 -0.06 -0.65 0.00 0.00 175.02 174.00 1fvk s PHE 154 N 0.72 2.29 -0.11 4.11 0.40 1.00 -1.53 117.98 124.86 1fvk s PHE 154 Ca -0.06 -0.40 0.02 0.00 -0.60 0.00 0.00 56.93 55.90 1fvk s PHE 154 Cb -0.08 -1.32 0.01 0.00 0.51 0.00 0.00 43.02 42.14 1fvk s PHE 154 CO -0.02 0.20 -0.18 0.08 0.70 0.00 0.00 175.22 176.00 1fvk s VAL 155 N -0.90 1.67 -1.58 -0.44 1.01 -0.11 -0.62 120.40 119.42 1fvk s VAL 155 Ca 0.12 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1fvk s VAL 155 Cb -0.10 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.79 1fvk s VAL 155 CO 0.03 0.47 0.00 0.59 0.00 0.00 0.00 175.10 176.20 1fvk n ASN 156 N 3.97 -4.19 -0.20 3.32 3.02 0.13 -1.23 115.26 120.07 1fvk n ASN 156 Ca -0.20 0.33 -0.03 0.00 -0.03 0.00 0.00 54.58 54.66 1fvk n ASN 156 Cb 0.52 -3.77 -0.01 0.00 -0.61 0.00 0.00 39.78 35.91 1fvk n ASN 156 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fvk n GLY 157 N -0.40 0.27 0.04 7.41 0.00 -1.26 -4.73 105.19 106.52 1fvk n GLY 157 Ca -0.16 -0.01 -0.05 0.00 0.00 0.00 0.00 46.02 45.80 1fvk n GLY 157 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fvk n LYS 158 N 0.40 0.83 -4.25 1.61 5.02 -0.36 -1.77 118.16 119.64 1fvk n LYS 158 Ca -0.03 0.04 -0.27 0.00 -2.02 0.00 0.00 58.31 56.03 1fvk n LYS 158 Cb 0.50 -1.17 -0.09 0.00 -0.02 0.00 0.00 35.03 34.25 1fvk n LYS 158 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1fvk s TYR 159 N -2.17 2.72 -0.07 2.13 2.02 -0.73 -0.94 117.35 120.31 1fvk s TYR 159 Ca -0.10 -0.18 0.02 0.00 -0.37 0.00 0.00 57.07 56.44 1fvk s TYR 159 Cb 0.03 -1.35 0.01 0.00 -0.40 0.00 0.00 41.96 40.25 1fvk s TYR 159 CO 0.21 0.49 -0.11 -1.14 -1.57 0.00 0.00 175.55 173.44 1fvk s GLN 160 N -2.72 1.62 0.42 -0.62 0.74 -0.15 -0.93 119.66 118.02 1fvk s GLN 160 Ca 0.25 -0.38 -0.25 0.00 0.05 0.00 0.00 55.36 55.04 1fvk s GLN 160 Cb -0.09 -1.37 -0.08 0.00 1.10 0.00 0.00 33.01 32.56 1fvk s GLN 160 CO 0.16 -0.00 1.18 -0.51 -0.55 0.00 0.00 175.29 175.57 1fvk s LEU 161 N 0.76 4.14 -0.55 3.68 1.02 -0.58 -0.70 118.68 126.44 1fvk s LEU 161 Ca -0.13 2.37 0.04 0.00 0.02 0.00 0.00 54.13 56.43 1fvk s LEU 161 Cb -0.15 -4.08 0.15 0.00 0.02 0.00 0.00 46.19 42.13 1fvk s LEU 161 CO 0.03 -0.78 0.36 0.21 0.02 0.00 0.00 176.35 176.19 1fvk s ASN 162 N -1.16 3.84 0.66 2.29 2.47 0.42 -4.75 114.94 118.70 1fvk s ASN 162 Ca 0.59 -3.25 0.42 0.00 0.42 0.00 0.00 52.86 51.04 1fvk s ASN 162 Cb -0.31 -1.27 2.33 0.00 -1.45 0.00 0.00 41.25 40.56 1fvk s ASN 162 CO 0.38 -0.17 2.35 1.55 -3.72 0.00 0.00 177.10 177.50 1fvk h PRO 163 N 5.98 0.00 -0.00 0.43 0.13 -1.88 -1.61 132.00 135.05 1fvk h PRO 163 Ca 0.09 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.18 1fvk h PRO 163 Cb 0.85 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.97 1fvk h PRO 163 CO 0.59 0.00 -0.19 1.96 -0.23 0.00 0.00 178.00 180.13 1fvk h GLN 164 N 0.00 0.00 -0.53 0.86 7.50 -1.93 -1.46 115.11 119.56 1fvk h GLN 164 Ca -0.00 -0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1fvk h GLN 164 Cb 0.01 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.54 1fvk h GLN 164 CO 0.00 0.20 0.00 0.41 -1.50 0.00 0.00 178.83 177.94 1fvk n GLY 165 N -0.98 1.48 3.94 3.46 0.00 -0.60 -4.92 105.19 107.56 1fvk n GLY 165 Ca -0.02 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.22 1fvk n GLY 165 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1fvk s MET 166 N -1.44 3.34 -0.44 1.61 -1.94 -0.55 -4.37 119.30 115.51 1fvk s MET 166 Ca 0.34 -0.79 -0.28 0.00 -1.71 0.00 0.00 55.69 53.25 1fvk s MET 166 Cb 0.19 -2.84 0.00 0.00 2.01 0.00 0.00 34.83 34.19 1fvk s MET 166 CO 0.21 0.44 1.52 0.34 -0.01 0.00 0.00 175.02 177.52 1fvk s ASP 167 N -3.82 6.13 0.00 3.03 2.15 -1.26 -4.86 116.67 118.03 1fvk s ASP 167 Ca 0.34 0.76 0.19 0.00 0.43 0.00 0.00 52.55 54.26 1fvk s ASP 167 Cb -0.09 -2.54 0.23 0.00 -0.30 0.00 0.00 42.92 40.22 1fvk s ASP 167 CO 0.28 -1.61 1.17 0.35 -0.17 0.00 0.00 175.17 175.19 1fvk n THR 168 N 7.11 0.23 -0.32 1.71 -2.24 -1.26 -3.79 114.28 115.72 1fvk n THR 168 Ca 0.17 -0.61 -0.04 0.00 -2.27 0.00 0.00 64.05 61.30 1fvk n THR 168 Cb 0.48 1.19 0.08 0.00 -2.10 0.00 0.00 70.33 69.98 1fvk n THR 168 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1fvk h SER 169 N 3.63 1.03 -3.55 3.42 4.64 -2.02 -3.38 113.55 117.31 1fvk h SER 169 Ca 0.00 -0.06 -0.67 0.00 -0.47 0.00 0.00 61.79 60.59 1fvk h SER 169 Cb 0.81 -0.26 -0.34 0.00 -0.31 0.00 0.00 62.40 62.30 1fvk h SER 169 CO 0.00 0.78 -0.78 0.21 -0.87 0.00 0.00 176.83 176.17 1fvk s ASN 170 N -6.07 4.19 0.43 4.97 3.84 -1.26 -5.02 114.94 116.02 1fvk s ASN 170 Ca -0.13 -1.02 0.10 0.00 0.21 0.00 0.00 52.86 52.03 1fvk s ASN 170 Cb 0.16 -1.60 0.93 0.00 -0.55 0.00 0.00 41.25 40.19 1fvk s ASN 170 CO 0.81 -0.13 2.02 0.24 -2.79 0.00 0.00 177.10 177.24 1fvk h MET 171 N 7.93 0.26 -0.38 0.43 2.86 -1.90 0.18 114.93 124.32 1fvk h MET 171 Ca -0.30 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.20 1fvk h MET 171 Cb 1.09 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.69 1fvk h MET 171 CO 0.55 0.27 -0.19 -0.44 1.06 0.00 0.00 176.91 178.17 1fvk h ASP 172 N 0.26 0.82 -0.34 1.22 3.32 -1.96 -0.99 116.42 118.74 1fvk h ASP 172 Ca 0.06 -0.41 -0.05 0.00 0.02 0.00 0.00 57.03 56.65 1fvk h ASP 172 Cb 0.15 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1fvk h ASP 172 CO 0.00 1.04 0.01 0.58 -1.72 0.00 0.00 179.24 179.15 1fvk h VAL 173 N 0.59 1.26 0.09 -1.35 2.07 -1.83 -2.66 116.25 114.41 1fvk h VAL 173 Ca 0.08 -0.95 0.02 0.00 0.82 0.00 0.00 66.70 66.68 1fvk h VAL 173 Cb 0.74 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 1fvk h VAL 173 CO 0.06 0.31 -0.28 0.15 0.02 0.00 0.00 177.57 177.83 1fvk h PHE 174 N 0.42 -0.75 -0.81 1.57 3.57 -0.81 0.21 116.94 120.33 1fvk h PHE 174 Ca 0.10 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.73 1fvk h PHE 174 Cb 0.44 0.32 -0.08 0.00 2.79 0.00 0.00 35.95 39.42 1fvk h PHE 174 CO 0.03 -0.38 0.43 0.28 -2.23 0.00 0.00 178.31 176.44 1fvk h VAL 175 N -0.48 0.81 -0.03 1.41 2.07 -1.16 0.94 116.25 119.82 1fvk h VAL 175 Ca 0.04 -0.23 -0.15 0.00 0.82 0.00 0.00 66.70 67.18 1fvk h VAL 175 Cb 0.52 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1fvk h VAL 175 CO -0.18 0.12 -0.67 1.56 0.02 0.00 0.00 177.57 178.42 1fvk h GLN 176 N 0.67 0.12 -0.33 1.57 1.08 -1.02 -1.72 115.11 115.48 1fvk h GLN 176 Ca 0.42 -0.10 -0.14 0.00 -1.45 0.00 0.00 58.65 57.38 1fvk h GLN 176 Cb 0.49 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.93 1fvk h GLN 176 CO -0.30 0.74 -0.36 0.37 -0.95 0.00 0.00 178.83 178.32 1fvk h GLN 177 N 0.09 0.78 0.20 1.46 4.15 0.69 -0.27 115.11 122.21 1fvk h GLN 177 Ca -0.01 -0.39 -0.01 0.00 0.77 0.00 0.00 58.65 59.01 1fvk h GLN 177 Cb 1.19 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.88 1fvk h GLN 177 CO 0.10 1.01 -0.10 -0.92 -1.93 0.00 0.00 178.83 176.99 1fvk h TYR 178 N 0.64 -0.25 -0.90 3.99 5.03 -0.66 -0.44 116.97 124.37 1fvk h TYR 178 Ca 0.06 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.37 1fvk h TYR 178 Cb 0.91 0.08 -0.04 0.00 1.55 0.00 0.00 36.73 39.23 1fvk h TYR 178 CO 0.05 -0.07 0.58 0.00 -1.32 0.00 0.00 178.16 177.40 1fvk h ALA 179 N 0.40 1.15 -0.23 1.82 0.00 -1.23 -1.89 119.26 119.28 1fvk h ALA 179 Ca -0.03 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 1fvk h ALA 179 Cb 0.29 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1fvk h ALA 179 CO 0.05 0.56 -0.19 -0.44 0.00 0.00 0.00 179.25 179.23 1fvk h ASP 180 N 1.23 0.40 -0.37 0.00 3.32 -0.86 -1.73 116.42 118.42 1fvk h ASP 180 Ca 0.33 -0.12 -0.09 0.00 0.02 0.00 0.00 57.03 57.18 1fvk h ASP 180 Cb -0.11 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1fvk h ASP 180 CO -0.07 0.61 -0.11 0.74 -1.72 0.00 0.00 179.24 178.70 1fvk h THR 181 N 0.38 1.28 -0.11 0.35 2.02 -0.45 -0.51 112.91 115.88 1fvk h THR 181 Ca 0.06 -1.20 0.00 0.00 0.77 0.00 0.00 66.41 66.05 1fvk h THR 181 Cb 0.55 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 1fvk h THR 181 CO 0.04 0.40 0.07 0.58 0.37 0.00 0.00 175.52 176.97 1fvk h VAL 182 N 0.53 1.03 -0.28 3.16 2.07 -1.14 -0.87 116.25 120.75 1fvk h VAL 182 Ca 0.09 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.59 1fvk h VAL 182 Cb 0.63 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1fvk h VAL 182 CO 0.04 0.03 0.07 0.50 0.02 0.00 0.00 177.57 178.23 1fvk h LYS 183 N 0.14 0.17 -0.33 1.57 3.64 -1.20 0.98 116.57 121.55 1fvk h LYS 183 Ca 0.04 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.45 1fvk h LYS 183 Cb -0.01 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 1fvk h LYS 183 CO -0.01 0.11 0.08 -0.92 -2.27 0.00 0.00 179.45 176.44 1fvk h TYR 184 N 0.18 0.13 -0.34 1.91 3.20 -0.83 -2.68 116.97 118.54 1fvk h TYR 184 Ca 0.13 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.91 1fvk h TYR 184 Cb 0.12 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 1fvk h TYR 184 CO -0.15 0.04 -0.23 -0.07 -1.64 0.00 0.00 178.16 176.10 1fvk h LEU 185 N 0.20 0.67 -2.54 2.82 3.38 -0.71 -2.94 115.31 116.19 1fvk h LEU 185 Ca 0.15 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1fvk h LEU 185 Cb 0.16 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1fvk h LEU 185 CO -0.19 0.88 -0.01 0.77 0.09 0.00 0.00 178.44 179.98 1fvk h SER 186 N 0.58 0.00 -0.56 -0.43 4.64 -0.47 -1.34 113.55 115.97 1fvk h SER 186 Ca 0.08 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.15 1fvk h SER 186 Cb 0.70 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.65 1fvk h SER 186 CO 0.05 0.01 0.17 -0.62 -0.87 0.00 0.00 176.83 175.57 1fvk n GLU 187 N -3.19 2.35 0.00 4.77 1.02 -1.11 -5.03 120.64 119.45 1fvk n GLU 187 Ca -0.02 -3.08 0.00 0.00 -0.02 0.00 0.00 57.16 54.03 1fvk n GLU 187 Cb 0.14 -1.97 0.00 0.00 -0.02 0.00 0.00 31.44 29.59 1fvk n GLU 187 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48