#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fvk h GLN 2 N 0.00 0.42 -4.98 0.00 1.08 -2.09 -3.42 115.11 106.11 1fvk h GLN 2 Ca 0.00 -0.72 -0.66 0.00 -1.45 0.00 0.00 58.65 55.81 1fvk h GLN 2 Cb 0.00 0.27 -0.30 0.00 -0.05 0.00 0.00 27.48 27.40 1fvk h GLN 2 CO 0.00 1.35 -0.75 0.71 -0.95 0.00 0.00 178.83 179.19 1fvk s TYR 3 N -2.52 2.95 0.07 2.96 2.02 -1.26 -4.99 117.35 116.58 1fvk s TYR 3 Ca -0.12 -1.18 0.08 0.00 -0.37 0.00 0.00 57.07 55.49 1fvk s TYR 3 Cb 0.03 -2.07 -0.03 0.00 -0.40 0.00 0.00 41.96 39.49 1fvk s TYR 3 CO 0.89 -0.63 -0.22 -1.21 -1.57 0.00 0.00 175.55 172.81 1fvk s GLU 4 N 1.42 1.34 0.31 -0.62 2.02 -1.26 -5.05 118.70 116.85 1fvk s GLU 4 Ca 0.05 -1.04 -0.29 0.00 0.02 0.00 0.00 54.97 53.70 1fvk s GLU 4 Cb -0.15 -1.53 -0.11 0.00 0.10 0.00 0.00 34.13 32.45 1fvk s GLU 4 CO -0.05 0.38 1.47 0.34 0.02 0.00 0.00 175.26 177.42 1fvk s ASP 5 N -1.44 6.51 0.00 -0.19 -1.08 -1.26 -0.93 116.67 118.28 1fvk s ASP 5 Ca 0.08 2.85 0.00 0.00 -0.52 0.00 0.00 52.55 54.96 1fvk s ASP 5 Cb -0.09 -2.64 0.00 0.00 -1.46 0.00 0.00 42.92 38.73 1fvk s ASP 5 CO 0.03 -0.78 0.00 0.61 0.52 0.00 0.00 175.17 175.55 1fvk n GLY 6 N 1.53 2.16 0.00 2.66 0.00 0.13 -4.92 105.19 106.76 1fvk n GLY 6 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.01 1.61 3.00 -0.10 -4.79 118.16 115.86 1fvk n LYS 7 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.44 1fvk n LYS 7 Cb 0.00 0.00 0.71 0.00 0.00 0.00 0.00 35.03 35.74 1fvk n LYS 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1fvk n GLN 8 N 0.00 1.21 -3.56 1.64 0.00 -1.22 -4.28 117.38 111.17 1fvk n GLN 8 Ca 0.00 -0.32 -0.09 0.00 0.00 0.00 0.00 57.00 56.60 1fvk n GLN 8 Cb 0.00 -1.43 -0.02 0.00 0.00 0.00 0.00 30.24 28.79 1fvk n GLN 8 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.06 178.58 1fvk s TYR 9 N -1.98 -0.35 0.10 2.61 1.13 -1.26 -1.47 117.35 116.14 1fvk s TYR 9 Ca 0.39 0.13 0.06 0.00 -1.41 0.00 0.00 57.07 56.25 1fvk s TYR 9 Cb 0.19 0.58 -0.03 0.00 -1.10 0.00 0.00 41.96 41.60 1fvk s TYR 9 CO 0.31 -0.76 -0.15 0.95 -2.51 0.00 0.00 175.55 173.39 1fvk s THR 10 N -3.43 1.33 -0.14 -3.49 -4.23 -0.27 0.22 115.64 105.64 1fvk s THR 10 Ca 0.06 -1.57 -0.08 0.00 -1.18 0.00 0.00 61.69 58.92 1fvk s THR 10 Cb -0.02 -1.40 -0.04 0.00 1.34 0.00 0.00 72.50 72.38 1fvk s THR 10 CO -0.07 -0.30 0.13 -0.89 -0.54 0.00 0.00 174.62 172.95 1fvk s THR 11 N -1.73 5.44 0.20 3.99 2.01 -1.26 -1.24 115.64 123.05 1fvk s THR 11 Ca 0.05 0.19 -0.30 0.00 0.31 0.00 0.00 61.69 61.94 1fvk s THR 11 Cb -0.07 -3.40 -0.09 0.00 0.01 0.00 0.00 72.50 68.96 1fvk s THR 11 CO 0.03 0.57 1.30 -0.76 -0.69 0.00 0.00 174.62 175.07 1fvk s LEU 12 N -0.65 4.42 0.30 4.42 1.43 0.18 -4.92 118.68 123.85 1fvk s LEU 12 Ca 0.13 2.40 -0.01 0.00 -1.03 0.00 0.00 54.13 55.62 1fvk s LEU 12 Cb -0.12 -3.61 0.47 0.00 0.03 0.00 0.00 46.19 42.96 1fvk s LEU 12 CO 0.02 -0.52 1.91 1.05 0.23 0.00 0.00 176.35 179.05 1fvk h GLU 13 N 5.31 0.92 -3.43 1.70 -0.00 -1.97 -3.35 114.58 113.74 1fvk h GLU 13 Ca -0.45 -0.11 -0.61 0.00 -0.00 0.00 0.00 59.36 58.19 1fvk h GLU 13 Cb 1.21 -0.18 -0.40 0.00 -0.00 0.00 0.00 28.75 29.39 1fvk h GLU 13 CO 0.77 0.70 -0.74 -1.59 -0.00 0.00 0.00 179.01 178.15 1fvk s LYS 14 N -5.56 1.14 0.45 1.06 0.00 -1.26 -5.12 119.74 110.44 1fvk s LYS 14 Ca -0.10 -1.68 -0.25 0.00 0.00 0.00 0.00 55.97 53.93 1fvk s LYS 14 Cb 0.17 -2.38 -0.09 0.00 0.00 0.00 0.00 37.83 35.54 1fvk s LYS 14 CO 0.79 -1.07 1.35 -0.35 0.00 0.00 0.00 175.35 176.07 1fvk n PRO 15 N 4.08 2.04 -3.39 1.78 -0.04 -1.26 -4.99 135.00 133.22 1fvk n PRO 15 Ca 0.04 0.73 -0.41 0.00 -0.04 0.00 0.00 63.50 63.82 1fvk n PRO 15 Cb 0.38 -2.51 -0.09 0.00 -0.04 0.00 0.00 33.50 31.24 1fvk n PRO 15 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1fvk s VAL 16 N -1.21 5.16 0.15 0.52 1.01 -0.35 -5.04 120.40 120.65 1fvk s VAL 16 Ca 0.62 0.02 -0.27 0.00 0.00 0.00 0.00 61.98 62.35 1fvk s VAL 16 Cb -0.47 -3.84 -0.07 0.00 0.00 0.00 0.00 36.38 31.99 1fvk s VAL 16 CO 0.57 -0.12 0.84 0.00 0.00 0.00 0.00 175.10 176.39 1fvk s ALA 17 N 2.03 3.38 0.00 5.51 0.00 -1.26 -3.68 121.76 127.74 1fvk s ALA 17 Ca 0.12 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1fvk s ALA 17 Cb -0.17 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1fvk s ALA 17 CO 0.12 0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.47 1fvk n GLY 18 N 1.81 0.90 3.78 0.00 0.00 -1.26 -5.03 105.19 105.38 1fvk n GLY 18 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.56 2.75 0.75 4.61 0.00 -1.24 -4.99 121.76 120.08 1fvk s ALA 19 Ca 0.00 0.79 -0.15 0.00 0.00 0.00 0.00 51.96 52.60 1fvk s ALA 19 Cb 0.00 -3.34 0.03 0.00 0.00 0.00 0.00 23.12 19.81 1fvk s ALA 19 CO 0.00 -0.68 1.08 -2.30 0.00 0.00 0.00 175.76 173.87 1fvk n PRO 20 N -1.18 0.45 -0.02 0.00 -0.02 -1.26 -4.65 135.00 128.32 1fvk n PRO 20 Ca 0.11 0.22 -0.09 0.00 -2.02 0.00 0.00 63.50 61.72 1fvk n PRO 20 Cb 0.51 -2.33 -0.02 0.00 -0.02 0.00 0.00 33.50 31.63 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 -0.43 -0.24 -4.32 -0.52 4.20 -1.93 -3.37 115.11 108.50 1fvk h GLN 21 Ca -0.47 0.02 -0.56 0.00 0.06 0.00 0.00 58.65 57.69 1fvk h GLN 21 Cb 1.32 0.05 -0.37 0.00 0.30 0.00 0.00 27.48 28.78 1fvk h GLN 21 CO 0.47 -0.16 -0.80 0.08 -0.67 0.00 0.00 178.83 177.74 1fvk s VAL 22 N -6.10 1.23 -0.20 -0.54 1.01 -1.21 0.14 120.40 114.74 1fvk s VAL 22 Ca -0.15 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1fvk s VAL 22 Cb 0.11 -1.31 0.02 0.00 0.00 0.00 0.00 36.38 35.20 1fvk s VAL 22 CO 0.68 0.26 -0.16 -0.22 0.00 0.00 0.00 175.10 175.65 1fvk s LEU 23 N 1.60 2.39 -0.09 3.92 0.20 0.07 -1.14 118.68 125.62 1fvk s LEU 23 Ca 0.02 -0.66 -0.00 0.00 0.69 0.00 0.00 54.13 54.18 1fvk s LEU 23 Cb -0.14 -1.54 -0.03 0.00 -0.43 0.00 0.00 46.19 44.05 1fvk s LEU 23 CO -0.08 -0.02 -0.05 -0.70 -0.29 0.00 0.00 176.35 175.20 1fvk s GLU 24 N 1.31 2.96 0.05 1.98 2.12 0.03 -0.64 118.70 126.51 1fvk s GLU 24 Ca 0.04 -0.52 0.08 0.00 0.36 0.00 0.00 54.97 54.93 1fvk s GLU 24 Cb -0.14 -2.68 -0.03 0.00 0.26 0.00 0.00 34.13 31.54 1fvk s GLU 24 CO -0.10 0.59 -0.22 -0.06 -0.54 0.00 0.00 175.26 174.92 1fvk s PHE 25 N -0.59 2.44 0.32 5.30 0.08 -0.08 -0.69 117.98 124.77 1fvk s PHE 25 Ca 0.09 -0.33 -0.17 0.00 0.12 0.00 0.00 56.93 56.63 1fvk s PHE 25 Cb -0.12 -1.42 0.03 0.00 -0.57 0.00 0.00 43.02 40.94 1fvk s PHE 25 CO 0.02 0.20 0.72 -0.59 -0.10 0.00 0.00 175.22 175.46 1fvk s PHE 26 N -0.87 0.05 -0.06 0.36 -0.71 -0.46 -2.71 117.98 113.58 1fvk s PHE 26 Ca 0.13 -0.58 -0.07 0.00 -1.04 0.00 0.00 56.93 55.37 1fvk s PHE 26 Cb -0.10 0.68 0.02 0.00 -1.21 0.00 0.00 43.02 42.40 1fvk s PHE 26 CO 0.04 -1.35 0.19 0.45 -1.34 0.00 0.00 175.22 173.20 1fvk s SER 27 N -3.01 -0.16 0.09 1.98 0.15 -1.26 -1.54 113.70 109.95 1fvk s SER 27 Ca 0.15 0.27 0.18 0.00 0.70 0.00 0.00 55.95 57.25 1fvk s SER 27 Cb -0.05 0.36 0.76 0.00 -1.71 0.00 0.00 66.02 65.38 1fvk s SER 27 CO 0.10 -0.14 1.56 0.49 1.20 0.00 0.00 173.24 176.45 1fvk n PHE 28 N 2.63 0.27 1.06 3.44 3.72 -1.26 -1.95 117.46 125.37 1fvk n PHE 28 Ca -0.15 0.11 0.12 0.00 -0.05 0.00 0.00 57.45 57.48 1fvk n PHE 28 Cb 0.58 -0.67 0.19 0.00 -0.94 0.00 0.00 39.48 38.64 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 -1.75 0.00 -2.87 1.38 3.72 -1.26 -4.61 117.46 112.08 1fvk n PHE 29 Ca 0.03 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.01 1fvk n PHE 29 Cb 0.20 -0.15 -0.04 0.00 -0.94 0.00 0.00 39.48 38.55 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 8.35 0.25 0.00 0.00 0.11 -1.89 -1.72 132.00 137.09 1fvk h PRO 31 Ca -0.24 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.78 1fvk h PRO 31 Cb 1.09 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1fvk h PRO 31 CO 0.94 0.16 -0.35 0.45 -0.21 0.00 0.00 178.00 178.99 1fvk h HIS 32 N 0.26 0.00 -0.35 0.65 3.86 -1.92 -2.48 115.15 115.17 1fvk h HIS 32 Ca 0.20 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.32 1fvk h HIS 32 Cb 0.23 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.68 1fvk h HIS 32 CO -0.18 0.35 -0.19 0.00 0.86 0.00 0.00 177.93 178.77 1fvk h TYR 34 N 0.58 0.25 0.16 0.00 5.03 -0.98 -1.17 116.97 120.84 1fvk h TYR 34 Ca 0.09 -0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.38 1fvk h TYR 34 Cb 0.64 -0.07 -0.00 0.00 1.55 0.00 0.00 36.73 38.85 1fvk h TYR 34 CO 0.03 0.33 -0.10 1.96 -1.32 0.00 0.00 178.16 179.05 1fvk h GLN 35 N 0.10 -0.25 -0.48 1.82 1.08 -1.11 0.21 115.11 116.49 1fvk h GLN 35 Ca 0.05 0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.37 1fvk h GLN 35 Cb 0.19 0.06 -0.09 0.00 -0.05 0.00 0.00 27.48 27.58 1fvk h GLN 35 CO -0.00 -0.16 -0.12 0.74 -0.95 0.00 0.00 178.83 178.33 1fvk h PHE 36 N -0.25 -0.25 0.00 2.96 -1.00 -0.71 0.11 116.94 117.80 1fvk h PHE 36 Ca -0.01 0.04 -0.01 0.00 2.81 0.00 0.00 57.97 60.80 1fvk h PHE 36 Cb 0.22 0.19 -0.00 0.00 3.61 0.00 0.00 35.95 39.96 1fvk h PHE 36 CO -0.09 -0.21 -0.06 1.49 -1.61 0.00 0.00 178.31 177.84 1fvk h GLU 37 N 0.00 0.00 0.13 1.51 4.57 -1.07 0.44 114.58 120.17 1fvk h GLU 37 Ca 0.23 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 58.13 1fvk h GLU 37 Cb 0.35 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1fvk h GLU 37 CO -0.49 0.66 -1.24 0.93 -1.18 0.00 0.00 179.01 177.69 1fvk h GLU 38 N -1.00 0.36 0.00 1.92 4.39 -0.65 -3.16 114.58 116.44 1fvk h GLU 38 Ca -0.01 -0.57 -0.46 0.00 0.34 0.00 0.00 59.36 58.65 1fvk h GLU 38 Cb 0.68 0.21 -0.07 0.00 -0.10 0.00 0.00 28.75 29.47 1fvk h GLU 38 CO -0.01 1.26 -2.53 0.28 -1.16 0.00 0.00 179.01 176.85 1fvk n VAL 39 N -3.61 1.53 0.05 3.13 0.31 -0.60 -4.68 118.33 114.45 1fvk n VAL 39 Ca -0.10 -0.39 -0.09 0.00 -0.01 0.00 0.00 64.34 63.75 1fvk n VAL 39 Cb 1.01 -1.87 -0.13 0.00 -0.91 0.00 0.00 33.84 31.94 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 -0.98 0.09 -0.94 7.52 4.07 -0.86 -3.48 115.31 120.72 1fvk h LEU 40 Ca -0.70 -0.11 -0.38 0.00 0.08 0.00 0.00 57.88 56.78 1fvk h LEU 40 Cb 1.62 -0.03 0.14 0.00 1.08 0.00 0.00 40.66 43.47 1fvk h LEU 40 CO -0.42 1.09 -0.66 1.41 -1.08 0.00 0.00 178.44 178.78 1fvk n HIS 41 N -3.33 -2.71 -0.10 1.13 8.25 0.14 -4.93 115.22 113.68 1fvk n HIS 41 Ca -0.05 0.97 -0.08 0.00 -0.26 0.00 0.00 57.72 58.30 1fvk n HIS 41 Cb 0.98 -4.88 -0.02 0.00 1.12 0.00 0.00 29.99 27.19 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 -2.52 0.26 -0.25 1.59 1.08 -1.41 -2.41 117.51 113.86 1fvk h ILE 42 Ca -0.55 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 63.98 1fvk h ILE 42 Cb 1.35 0.26 -0.05 0.00 -3.07 0.00 0.00 36.82 35.31 1fvk h ILE 42 CO 0.53 0.00 -0.09 0.28 -0.69 0.00 0.00 178.15 178.18 1fvk h SER 43 N -0.26 -0.31 -0.44 1.72 0.02 -1.92 -0.21 113.55 112.15 1fvk h SER 43 Ca 0.16 0.08 0.03 0.00 -0.84 0.00 0.00 61.79 61.23 1fvk h SER 43 Cb 0.53 0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.21 1fvk h SER 43 CO -0.50 -0.12 0.22 0.44 -1.14 0.00 0.00 176.83 175.74 1fvk h ASP 44 N -0.04 0.32 -0.26 3.07 3.32 -1.90 -0.50 116.42 120.44 1fvk h ASP 44 Ca 0.12 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.11 1fvk h ASP 44 Cb 0.23 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1fvk h ASP 44 CO -0.28 0.23 -0.12 0.78 -1.72 0.00 0.00 179.24 178.13 1fvk h ASN 45 N 0.44 0.66 -0.21 6.45 2.35 -1.05 -1.65 115.58 122.57 1fvk h ASN 45 Ca 0.19 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1fvk h ASN 45 Cb 0.09 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 1fvk h ASN 45 CO -0.13 0.80 -0.03 0.58 -1.65 0.00 0.00 177.43 177.01 1fvk h VAL 46 N 0.61 1.27 -0.65 2.81 2.07 -0.66 -3.06 116.25 118.64 1fvk h VAL 46 Ca 0.11 -0.97 0.08 0.00 0.82 0.00 0.00 66.70 66.74 1fvk h VAL 46 Cb 0.56 1.49 -0.07 0.00 -1.52 0.00 0.00 31.29 31.76 1fvk h VAL 46 CO 0.04 0.30 0.31 0.11 0.02 0.00 0.00 177.57 178.34 1fvk h LYS 47 N 0.13 0.52 0.00 1.57 1.57 -0.83 -0.40 116.57 119.13 1fvk h LYS 47 Ca 0.06 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1fvk h LYS 47 Cb 0.46 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1fvk h LYS 47 CO 0.02 0.35 0.00 1.63 -0.57 0.00 0.00 179.45 180.87 1fvk n LYS 48 N -4.90 0.09 0.00 3.15 5.02 -0.64 -2.62 118.16 118.26 1fvk n LYS 48 Ca 0.09 0.56 0.02 0.00 -2.02 0.00 0.00 58.31 56.97 1fvk n LYS 48 Cb 0.24 -1.79 -0.02 0.00 -0.02 0.00 0.00 35.03 33.45 1fvk n LYS 48 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1fvk n LYS 49 N -1.98 4.32 -2.14 1.97 5.02 -0.21 -5.04 118.16 120.09 1fvk n LYS 49 Ca -0.00 -0.16 -0.36 0.00 -2.02 0.00 0.00 58.31 55.76 1fvk n LYS 49 Cb 0.04 -0.80 0.01 0.00 -0.02 0.00 0.00 35.03 34.27 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 -1.86 3.75 1.13 -0.35 1.43 -0.91 -4.84 118.68 117.03 1fvk s LEU 50 Ca 0.03 2.30 -0.14 0.00 -1.03 0.00 0.00 54.13 55.29 1fvk s LEU 50 Cb 0.04 -4.54 0.26 0.00 0.03 0.00 0.00 46.19 41.98 1fvk s LEU 50 CO 0.17 -1.34 1.05 -2.84 0.23 0.00 0.00 176.35 173.61 1fvk s PRO 51 N -3.22 -0.65 0.09 1.29 0.02 -1.26 -4.96 135.00 126.32 1fvk s PRO 51 Ca 0.74 0.53 -0.30 0.00 0.02 0.00 0.00 61.00 61.98 1fvk s PRO 51 Cb -0.28 -1.61 -0.06 0.00 0.02 0.00 0.00 34.50 32.57 1fvk s PRO 51 CO 0.31 -3.46 1.17 -1.83 -0.33 0.00 0.00 177.00 172.86 1fvk s GLU 52 N -4.81 4.47 0.00 5.54 1.03 -1.26 -3.09 118.70 120.58 1fvk s GLU 52 Ca 0.67 1.75 0.00 0.00 0.03 0.00 0.00 54.97 57.42 1fvk s GLU 52 Cb -0.20 -3.33 0.00 0.00 -0.80 0.00 0.00 34.13 29.80 1fvk s GLU 52 CO 0.60 -0.18 0.00 0.41 -1.33 0.00 0.00 175.26 174.77 1fvk n GLY 53 N 2.93 0.41 3.55 -3.83 0.00 -1.26 -5.04 105.19 101.94 1fvk n GLY 53 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.15 5.16 0.02 1.61 1.01 -1.18 -5.07 120.40 119.80 1fvk s VAL 54 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 1fvk s VAL 54 Cb 0.00 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1fvk s VAL 54 CO 0.00 -0.08 0.17 -1.59 0.00 0.00 0.00 175.10 173.60 1fvk s LYS 55 N 2.05 3.35 -0.17 2.72 0.00 -1.26 -4.85 119.74 121.58 1fvk s LYS 55 Ca 0.12 -0.40 -0.08 0.00 0.00 0.00 0.00 55.97 55.62 1fvk s LYS 55 Cb -0.16 -3.02 -0.04 0.00 0.00 0.00 0.00 37.83 34.60 1fvk s LYS 55 CO 0.12 0.65 0.10 -1.64 0.00 0.00 0.00 175.35 174.57 1fvk s MET 56 N -2.09 3.85 -0.09 1.78 -1.94 -1.26 -3.32 119.30 116.23 1fvk s MET 56 Ca 0.29 -0.26 0.04 0.00 -1.71 0.00 0.00 55.69 54.04 1fvk s MET 56 Cb -0.13 -3.24 -0.01 0.00 2.01 0.00 0.00 34.83 33.46 1fvk s MET 56 CO 0.21 0.43 -0.21 0.99 -0.01 0.00 0.00 175.02 176.43 1fvk s THR 57 N -0.04 2.36 -0.15 2.05 2.01 -0.30 -5.02 115.64 116.56 1fvk s THR 57 Ca 0.08 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 61.17 1fvk s THR 57 Cb -0.12 -1.92 0.01 0.00 0.01 0.00 0.00 72.50 70.49 1fvk s THR 57 CO 0.00 0.56 -0.20 -0.75 -0.69 0.00 0.00 174.62 173.54 1fvk s LYS 58 N 0.12 2.87 0.13 4.92 2.20 -1.26 -0.79 119.74 127.93 1fvk s LYS 58 Ca -0.10 -0.79 0.11 0.00 -0.36 0.00 0.00 55.97 54.82 1fvk s LYS 58 Cb -0.16 -2.39 -0.04 0.00 -1.51 0.00 0.00 37.83 33.74 1fvk s LYS 58 CO 0.06 -0.09 -0.27 0.71 -0.36 0.00 0.00 175.35 175.40 1fvk s TYR 59 N 1.02 2.29 0.20 4.03 2.02 0.14 -4.98 117.35 122.07 1fvk s TYR 59 Ca -0.03 -0.38 0.01 0.00 -0.37 0.00 0.00 57.07 56.30 1fvk s TYR 59 Cb -0.14 -1.24 -0.04 0.00 -0.40 0.00 0.00 41.96 40.14 1fvk s TYR 59 CO -0.06 0.34 0.37 -1.58 -1.57 0.00 0.00 175.55 173.04 1fvk s HIS 60 N -1.07 3.48 0.25 2.71 2.46 -1.26 -1.36 115.29 120.50 1fvk s HIS 60 Ca 0.14 0.24 0.11 0.00 0.47 0.00 0.00 55.06 56.02 1fvk s HIS 60 Cb -0.10 -1.77 -0.05 0.00 -0.13 0.00 0.00 32.58 30.53 1fvk s HIS 60 CO 0.06 0.41 -0.16 0.14 -2.47 0.00 0.00 174.74 172.72 1fvk s VAL 61 N -1.87 2.72 -0.13 0.89 -7.23 -0.59 -4.83 120.40 109.37 1fvk s VAL 61 Ca 0.37 -2.16 0.18 0.00 -1.81 0.00 0.00 61.98 58.56 1fvk s VAL 61 Cb -0.11 -2.40 -0.15 0.00 0.56 0.00 0.00 36.38 34.28 1fvk s VAL 61 CO 0.29 -0.31 0.74 0.59 -0.31 0.00 0.00 175.10 176.10 1fvk n ASN 62 N -0.43 0.69 0.00 4.85 3.02 -1.26 -4.54 115.26 117.59 1fvk n ASN 62 Ca -0.07 0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 1fvk n ASN 62 Cb 0.58 0.45 0.00 0.00 -0.61 0.00 0.00 39.78 40.21 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 -2.79 0.00 -4.28 3.10 1.16 -1.26 -4.48 117.46 108.91 1fvk n PHE 63 Ca -0.10 0.00 -0.17 0.00 -1.87 0.00 0.00 57.45 55.30 1fvk n PHE 63 Cb 0.81 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.54 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 -2.00 0.61 0.00 3.97 -1.94 -1.26 -4.82 119.30 113.86 1fvk s MET 64 Ca 0.00 -0.30 0.00 0.00 -1.71 0.00 0.00 55.69 53.68 1fvk s MET 64 Cb 0.00 -0.59 0.00 0.00 2.01 0.00 0.00 34.83 36.25 1fvk s MET 64 CO 0.00 0.16 0.00 0.41 -0.01 0.00 0.00 175.02 175.58 1fvk n GLY 65 N 2.82 0.72 7.00 -0.03 0.00 -1.26 -4.00 105.19 110.44 1fvk n GLY 65 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.47 3.34 0.36 -0.02 0.00 -1.26 -2.30 105.19 102.83 1fvk n GLY 66 Ca 0.00 0.14 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -0.95 -0.05 1.61 3.32 -1.93 -1.93 116.42 116.49 1fvk h ASP 67 Ca 0.00 0.10 0.02 0.00 0.02 0.00 0.00 57.03 57.16 1fvk h ASP 67 Cb 0.00 0.34 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 1fvk h ASP 67 CO 0.00 -0.45 0.04 0.25 -1.72 0.00 0.00 179.24 177.37 1fvk h LEU 68 N -0.63 0.00 -0.23 1.55 6.46 -1.85 -2.15 115.31 118.47 1fvk h LEU 68 Ca 0.01 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1fvk h LEU 68 Cb 0.61 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.53 1fvk h LEU 68 CO -0.14 0.00 0.15 1.23 -0.62 0.00 0.00 178.44 179.06 1fvk h GLY 69 N 0.00 0.32 1.51 3.75 0.00 -0.93 0.07 103.07 107.79 1fvk h GLY 69 Ca 0.03 -0.12 -0.10 0.00 0.00 0.00 0.00 47.33 47.13 1fvk h GLY 69 CO -0.00 0.12 -0.25 0.50 0.00 0.00 0.00 176.54 176.91 1fvk h LYS 70 N 0.30 0.57 -0.73 4.80 1.57 -1.20 -2.41 116.57 119.47 1fvk h LYS 70 Ca 0.08 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1fvk h LYS 70 Cb -0.02 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 1fvk h LYS 70 CO -0.02 0.77 0.42 -0.44 -0.57 0.00 0.00 179.45 179.61 1fvk h ASP 71 N 0.50 0.90 0.14 0.86 3.32 -0.99 -2.16 116.42 118.98 1fvk h ASP 71 Ca 0.07 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 1fvk h ASP 71 Cb 0.69 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 1fvk h ASP 71 CO 0.05 0.72 -0.25 -0.07 -1.72 0.00 0.00 179.24 177.97 1fvk h LEU 72 N 1.00 0.19 -0.60 1.55 3.38 -0.75 0.01 115.31 120.10 1fvk h LEU 72 Ca 0.26 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 58.05 1fvk h LEU 72 Cb 0.00 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1fvk h LEU 72 CO -0.04 0.45 -0.21 0.74 0.09 0.00 0.00 178.44 179.47 1fvk h THR 73 N 0.18 1.27 -0.36 0.22 2.02 -0.94 0.63 112.91 115.93 1fvk h THR 73 Ca 0.03 -1.35 -0.15 0.00 0.77 0.00 0.00 66.41 65.71 1fvk h THR 73 Cb 0.55 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1fvk h THR 73 CO 0.04 0.46 -0.37 -0.61 0.37 0.00 0.00 175.52 175.41 1fvk h GLN 74 N 0.77 0.85 -0.40 6.66 4.15 -0.91 -1.60 115.11 124.64 1fvk h GLN 74 Ca 0.10 -0.43 -0.09 0.00 0.77 0.00 0.00 58.65 59.00 1fvk h GLN 74 Cb 0.76 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.44 1fvk h GLN 74 CO 0.06 1.07 -0.13 0.00 -1.93 0.00 0.00 178.83 177.90 1fvk h ALA 75 N 0.88 1.03 -0.35 3.38 0.00 -0.80 -1.39 119.26 122.01 1fvk h ALA 75 Ca 0.06 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 1fvk h ALA 75 Cb 0.93 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1fvk h ALA 75 CO 0.09 0.58 -0.15 2.35 0.00 0.00 0.00 179.25 182.12 1fvk h TRP 76 N 0.64 0.70 -0.70 0.00 2.91 -0.62 -0.38 115.95 118.50 1fvk h TRP 76 Ca 0.11 -0.13 -0.03 0.00 1.13 0.00 0.00 58.89 59.97 1fvk h TRP 76 Cb 0.59 -0.18 -0.03 0.00 -0.51 0.00 0.00 29.16 29.03 1fvk h TRP 76 CO 0.03 0.75 0.32 0.00 -1.03 0.00 0.00 178.44 178.51 1fvk h ALA 77 N 1.26 1.25 -0.43 2.65 0.00 -0.63 -0.03 119.26 123.32 1fvk h ALA 77 Ca 0.10 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1fvk h ALA 77 Cb 0.59 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1fvk h ALA 77 CO 0.04 0.57 -0.03 0.28 0.00 0.00 0.00 179.25 180.10 1fvk h VAL 78 N 0.99 1.27 -0.87 0.00 2.07 -0.50 -0.12 116.25 119.09 1fvk h VAL 78 Ca 0.24 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 1fvk h VAL 78 Cb 0.12 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1fvk h VAL 78 CO -0.03 0.37 0.47 0.00 0.02 0.00 0.00 177.57 178.41 1fvk h ALA 79 N 0.89 1.19 -0.23 1.67 0.00 -0.43 -0.68 119.26 121.67 1fvk h ALA 79 Ca 0.12 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1fvk h ALA 79 Cb 0.54 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1fvk h ALA 79 CO 0.03 0.65 -0.17 0.52 0.00 0.00 0.00 179.25 180.27 1fvk h MET 80 N 1.22 0.53 -0.66 0.00 2.86 -0.74 0.15 114.93 118.29 1fvk h MET 80 Ca 0.31 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1fvk h MET 80 Cb 0.03 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 1fvk h MET 80 CO -0.05 0.83 0.37 0.00 1.06 0.00 0.00 176.91 179.12 1fvk h ALA 81 N 0.69 0.84 0.00 6.32 0.00 -0.72 -2.69 119.26 123.70 1fvk h ALA 81 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1fvk h ALA 81 Cb 0.70 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1fvk h ALA 81 CO 0.05 0.35 -0.28 1.28 0.00 0.00 0.00 179.25 180.64 1fvk n LEU 82 N -4.54 0.45 -1.32 0.00 4.77 -0.29 -4.95 117.00 111.13 1fvk n LEU 82 Ca 0.05 0.31 -0.09 0.00 -0.03 0.00 0.00 56.01 56.25 1fvk n LEU 82 Cb 0.08 -0.32 0.01 0.00 -2.33 0.00 0.00 43.42 40.86 1fvk n LEU 82 CO 0.37 -0.01 -0.03 0.61 -1.33 0.00 0.00 177.39 177.00 1fvk n GLY 83 N 1.43 0.12 0.90 -0.72 0.00 -0.12 -4.95 105.19 101.84 1fvk n GLY 83 Ca 0.05 -0.42 0.04 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.85 2.35 -0.21 1.61 0.24 -0.24 -4.75 118.33 113.47 1fvk n VAL 84 Ca -0.07 -2.26 0.01 0.00 -2.04 0.00 0.00 64.34 59.98 1fvk n VAL 84 Cb 0.56 -0.28 0.13 0.00 -1.47 0.00 0.00 33.84 32.78 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 1.28 0.37 0.00 7.34 3.07 -1.93 0.27 114.58 124.99 1fvk h GLU 85 Ca 0.09 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 1fvk h GLU 85 Cb 1.48 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 29.30 1fvk h GLU 85 CO 0.26 0.25 0.00 -0.25 -1.40 0.00 0.00 179.01 177.87 1fvk n ASP 86 N -5.03 0.00 -0.10 1.42 8.00 -1.26 -1.87 116.55 117.71 1fvk n ASP 86 Ca 0.10 0.37 -0.12 0.00 0.71 0.00 0.00 54.79 55.85 1fvk n ASP 86 Cb 0.32 -0.43 -0.15 0.00 -0.02 0.00 0.00 41.12 40.84 1fvk n ASP 86 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1fvk n LYS 87 N -1.43 0.68 -0.00 -1.24 4.76 0.04 -4.65 118.16 116.32 1fvk n LYS 87 Ca 0.04 0.05 0.09 0.00 -2.87 0.00 0.00 58.31 55.62 1fvk n LYS 87 Cb 0.13 -1.54 -0.11 0.00 -1.84 0.00 0.00 35.03 31.67 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 0.24 -0.18 0.24 -0.92 -4.61 118.33 110.19 1fvk n VAL 88 Ca -0.35 -0.13 -0.16 0.00 -2.04 0.00 0.00 64.34 61.66 1fvk n VAL 88 Cb 1.11 0.86 -0.08 0.00 -1.47 0.00 0.00 33.84 34.26 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 0.43 0.41 3.34 2.02 -1.64 -1.74 112.91 115.73 1fvk h THR 89 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1fvk h THR 89 Cb 0.49 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1fvk h THR 89 CO 0.00 0.00 -0.24 0.58 0.37 0.00 0.00 175.52 176.23 1fvk h VAL 90 N -0.66 0.50 0.00 3.16 2.07 -1.86 -1.59 116.25 117.87 1fvk h VAL 90 Ca -0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1fvk h VAL 90 Cb 0.55 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1fvk h VAL 90 CO 0.02 0.00 -0.06 1.55 0.02 0.00 0.00 177.57 179.10 1fvk h PRO 91 N -0.62 0.00 -0.04 1.57 0.13 -1.81 -0.68 132.00 130.55 1fvk h PRO 91 Ca -0.05 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.98 1fvk h PRO 91 Cb 0.51 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.64 1fvk h PRO 91 CO 0.05 0.06 -0.39 -0.07 -0.23 0.00 0.00 178.00 177.43 1fvk h LEU 92 N 0.00 0.40 -0.40 1.56 3.38 -1.04 0.83 115.31 120.04 1fvk h LEU 92 Ca -0.00 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.26 1fvk h LEU 92 Cb 0.14 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1fvk h LEU 92 CO 0.01 1.05 0.25 -0.26 0.09 0.00 0.00 178.44 179.58 1fvk h PHE 93 N -0.21 0.51 -0.46 1.13 0.04 -0.96 -1.39 116.94 115.61 1fvk h PHE 93 Ca -0.04 0.01 -0.14 0.00 2.80 0.00 0.00 57.97 60.60 1fvk h PHE 93 Cb 1.08 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 39.04 1fvk h PHE 93 CO 0.14 0.34 -0.25 0.93 -0.60 0.00 0.00 178.31 178.88 1fvk h GLU 94 N 0.53 0.97 -0.56 1.51 5.08 -1.19 -0.26 114.58 120.67 1fvk h GLU 94 Ca 0.14 -0.43 -0.03 0.00 -1.00 0.00 0.00 59.36 58.05 1fvk h GLU 94 Cb -0.03 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1fvk h GLU 94 CO -0.03 1.10 0.23 0.78 -1.00 0.00 0.00 179.01 180.10 1fvk h GLY 95 N 0.86 0.86 0.38 -3.84 0.00 -0.57 0.91 103.07 101.66 1fvk h GLY 95 Ca 0.10 -0.42 -0.16 0.00 0.00 0.00 0.00 47.33 46.85 1fvk h GLY 95 CO 0.07 0.40 -0.76 -2.08 0.00 0.00 0.00 176.54 174.17 1fvk h VAL 96 N 0.79 1.42 0.00 4.60 2.07 -1.13 -1.31 116.25 122.70 1fvk h VAL 96 Ca 0.19 -2.41 -0.37 0.00 0.82 0.00 0.00 66.70 64.93 1fvk h VAL 96 Cb 0.14 3.04 -0.07 0.00 -1.52 0.00 0.00 31.29 32.88 1fvk h VAL 96 CO -0.02 0.64 -2.41 0.00 0.02 0.00 0.00 177.57 175.80 1fvk n GLN 97 N -4.26 0.69 -0.05 1.57 6.02 -0.12 -3.96 117.38 117.27 1fvk n GLN 97 Ca -0.17 0.03 -0.02 0.00 -0.01 0.00 0.00 57.00 56.82 1fvk n GLN 97 Cb 0.72 -1.52 -0.01 0.00 1.02 0.00 0.00 30.24 30.46 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 0.00 0.00 0.00 -1.09 3.64 -1.03 -3.41 116.57 114.68 1fvk h LYS 98 Ca -0.56 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.79 1fvk h LYS 98 Cb 2.16 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.98 1fvk h LYS 98 CO 0.00 0.00 -0.88 1.79 -2.27 0.00 0.00 179.45 178.09 1fvk h THR 99 N -0.75 0.15 -5.93 1.00 1.35 -1.24 -3.48 112.91 104.02 1fvk h THR 99 Ca 0.00 -1.27 -0.44 0.00 -0.55 0.00 0.00 66.41 64.15 1fvk h THR 99 Cb 0.25 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1fvk h THR 99 CO 0.00 0.09 -0.70 0.00 -0.25 0.00 0.00 175.52 174.65 1fvk n GLN 100 N -2.83 -5.73 0.00 4.72 6.02 -0.92 -4.87 117.38 113.77 1fvk n GLN 100 Ca -0.01 0.66 0.11 0.00 -0.01 0.00 0.00 57.00 57.75 1fvk n GLN 100 Cb 0.61 -5.57 0.01 0.00 1.02 0.00 0.00 30.24 26.32 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 -4.66 0.00 -2.96 5.09 -2.24 -0.54 -4.79 114.28 104.18 1fvk n THR 101 Ca 0.02 -0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.35 1fvk n THR 101 Cb 0.54 0.76 -0.05 0.00 -2.10 0.00 0.00 70.33 69.48 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 -2.97 4.56 0.00 2.28 1.01 -0.95 -4.81 121.20 120.32 1fvk s ILE 102 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.61 1fvk s ILE 102 Cb 0.17 -4.48 0.00 0.00 0.01 0.00 0.00 42.46 38.16 1fvk s ILE 102 CO 0.80 -1.06 0.06 0.54 0.00 0.00 0.00 174.94 175.27 1fvk n ARG 103 N 7.02 5.72 -3.89 2.79 1.74 -1.26 -4.82 116.66 123.95 1fvk n ARG 103 Ca -0.02 -0.06 -0.09 0.00 -0.77 0.00 0.00 57.85 56.91 1fvk n ARG 103 Cb 0.46 -0.54 -0.01 0.00 -1.02 0.00 0.00 32.46 31.35 1fvk n ARG 103 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1fvk s SER 104 N -0.83 -0.04 0.52 0.55 1.04 -1.26 -4.99 113.70 108.68 1fvk s SER 104 Ca 0.00 -0.92 0.17 0.00 0.48 0.00 0.00 55.95 55.68 1fvk s SER 104 Cb 0.00 0.73 1.29 0.00 0.10 0.00 0.00 66.02 68.15 1fvk s SER 104 CO 0.00 -1.41 2.15 0.00 0.98 0.00 0.00 173.24 174.96 1fvk h ALA 105 N 2.06 1.96 -0.69 5.32 0.00 -1.98 -1.44 119.26 124.49 1fvk h ALA 105 Ca -0.25 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 1fvk h ALA 105 Cb 1.25 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1fvk h ALA 105 CO 0.32 0.01 0.15 1.03 0.00 0.00 0.00 179.25 180.77 1fvk h SER 106 N 0.00 1.06 -0.14 0.00 0.87 -1.99 -1.66 113.55 111.68 1fvk h SER 106 Ca -0.00 -0.24 -0.08 0.00 -1.23 0.00 0.00 61.79 60.24 1fvk h SER 106 Cb 0.02 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.68 1fvk h SER 106 CO 0.00 1.03 -0.14 0.44 -0.53 0.00 0.00 176.83 177.63 1fvk h ASP 107 N 1.04 0.50 -0.36 6.23 3.32 -1.63 -1.06 116.42 124.47 1fvk h ASP 107 Ca 0.21 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 1fvk h ASP 107 Cb 0.39 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1fvk h ASP 107 CO 0.01 0.67 0.00 0.40 -1.72 0.00 0.00 179.24 178.60 1fvk h ILE 108 N 0.47 1.26 -0.61 0.35 2.04 -1.20 -2.81 117.51 117.02 1fvk h ILE 108 Ca 0.09 -0.97 0.03 0.00 1.00 0.00 0.00 64.86 65.01 1fvk h ILE 108 Cb 0.52 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 1fvk h ILE 108 CO 0.03 0.32 0.36 -0.09 0.00 0.00 0.00 178.15 178.78 1fvk h ARG 109 N 0.45 0.68 -0.94 2.37 2.43 -0.80 -1.95 114.38 116.62 1fvk h ARG 109 Ca 0.10 -0.04 0.12 0.00 -0.81 0.00 0.00 59.98 59.35 1fvk h ARG 109 Cb 0.45 -0.15 -0.08 0.00 -0.42 0.00 0.00 29.97 29.77 1fvk h ARG 109 CO 0.02 0.45 0.60 -0.44 -1.51 0.00 0.00 179.97 179.09 1fvk h ASP 110 N 0.70 0.81 -0.59 -3.80 3.32 -1.00 -1.04 116.42 114.82 1fvk h ASP 110 Ca 0.25 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 1fvk h ASP 110 Cb 0.06 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 1fvk h ASP 110 CO -0.12 0.43 0.32 0.58 -1.72 0.00 0.00 179.24 178.74 1fvk h VAL 111 N 0.87 1.19 -0.35 -1.35 2.07 -1.11 -0.22 116.25 117.36 1fvk h VAL 111 Ca 0.46 -0.50 -0.06 0.00 0.82 0.00 0.00 66.70 67.42 1fvk h VAL 111 Cb 0.54 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1fvk h VAL 111 CO -0.22 0.21 -0.03 -0.26 0.02 0.00 0.00 177.57 177.28 1fvk h PHE 112 N 0.80 0.70 -0.68 1.57 -1.00 -1.07 -1.37 116.94 115.89 1fvk h PHE 112 Ca 0.21 -0.13 -0.02 0.00 2.81 0.00 0.00 57.97 60.84 1fvk h PHE 112 Cb 0.05 -0.18 -0.03 0.00 3.61 0.00 0.00 35.95 39.40 1fvk h PHE 112 CO -0.01 0.76 0.37 0.82 -1.61 0.00 0.00 178.31 178.64 1fvk h ILE 113 N 0.43 1.22 0.00 -0.55 2.04 -1.07 -1.40 117.51 118.17 1fvk h ILE 113 Ca 0.09 -0.55 -0.05 0.00 1.00 0.00 0.00 64.86 65.35 1fvk h ILE 113 Cb 0.51 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1fvk h ILE 113 CO 0.02 0.24 -0.25 -1.13 0.00 0.00 0.00 178.15 177.03 1fvk h ASN 114 N 0.94 0.00 0.66 1.72 -0.73 -0.92 -0.98 115.58 116.27 1fvk h ASN 114 Ca 0.24 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.41 1fvk h ASN 114 Cb 0.05 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.64 1fvk h ASN 114 CO -0.04 0.25 0.00 0.00 -0.37 0.00 0.00 177.43 177.27 1fvk n ALA 115 N -2.39 2.27 0.00 1.57 0.00 -0.53 -4.89 120.51 116.54 1fvk n ALA 115 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1fvk n ALA 115 Cb 0.33 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.36 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 1.05 0.76 3.73 0.00 0.00 -0.37 -5.06 105.19 105.31 1fvk n GLY 116 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 4.70 0.41 -0.61 1.09 -0.65 -5.00 121.20 119.14 1fvk s ILE 117 Ca 0.00 1.81 -0.25 0.00 -1.10 0.00 0.00 60.65 61.11 1fvk s ILE 117 Cb 0.00 -4.20 -0.08 0.00 -1.06 0.00 0.00 42.46 37.12 1fvk s ILE 117 CO 0.00 0.31 1.19 -0.54 -0.10 0.00 0.00 174.94 175.80 1fvk s LYS 118 N 0.16 3.98 0.18 2.79 -0.14 -1.26 -3.94 119.74 121.51 1fvk s LYS 118 Ca 0.43 1.88 -0.14 0.00 -1.36 0.00 0.00 55.97 56.77 1fvk s LYS 118 Cb -0.21 -2.64 0.15 0.00 -1.68 0.00 0.00 37.83 33.45 1fvk s LYS 118 CO 0.25 -0.39 1.71 0.78 -0.76 0.00 0.00 175.35 176.94 1fvk h GLY 119 N 2.53 0.50 1.98 -3.33 0.00 -1.95 -0.09 103.07 102.72 1fvk h GLY 119 Ca -0.49 0.01 -0.08 0.00 0.00 0.00 0.00 47.33 46.77 1fvk h GLY 119 CO 0.62 -0.09 -0.39 1.05 0.00 0.00 0.00 176.54 177.73 1fvk h GLU 120 N 0.17 0.02 -0.26 4.80 9.09 -1.99 -0.31 114.58 126.10 1fvk h GLU 120 Ca 0.23 -0.01 -0.14 0.00 0.05 0.00 0.00 59.36 59.48 1fvk h GLU 120 Cb 0.31 -0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.41 1fvk h GLU 120 CO -0.33 0.41 -0.40 1.49 0.05 0.00 0.00 179.01 180.22 1fvk h GLU 121 N 0.02 0.73 0.04 1.06 4.81 -1.70 -2.01 114.58 117.52 1fvk h GLU 121 Ca -0.00 -0.44 -0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1fvk h GLU 121 Cb 0.70 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.12 1fvk h GLU 121 CO 0.05 1.06 -0.02 -0.92 -0.73 0.00 0.00 179.01 178.46 1fvk h TYR 122 N 0.47 -0.05 -0.78 0.92 5.03 -0.75 -2.50 116.97 119.31 1fvk h TYR 122 Ca 0.02 -0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.37 1fvk h TYR 122 Cb 1.00 0.02 -0.05 0.00 1.55 0.00 0.00 36.73 39.25 1fvk h TYR 122 CO 0.08 0.29 0.52 -0.44 -1.32 0.00 0.00 178.16 177.29 1fvk h ASP 123 N -0.39 0.81 -0.07 -2.11 3.32 -1.09 0.14 116.42 117.03 1fvk h ASP 123 Ca -0.01 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1fvk h ASP 123 Cb 0.36 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 1fvk h ASP 123 CO 0.01 0.55 0.01 0.00 -1.72 0.00 0.00 179.24 178.09 1fvk h ALA 124 N 1.55 0.09 -0.36 3.45 0.00 -1.32 -2.59 119.26 120.08 1fvk h ALA 124 Ca 0.32 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1fvk h ALA 124 Cb 0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1fvk h ALA 124 CO -0.10 -0.27 0.12 0.00 0.00 0.00 0.00 179.25 179.00 1fvk h ALA 125 N 0.78 0.47 -1.00 0.00 0.00 -1.08 -1.62 119.26 116.80 1fvk h ALA 125 Ca 0.02 -0.15 0.17 0.00 0.00 0.00 0.00 54.91 54.95 1fvk h ALA 125 Cb 0.27 -0.14 -0.10 0.00 0.00 0.00 0.00 17.79 17.82 1fvk h ALA 125 CO 0.00 0.09 0.61 2.35 0.00 0.00 0.00 179.25 182.31 1fvk h TRP 126 N 0.43 1.09 -0.02 0.00 2.91 -0.67 -0.78 115.95 118.91 1fvk h TRP 126 Ca 0.12 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.17 1fvk h TRP 126 Cb 0.23 -0.33 0.00 0.00 -0.51 0.00 0.00 29.16 28.55 1fvk h TRP 126 CO 0.00 0.30 -0.18 0.09 -1.03 0.00 0.00 178.44 177.63 1fvk n ASN 127 N -4.73 1.92 -4.78 2.65 3.02 -0.98 -4.90 115.26 107.46 1fvk n ASN 127 Ca 0.22 -1.49 -0.34 0.00 -0.03 0.00 0.00 54.58 52.94 1fvk n ASN 127 Cb 0.51 0.15 0.02 0.00 -0.61 0.00 0.00 39.78 39.84 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 -2.23 5.53 0.44 6.41 1.04 -0.30 -4.95 113.70 119.64 1fvk s SER 128 Ca 0.27 2.07 0.24 0.00 0.48 0.00 0.00 55.95 59.02 1fvk s SER 128 Cb 0.20 -2.56 0.69 0.00 0.10 0.00 0.00 66.02 64.44 1fvk s SER 128 CO 0.43 -1.35 1.73 -0.26 0.98 0.00 0.00 173.24 174.77 1fvk h PHE 129 N 0.72 0.00 -0.57 5.02 -1.00 -1.90 -2.29 116.94 116.92 1fvk h PHE 129 Ca -0.49 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.25 1fvk h PHE 129 Cb 1.25 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.79 1fvk h PHE 129 CO 0.53 0.15 0.18 0.28 -1.61 0.00 0.00 178.31 177.84 1fvk h VAL 130 N 0.00 1.24 -0.47 -0.55 2.07 -1.92 -0.77 116.25 115.85 1fvk h VAL 130 Ca -0.00 -0.80 -0.13 0.00 0.82 0.00 0.00 66.70 66.59 1fvk h VAL 130 Cb 0.89 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1fvk h VAL 130 CO 0.02 0.30 -0.21 0.58 0.02 0.00 0.00 177.57 178.28 1fvk h VAL 131 N 0.80 1.27 -0.81 2.57 2.07 -1.70 -1.87 116.25 118.58 1fvk h VAL 131 Ca 0.18 -1.37 0.02 0.00 0.82 0.00 0.00 66.70 66.36 1fvk h VAL 131 Cb 0.28 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 1fvk h VAL 131 CO -0.01 0.47 0.54 0.11 0.02 0.00 0.00 177.57 178.70 1fvk h LYS 132 N 0.82 1.03 -0.28 1.57 1.57 -0.99 -0.79 116.57 119.50 1fvk h LYS 132 Ca 0.11 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.70 1fvk h LYS 132 Cb 0.78 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1fvk h LYS 132 CO 0.06 0.68 -0.37 1.03 -0.57 0.00 0.00 179.45 180.29 1fvk h SER 133 N 1.06 0.67 0.02 0.86 0.87 -0.86 -2.05 113.55 114.11 1fvk h SER 133 Ca 0.31 -0.29 -0.07 0.00 -1.23 0.00 0.00 61.79 60.51 1fvk h SER 133 Cb -0.06 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 1fvk h SER 133 CO -0.08 0.97 -0.21 -0.07 -0.53 0.00 0.00 176.83 176.92 1fvk h LEU 134 N 0.53 0.33 -0.18 2.23 4.07 -0.43 -0.84 115.31 121.02 1fvk h LEU 134 Ca 0.05 -0.09 -0.07 0.00 0.08 0.00 0.00 57.88 57.85 1fvk h LEU 134 Cb 0.88 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 42.53 1fvk h LEU 134 CO 0.08 0.55 -0.17 0.58 -1.08 0.00 0.00 178.44 178.40 1fvk h VAL 135 N 0.31 1.34 -0.95 1.22 2.07 -0.96 -2.36 116.25 116.90 1fvk h VAL 135 Ca 0.05 -1.33 0.02 0.00 0.82 0.00 0.00 66.70 66.26 1fvk h VAL 135 Cb 0.54 1.81 -0.05 0.00 -1.52 0.00 0.00 31.29 32.07 1fvk h VAL 135 CO 0.04 0.40 0.63 0.00 0.02 0.00 0.00 177.57 178.65 1fvk h ALA 136 N 0.63 1.23 -0.35 1.67 0.00 -1.06 -0.95 119.26 120.43 1fvk h ALA 136 Ca 0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1fvk h ALA 136 Cb 0.71 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1fvk h ALA 136 CO 0.04 0.56 0.21 0.37 0.00 0.00 0.00 179.25 180.44 1fvk h GLN 137 N 1.26 0.47 -0.35 0.00 4.15 -1.13 0.12 115.11 119.64 1fvk h GLN 137 Ca 0.36 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.73 1fvk h GLN 137 Cb -0.09 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.48 1fvk h GLN 137 CO -0.09 0.36 0.18 1.96 -1.93 0.00 0.00 178.83 179.30 1fvk h GLN 138 N 0.45 0.49 -0.65 1.69 4.20 -0.86 -1.48 115.11 118.95 1fvk h GLN 138 Ca 0.12 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 1fvk h GLN 138 Cb 0.01 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 1fvk h GLN 138 CO -0.02 0.43 0.32 0.93 -0.67 0.00 0.00 178.83 179.81 1fvk h GLU 139 N 0.43 0.93 -0.18 1.46 5.08 -0.93 -2.71 114.58 118.67 1fvk h GLU 139 Ca 0.12 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1fvk h GLU 139 Cb 0.09 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1fvk h GLU 139 CO -0.02 0.74 0.10 -0.22 -1.00 0.00 0.00 179.01 178.62 1fvk h LYS 140 N 0.90 0.24 -0.79 2.33 3.64 -0.54 -1.29 116.57 121.06 1fvk h LYS 140 Ca 0.22 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.64 1fvk h LYS 140 Cb 0.11 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.83 1fvk h LYS 140 CO -0.03 0.21 0.52 0.00 -2.27 0.00 0.00 179.45 177.88 1fvk h ALA 141 N 1.02 1.63 -0.34 5.00 0.00 -1.14 0.55 119.26 125.97 1fvk h ALA 141 Ca 0.06 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1fvk h ALA 141 Cb 0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1fvk h ALA 141 CO -0.01 0.26 -0.42 0.00 0.00 0.00 0.00 179.25 179.07 1fvk h ALA 142 N 1.57 0.62 -0.49 0.00 0.00 -1.15 -3.07 119.26 116.73 1fvk h ALA 142 Ca 0.34 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1fvk h ALA 142 Cb 0.22 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1fvk h ALA 142 CO -0.12 0.67 0.18 0.00 0.00 0.00 0.00 179.25 179.99 1fvk h ALA 143 N 0.83 0.63 -0.62 0.00 0.00 0.00 -1.96 119.26 118.15 1fvk h ALA 143 Ca 0.05 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 54.93 1fvk h ALA 143 Cb 1.00 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1fvk h ALA 143 CO 0.10 0.25 0.42 -0.44 0.00 0.00 0.00 179.25 179.58 1fvk h ASP 144 N 0.65 0.27 -0.51 0.00 3.32 -0.86 -1.40 116.42 117.88 1fvk h ASP 144 Ca 0.16 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1fvk h ASP 144 Cb 0.21 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1fvk h ASP 144 CO -0.01 0.15 0.00 1.33 -1.72 0.00 0.00 179.24 178.99 1fvk n VAL 145 N -4.45 0.95 -3.86 -1.35 0.24 -1.15 -4.87 118.33 103.85 1fvk n VAL 145 Ca 0.11 -0.97 -0.24 0.00 -2.04 0.00 0.00 64.34 61.19 1fvk n VAL 145 Cb 0.48 0.55 0.00 0.00 -1.47 0.00 0.00 33.84 33.40 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 1.06 -4.07 -1.99 7.34 6.02 -0.53 -4.86 117.38 120.35 1fvk n GLN 146 Ca 0.17 0.50 -0.42 0.00 -0.01 0.00 0.00 57.00 57.24 1fvk n GLN 146 Cb 0.52 -4.87 -0.03 0.00 1.02 0.00 0.00 30.24 26.88 1fvk n GLN 146 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1fvk s LEU 147 N -6.87 4.36 0.00 1.08 2.96 -0.77 -4.89 118.68 114.54 1fvk s LEU 147 Ca 0.06 2.45 0.00 0.00 -0.22 0.00 0.00 54.13 56.42 1fvk s LEU 147 Cb -0.03 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.09 1fvk s LEU 147 CO 0.86 -0.83 0.53 -2.11 -1.32 0.00 0.00 176.35 173.48 1fvk n ARG 148 N 5.07 0.31 -3.49 1.98 1.85 -1.26 -4.97 116.66 116.14 1fvk n ARG 148 Ca 0.15 -0.66 -0.11 0.00 -1.00 0.00 0.00 57.85 56.23 1fvk n ARG 148 Cb 0.41 -0.85 -0.03 0.00 -1.05 0.00 0.00 32.46 30.93 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 -0.25 -0.50 0.08 2.89 0.00 -1.26 -5.16 107.32 103.11 1fvk s GLY 149 Ca 0.00 1.07 0.02 0.00 0.00 0.00 0.00 44.72 45.80 1fvk s GLY 149 CO 0.00 0.49 -0.07 -1.34 0.00 0.00 0.00 173.10 172.18 1fvk s VAL 150 N -2.69 0.60 0.61 1.40 -7.23 -1.26 -4.48 120.40 107.35 1fvk s VAL 150 Ca 0.00 -1.67 -0.16 0.00 -1.81 0.00 0.00 61.98 58.35 1fvk s VAL 150 Cb -0.01 -1.35 -0.03 0.00 0.56 0.00 0.00 36.38 35.56 1fvk s VAL 150 CO -0.06 -0.74 1.07 -2.16 -0.31 0.00 0.00 175.10 172.90 1fvk s PRO 151 N -3.17 3.22 -0.06 4.82 0.04 -1.26 -4.87 135.00 133.72 1fvk s PRO 151 Ca 0.05 1.24 -0.13 0.00 0.04 0.00 0.00 61.00 62.20 1fvk s PRO 151 Cb 0.01 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.56 1fvk s PRO 151 CO -0.04 -0.90 0.31 0.00 0.04 0.00 0.00 177.00 176.42 1fvk s ALA 152 N -2.43 -0.77 -0.02 8.56 0.00 -1.10 -5.01 121.76 121.00 1fvk s ALA 152 Ca 0.64 0.56 0.00 0.00 0.00 0.00 0.00 51.96 53.16 1fvk s ALA 152 Cb -0.17 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.79 1fvk s ALA 152 CO 0.38 -0.21 0.01 1.41 0.00 0.00 0.00 175.76 177.34 1fvk s MET 153 N -0.68 0.15 0.05 0.00 1.75 -1.26 -0.90 119.30 118.41 1fvk s MET 153 Ca -0.08 0.10 0.09 0.00 -1.25 0.00 0.00 55.69 54.55 1fvk s MET 153 Cb -0.04 -0.34 -0.03 0.00 2.84 0.00 0.00 34.83 37.26 1fvk s MET 153 CO 0.02 -0.12 -0.26 -0.06 -0.65 0.00 0.00 175.02 173.96 1fvk s PHE 154 N 0.88 2.35 -0.09 4.11 0.40 0.18 -1.56 117.98 124.25 1fvk s PHE 154 Ca -0.08 -0.40 0.04 0.00 -0.60 0.00 0.00 56.93 55.90 1fvk s PHE 154 Cb -0.11 -1.39 -0.00 0.00 0.51 0.00 0.00 43.02 42.02 1fvk s PHE 154 CO -0.02 0.15 -0.24 0.08 0.70 0.00 0.00 175.22 175.88 1fvk s VAL 155 N -0.83 2.07 -1.00 -0.44 1.01 0.06 -0.75 120.40 120.52 1fvk s VAL 155 Ca 0.12 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.07 1fvk s VAL 155 Cb -0.10 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.50 1fvk s VAL 155 CO 0.02 0.56 0.00 0.59 0.00 0.00 0.00 175.10 176.28 1fvk n ASN 156 N 3.38 -3.02 -0.52 3.32 3.02 0.12 -0.88 115.26 120.67 1fvk n ASN 156 Ca -0.19 0.25 -0.07 0.00 -0.03 0.00 0.00 54.58 54.55 1fvk n ASN 156 Cb 0.53 -2.77 -0.03 0.00 -0.61 0.00 0.00 39.78 36.89 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 -0.44 0.75 0.00 7.41 0.00 -1.26 -4.80 105.19 106.85 1fvk n GLY 157 Ca -0.11 -0.10 -0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.96 0.25 -4.38 1.61 5.02 -0.06 -1.21 118.16 118.42 1fvk n LYS 158 Ca -0.07 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.92 1fvk n LYS 158 Cb 0.45 -1.01 -0.11 0.00 -0.02 0.00 0.00 35.03 34.35 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 -2.01 2.66 -0.13 2.13 2.02 -0.97 -0.65 117.35 120.40 1fvk s TYR 159 Ca -0.01 -0.20 0.02 0.00 -0.37 0.00 0.00 57.07 56.52 1fvk s TYR 159 Cb 0.00 -1.44 0.01 0.00 -0.40 0.00 0.00 41.96 40.14 1fvk s TYR 159 CO 0.01 0.37 -0.20 -1.14 -1.57 0.00 0.00 175.55 173.02 1fvk s GLN 160 N -1.91 2.73 0.54 -0.62 0.74 -0.37 -0.76 119.66 120.01 1fvk s GLN 160 Ca 0.18 -0.75 -0.22 0.00 0.05 0.00 0.00 55.36 54.63 1fvk s GLN 160 Cb -0.11 -2.24 -0.05 0.00 1.10 0.00 0.00 33.01 31.71 1fvk s GLN 160 CO 0.10 -0.03 1.38 1.28 -0.55 0.00 0.00 175.29 177.47 1fvk n LEU 161 N 4.13 5.60 -3.68 3.68 7.99 -0.60 -1.11 117.00 133.00 1fvk n LEU 161 Ca -0.20 0.99 -0.29 0.00 -0.01 0.00 0.00 56.01 56.51 1fvk n LEU 161 Cb 0.51 -1.59 -0.12 0.00 -0.11 0.00 0.00 43.42 42.12 1fvk n LEU 161 CO 0.26 -0.51 -0.21 0.21 -1.51 0.00 0.00 177.39 175.63 1fvk s ASN 162 N -0.87 3.39 0.49 -1.43 2.47 -0.54 -4.77 114.94 113.67 1fvk s ASN 162 Ca 0.71 -3.03 0.33 0.00 0.42 0.00 0.00 52.86 51.29 1fvk s ASN 162 Cb -0.42 -1.03 1.77 0.00 -1.45 0.00 0.00 41.25 40.12 1fvk s ASN 162 CO 0.50 -0.20 2.02 1.55 -3.72 0.00 0.00 177.10 177.24 1fvk h PRO 163 N 6.14 0.00 0.00 0.43 0.13 -1.90 -2.75 132.00 134.06 1fvk h PRO 163 Ca 0.10 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 1fvk h PRO 163 Cb 0.88 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.01 1fvk h PRO 163 CO 0.51 0.00 -0.05 1.96 -0.23 0.00 0.00 178.00 180.19 1fvk h GLN 164 N 0.00 0.00 -1.83 0.86 7.50 -1.93 -3.03 115.11 116.67 1fvk h GLN 164 Ca 0.00 0.00 -0.55 0.00 0.50 0.00 0.00 58.65 58.60 1fvk h GLN 164 Cb 0.04 0.00 -0.20 0.00 0.05 0.00 0.00 27.48 27.37 1fvk h GLN 164 CO 0.00 0.05 0.59 0.41 -1.50 0.00 0.00 178.83 178.38 1fvk n GLY 165 N -0.97 4.72 3.42 3.46 0.00 -1.04 -4.91 105.19 109.87 1fvk n GLY 165 Ca -0.02 -1.94 -0.15 0.00 0.00 0.00 0.00 46.02 43.91 1fvk n GLY 165 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1fvk s MET 166 N -2.46 1.02 0.19 1.61 0.00 -1.15 -4.59 119.30 113.92 1fvk s MET 166 Ca 0.54 -0.09 -0.30 0.00 0.00 0.00 0.00 55.69 55.83 1fvk s MET 166 Cb 0.39 0.47 -0.08 0.00 0.00 0.00 0.00 34.83 35.61 1fvk s MET 166 CO -0.21 -0.35 1.16 0.34 0.00 0.00 0.00 175.02 175.95 1fvk s ASP 167 N -1.72 7.16 -0.11 -1.18 2.15 -1.26 -4.97 116.67 116.73 1fvk s ASP 167 Ca -0.07 2.19 0.15 0.00 0.43 0.00 0.00 52.55 55.24 1fvk s ASP 167 Cb -0.01 -2.61 0.33 0.00 -0.30 0.00 0.00 42.92 40.33 1fvk s ASP 167 CO 0.02 -0.31 1.23 0.35 -0.17 0.00 0.00 175.17 176.29 1fvk n THR 168 N 2.37 1.80 0.04 1.71 -2.24 -1.26 -4.19 114.28 112.50 1fvk n THR 168 Ca 0.03 -1.83 -0.08 0.00 -2.27 0.00 0.00 64.05 59.90 1fvk n THR 168 Cb 0.45 -0.06 0.07 0.00 -2.10 0.00 0.00 70.33 68.68 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 0.79 0.50 -3.08 3.42 4.64 -2.03 -3.40 113.55 114.39 1fvk h SER 169 Ca 0.00 -0.28 -0.67 0.00 -0.47 0.00 0.00 61.79 60.37 1fvk h SER 169 Cb 1.05 -0.14 -0.35 0.00 -0.31 0.00 0.00 62.40 62.65 1fvk h SER 169 CO 0.07 0.98 -0.85 0.21 -0.87 0.00 0.00 176.83 176.37 1fvk s ASN 170 N -6.93 3.19 0.12 4.97 3.84 -1.26 -5.02 114.94 113.85 1fvk s ASN 170 Ca -0.06 -0.64 -0.16 0.00 0.21 0.00 0.00 52.86 52.22 1fvk s ASN 170 Cb 0.11 -1.49 -0.02 0.00 -0.55 0.00 0.00 41.25 39.30 1fvk s ASN 170 CO 0.83 0.00 1.62 0.24 -2.79 0.00 0.00 177.10 177.00 1fvk h MET 171 N 7.94 0.63 -0.76 0.43 2.86 -1.92 -2.32 114.93 121.80 1fvk h MET 171 Ca -0.46 -0.16 0.03 0.00 -2.06 0.00 0.00 59.70 57.06 1fvk h MET 171 Cb 1.14 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.68 1fvk h MET 171 CO 0.64 0.67 0.48 -0.44 1.06 0.00 0.00 176.91 179.32 1fvk h ASP 172 N 0.49 0.80 -0.34 1.22 3.32 -1.97 0.11 116.42 120.06 1fvk h ASP 172 Ca 0.12 -0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.02 1fvk h ASP 172 Cb 0.33 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1fvk h ASP 172 CO 0.00 0.56 -0.32 0.58 -1.72 0.00 0.00 179.24 178.34 1fvk h VAL 173 N 0.95 1.27 -0.03 -1.35 2.07 -1.92 -1.57 116.25 115.67 1fvk h VAL 173 Ca 0.30 -1.49 -0.00 0.00 0.82 0.00 0.00 66.70 66.33 1fvk h VAL 173 Cb -0.00 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1fvk h VAL 173 CO -0.10 0.50 0.02 0.15 0.02 0.00 0.00 177.57 178.15 1fvk h PHE 174 N 0.73 0.05 -0.32 1.57 3.57 -0.89 0.04 116.94 121.70 1fvk h PHE 174 Ca 0.08 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.63 1fvk h PHE 174 Cb 0.89 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.57 1fvk h PHE 174 CO 0.05 0.14 0.02 0.28 -2.23 0.00 0.00 178.31 176.58 1fvk h VAL 175 N -0.06 0.79 -0.22 1.41 2.07 -0.90 0.63 116.25 119.98 1fvk h VAL 175 Ca 0.01 -0.04 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 1fvk h VAL 175 Cb 0.11 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1fvk h VAL 175 CO -0.00 0.02 -0.09 -0.61 0.02 0.00 0.00 177.57 176.91 1fvk h GLN 176 N 0.12 0.34 -0.30 1.57 4.15 -1.11 0.77 115.11 120.65 1fvk h GLN 176 Ca 0.15 -0.08 -0.15 0.00 0.77 0.00 0.00 58.65 59.34 1fvk h GLN 176 Cb 0.20 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 1fvk h GLN 176 CO -0.24 0.44 -0.43 0.37 -1.93 0.00 0.00 178.83 177.04 1fvk h GLN 177 N 0.33 0.76 -0.17 1.69 4.15 0.07 -0.24 115.11 121.70 1fvk h GLN 177 Ca 0.07 -0.42 -0.02 0.00 0.77 0.00 0.00 58.65 59.05 1fvk h GLN 177 Cb 0.36 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 1fvk h GLN 177 CO 0.02 1.04 0.02 -0.92 -1.93 0.00 0.00 178.83 177.06 1fvk h TYR 178 N 0.61 0.31 -0.60 3.99 5.03 -0.24 -1.88 116.97 124.19 1fvk h TYR 178 Ca 0.04 -0.05 -0.02 0.00 2.58 0.00 0.00 58.73 61.29 1fvk h TYR 178 Cb 0.99 -0.08 -0.03 0.00 1.55 0.00 0.00 36.73 39.16 1fvk h TYR 178 CO 0.05 0.47 0.31 0.00 -1.32 0.00 0.00 178.16 177.67 1fvk h ALA 179 N 0.80 0.77 -0.60 1.82 0.00 -0.75 -2.07 119.26 119.23 1fvk h ALA 179 Ca 0.05 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1fvk h ALA 179 Cb 0.33 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1fvk h ALA 179 CO 0.01 0.31 0.19 -0.44 0.00 0.00 0.00 179.25 179.32 1fvk h ASP 180 N 0.82 0.84 -0.48 0.00 3.32 -0.94 -1.74 116.42 118.23 1fvk h ASP 180 Ca 0.21 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 1fvk h ASP 180 Cb 0.08 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1fvk h ASP 180 CO -0.03 0.78 0.04 0.74 -1.72 0.00 0.00 179.24 179.05 1fvk h THR 181 N 0.88 1.26 -0.43 0.35 2.02 -1.03 -0.87 112.91 115.09 1fvk h THR 181 Ca 0.20 -1.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.38 1fvk h THR 181 Cb 0.25 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 1fvk h THR 181 CO -0.01 0.35 0.26 0.58 0.37 0.00 0.00 175.52 177.07 1fvk h VAL 182 N 0.69 1.13 -0.09 3.16 2.07 -1.03 0.57 116.25 122.75 1fvk h VAL 182 Ca 0.14 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.40 1fvk h VAL 182 Cb 0.45 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1fvk h VAL 182 CO 0.02 0.13 -0.01 0.50 0.02 0.00 0.00 177.57 178.23 1fvk h LYS 183 N 0.57 0.02 -0.11 1.57 3.64 -1.16 0.83 116.57 121.93 1fvk h LYS 183 Ca 0.15 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.57 1fvk h LYS 183 Cb -0.02 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.74 1fvk h LYS 183 CO -0.03 0.01 -0.20 -0.92 -2.27 0.00 0.00 179.45 176.05 1fvk h TYR 184 N 0.02 -0.52 -0.13 1.91 3.20 -0.75 -1.94 116.97 118.76 1fvk h TYR 184 Ca 0.04 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 1fvk h TYR 184 Cb 0.05 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 1fvk h TYR 184 CO -0.13 -0.28 -0.06 -0.07 -1.64 0.00 0.00 178.16 175.99 1fvk h LEU 185 N -0.27 0.17 -0.84 2.82 3.38 -0.54 -2.62 115.31 117.42 1fvk h LEU 185 Ca 0.09 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 1fvk h LEU 185 Cb 0.40 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1fvk h LEU 185 CO -0.26 0.26 -0.55 0.77 0.09 0.00 0.00 178.44 178.75 1fvk h SER 186 N 0.19 0.00 -0.66 -0.43 4.64 -0.08 -2.94 113.55 114.26 1fvk h SER 186 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1fvk h SER 186 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1fvk h SER 186 CO 0.01 0.55 0.00 -0.62 -0.87 0.00 0.00 176.83 175.90 1fvk n GLU 187 N -3.77 3.21 0.00 4.77 1.02 -0.94 -5.02 120.64 119.91 1fvk n GLU 187 Ca -0.01 -2.65 0.08 0.00 -0.02 0.00 0.00 57.16 54.56 1fvk n GLU 187 Cb 0.58 -1.74 0.07 0.00 -0.02 0.00 0.00 31.44 30.32 1fvk n GLU 187 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48