#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fvj h GLN 2 N 0.00 0.36 -5.10 0.00 1.08 -2.09 -3.43 115.11 105.93 1fvj h GLN 2 Ca 0.00 -0.62 -0.66 0.00 -1.45 0.00 0.00 58.65 55.92 1fvj h GLN 2 Cb 0.00 0.23 -0.29 0.00 -0.05 0.00 0.00 27.48 27.37 1fvj h GLN 2 CO 0.00 1.30 -0.77 0.71 -0.95 0.00 0.00 178.83 179.12 1fvj s TYR 3 N -2.54 2.87 0.01 2.96 2.02 -1.26 -5.01 117.35 116.41 1fvj s TYR 3 Ca -0.16 -1.03 0.06 0.00 -0.37 0.00 0.00 57.07 55.56 1fvj s TYR 3 Cb 0.05 -1.99 -0.02 0.00 -0.40 0.00 0.00 41.96 39.60 1fvj s TYR 3 CO 0.84 -0.52 -0.17 -1.21 -1.57 0.00 0.00 175.55 172.91 1fvj s GLU 4 N 1.14 1.32 0.26 -0.62 2.02 -1.26 -5.04 118.70 116.52 1fvj s GLU 4 Ca 0.01 -0.71 -0.30 0.00 0.02 0.00 0.00 54.97 53.99 1fvj s GLU 4 Cb -0.14 -1.32 -0.11 0.00 0.10 0.00 0.00 34.13 32.65 1fvj s GLU 4 CO -0.03 0.35 1.61 0.34 0.02 0.00 0.00 175.26 177.55 1fvj s ASP 5 N -0.68 6.40 0.00 -0.19 -1.08 -1.26 -0.31 116.67 119.55 1fvj s ASP 5 Ca 0.06 2.90 0.00 0.00 -0.52 0.00 0.00 52.55 54.99 1fvj s ASP 5 Cb -0.07 -2.62 0.00 0.00 -1.46 0.00 0.00 42.92 38.76 1fvj s ASP 5 CO 0.00 -0.91 0.00 0.61 0.52 0.00 0.00 175.17 175.39 1fvj n GLY 6 N 2.65 1.41 0.00 2.66 0.00 0.11 -4.92 105.19 107.11 1fvj n GLY 6 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1fvj n GLY 6 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1fvj n LYS 7 N -2.00 0.00 0.00 1.61 3.00 0.58 -4.82 118.16 116.53 1fvj n LYS 7 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 58.31 58.45 1fvj n LYS 7 Cb 0.00 0.00 0.48 0.00 0.00 0.00 0.00 35.03 35.51 1fvj n LYS 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1fvj n GLN 8 N -0.19 1.44 -3.50 1.64 0.00 -1.19 -4.09 117.38 111.49 1fvj n GLN 8 Ca 0.00 -0.84 -0.12 0.00 0.00 0.00 0.00 57.00 56.04 1fvj n GLN 8 Cb 0.00 -1.48 -0.04 0.00 0.00 0.00 0.00 30.24 28.72 1fvj n GLN 8 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.06 178.58 1fvj s TYR 9 N -2.14 -0.49 0.20 2.61 1.13 -1.26 -1.41 117.35 115.99 1fvj s TYR 9 Ca 0.34 0.56 0.11 0.00 -1.41 0.00 0.00 57.07 56.66 1fvj s TYR 9 Cb 0.20 0.50 -0.04 0.00 -1.10 0.00 0.00 41.96 41.52 1fvj s TYR 9 CO 0.39 -0.61 -0.21 0.95 -2.51 0.00 0.00 175.55 173.55 1fvj s THR 10 N -2.45 2.20 -0.13 -3.49 -4.23 -0.50 0.09 115.64 107.13 1fvj s THR 10 Ca -0.01 -2.07 -0.06 0.00 -1.18 0.00 0.00 61.69 58.37 1fvj s THR 10 Cb -0.01 -2.07 -0.04 0.00 1.34 0.00 0.00 72.50 71.73 1fvj s THR 10 CO -0.03 -0.24 0.07 -0.89 -0.54 0.00 0.00 174.62 172.99 1fvj s THR 11 N -1.98 4.91 0.16 3.99 2.01 -1.26 -1.70 115.64 121.78 1fvj s THR 11 Ca 0.21 -0.01 -0.31 0.00 0.31 0.00 0.00 61.69 61.89 1fvj s THR 11 Cb -0.06 -3.15 -0.08 0.00 0.01 0.00 0.00 72.50 69.21 1fvj s THR 11 CO 0.10 0.56 1.37 -0.76 -0.69 0.00 0.00 174.62 175.19 1fvj s LEU 12 N -0.49 4.39 0.31 4.42 1.43 0.19 -4.91 118.68 124.01 1fvj s LEU 12 Ca 0.10 2.39 0.01 0.00 -1.03 0.00 0.00 54.13 55.60 1fvj s LEU 12 Cb -0.12 -3.60 0.49 0.00 0.03 0.00 0.00 46.19 42.99 1fvj s LEU 12 CO 0.02 -0.62 1.87 1.05 0.23 0.00 0.00 176.35 178.90 1fvj h GLU 13 N 6.11 0.76 -3.13 1.70 -0.00 -1.98 -3.33 114.58 114.72 1fvj h GLU 13 Ca -0.43 -0.13 -0.62 0.00 -0.00 0.00 0.00 59.36 58.17 1fvj h GLU 13 Cb 1.21 -0.13 -0.40 0.00 -0.00 0.00 0.00 28.75 29.43 1fvj h GLU 13 CO 0.82 0.67 -0.70 -1.59 -0.00 0.00 0.00 179.01 178.21 1fvj s LYS 14 N -5.25 1.55 0.37 1.06 0.00 -1.26 -5.11 119.74 111.10 1fvj s LYS 14 Ca -0.09 -2.25 -0.28 0.00 0.00 0.00 0.00 55.97 53.35 1fvj s LYS 14 Cb 0.16 -2.70 -0.11 0.00 0.00 0.00 0.00 37.83 35.17 1fvj s LYS 14 CO 0.79 -1.15 1.39 -0.35 0.00 0.00 0.00 175.35 176.03 1fvj n PRO 15 N 3.35 2.39 -3.21 1.78 -0.04 -1.25 -4.97 135.00 133.04 1fvj n PRO 15 Ca 0.08 0.84 -0.41 0.00 -0.04 0.00 0.00 63.50 63.96 1fvj n PRO 15 Cb 0.34 -2.51 -0.07 0.00 -0.04 0.00 0.00 33.50 31.21 1fvj n PRO 15 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1fvj s VAL 16 N -1.12 5.00 0.24 0.52 1.01 -0.27 -5.02 120.40 120.76 1fvj s VAL 16 Ca 0.55 0.51 -0.30 0.00 0.00 0.00 0.00 61.98 62.74 1fvj s VAL 16 Cb -0.51 -3.96 -0.09 0.00 0.00 0.00 0.00 36.38 31.82 1fvj s VAL 16 CO 0.62 -0.18 0.96 0.00 0.00 0.00 0.00 175.10 176.51 1fvj s ALA 17 N 2.45 3.34 0.00 5.51 0.00 -1.26 -3.63 121.76 128.17 1fvj s ALA 17 Ca 0.20 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.82 1fvj s ALA 17 Cb -0.15 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1fvj s ALA 17 CO 0.13 0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.45 1fvj n GLY 18 N 1.49 0.82 3.77 0.00 0.00 -1.26 -5.02 105.19 104.99 1fvj n GLY 18 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1fvj n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fvj s ALA 19 N -3.36 2.69 0.76 4.61 0.00 -1.24 -4.99 121.76 120.24 1fvj s ALA 19 Ca 0.00 0.82 -0.15 0.00 0.00 0.00 0.00 51.96 52.63 1fvj s ALA 19 Cb 0.00 -3.36 0.04 0.00 0.00 0.00 0.00 23.12 19.80 1fvj s ALA 19 CO 0.00 -0.77 1.09 -2.30 0.00 0.00 0.00 175.76 173.78 1fvj n PRO 20 N -1.31 0.40 0.09 0.00 -0.02 -1.26 -4.66 135.00 128.24 1fvj n PRO 20 Ca 0.12 0.20 -0.13 0.00 -2.02 0.00 0.00 63.50 61.67 1fvj n PRO 20 Cb 0.51 -2.34 -0.06 0.00 -0.02 0.00 0.00 33.50 31.59 1fvj n PRO 20 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1fvj h GLN 21 N -0.51 -0.50 -4.66 -0.52 4.20 -1.93 -3.38 115.11 107.81 1fvj h GLN 21 Ca -0.47 0.03 -0.61 0.00 0.06 0.00 0.00 58.65 57.66 1fvj h GLN 21 Cb 1.32 0.11 -0.36 0.00 0.30 0.00 0.00 27.48 28.85 1fvj h GLN 21 CO 0.47 -0.34 -0.83 0.08 -0.67 0.00 0.00 178.83 177.54 1fvj s VAL 22 N -6.00 1.64 -0.17 -0.54 1.01 -1.19 0.15 120.40 115.29 1fvj s VAL 22 Ca -0.16 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.02 1fvj s VAL 22 Cb 0.08 -1.60 0.01 0.00 0.00 0.00 0.00 36.38 34.87 1fvj s VAL 22 CO 0.65 0.34 -0.19 -0.22 0.00 0.00 0.00 175.10 175.68 1fvj s LEU 23 N 1.43 2.23 -0.06 3.92 0.20 -0.02 -1.10 118.68 125.28 1fvj s LEU 23 Ca 0.02 -0.60 0.02 0.00 0.69 0.00 0.00 54.13 54.27 1fvj s LEU 23 Cb -0.14 -1.50 -0.03 0.00 -0.43 0.00 0.00 46.19 44.09 1fvj s LEU 23 CO -0.10 0.03 -0.11 -0.70 -0.29 0.00 0.00 176.35 175.18 1fvj s GLU 24 N 1.13 2.62 0.00 1.98 2.12 0.17 -0.52 118.70 126.21 1fvj s GLU 24 Ca 0.01 -0.62 0.08 0.00 0.36 0.00 0.00 54.97 54.80 1fvj s GLU 24 Cb -0.14 -2.48 -0.02 0.00 0.26 0.00 0.00 34.13 31.75 1fvj s GLU 24 CO -0.08 0.64 -0.26 -0.06 -0.54 0.00 0.00 175.26 174.97 1fvj s PHE 25 N -0.77 2.28 0.32 5.30 0.08 -0.24 -0.63 117.98 124.32 1fvj s PHE 25 Ca 0.12 -0.42 -0.15 0.00 0.12 0.00 0.00 56.93 56.60 1fvj s PHE 25 Cb -0.11 -1.43 0.03 0.00 -0.57 0.00 0.00 43.02 40.94 1fvj s PHE 25 CO 0.01 0.02 0.66 -0.59 -0.10 0.00 0.00 175.22 175.21 1fvj s PHE 26 N -0.67 0.23 -0.05 0.36 -0.71 -0.59 -2.37 117.98 114.18 1fvj s PHE 26 Ca 0.10 -0.71 -0.07 0.00 -1.04 0.00 0.00 56.93 55.21 1fvj s PHE 26 Cb -0.10 0.53 0.01 0.00 -1.21 0.00 0.00 43.02 42.25 1fvj s PHE 26 CO 0.00 -1.29 0.18 0.45 -1.34 0.00 0.00 175.22 173.21 1fvj s SER 27 N -3.04 -0.15 0.08 1.98 0.15 -1.26 -1.79 113.70 109.66 1fvj s SER 27 Ca 0.18 0.25 0.19 0.00 0.70 0.00 0.00 55.95 57.27 1fvj s SER 27 Cb -0.04 0.34 0.79 0.00 -1.71 0.00 0.00 66.02 65.40 1fvj s SER 27 CO 0.11 -0.13 1.59 0.49 1.20 0.00 0.00 173.24 176.50 1fvj n PHE 28 N 2.65 0.26 0.92 3.44 3.72 -1.26 -2.03 117.46 125.15 1fvj n PHE 28 Ca -0.15 0.10 0.11 0.00 -0.05 0.00 0.00 57.45 57.46 1fvj n PHE 28 Cb 0.58 -0.66 0.14 0.00 -0.94 0.00 0.00 39.48 38.60 1fvj n PHE 28 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1fvj n PHE 29 N -1.73 0.06 -2.82 1.38 3.72 -1.26 -4.59 117.46 112.22 1fvj n PHE 29 Ca 0.04 0.02 -0.43 0.00 -0.05 0.00 0.00 57.45 57.03 1fvj n PHE 29 Cb 0.21 -0.24 -0.04 0.00 -0.94 0.00 0.00 39.48 38.47 1fvj n PHE 29 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1fvj h PRO 31 N 8.46 0.29 -0.05 0.00 0.11 -1.89 -1.62 132.00 137.29 1fvj h PRO 31 Ca -0.23 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.78 1fvj h PRO 31 Cb 1.08 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1fvj h PRO 31 CO 0.97 0.19 -0.34 -0.92 -0.21 0.00 0.00 178.00 177.69 1fvj h TYR 32 N 0.30 0.10 -0.44 0.65 3.20 -1.92 -2.42 116.97 116.44 1fvj h TYR 32 Ca 0.21 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.01 1fvj h TYR 32 Cb 0.23 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 1fvj h TYR 32 CO -0.17 0.43 0.06 0.00 -1.64 0.00 0.00 178.16 176.84 1fvj h TYR 34 N 0.66 0.35 0.08 0.00 5.03 -0.92 -1.26 116.97 120.90 1fvj h TYR 34 Ca 0.14 -0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.43 1fvj h TYR 34 Cb 0.32 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 38.49 1fvj h TYR 34 CO 0.01 0.35 -0.04 1.96 -1.32 0.00 0.00 178.16 179.12 1fvj h GLN 35 N 0.24 -0.10 -0.58 1.82 1.08 -1.11 0.18 115.11 116.64 1fvj h GLN 35 Ca 0.08 0.01 0.12 0.00 -1.45 0.00 0.00 58.65 57.40 1fvj h GLN 35 Cb 0.14 0.02 -0.11 0.00 -0.05 0.00 0.00 27.48 27.48 1fvj h GLN 35 CO -0.01 -0.06 -0.15 0.74 -0.95 0.00 0.00 178.83 178.40 1fvj h PHE 36 N -0.12 -0.32 0.00 2.96 -1.00 -0.74 0.17 116.94 117.90 1fvj h PHE 36 Ca -0.01 0.05 -0.06 0.00 2.81 0.00 0.00 57.97 60.76 1fvj h PHE 36 Cb 0.09 0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.87 1fvj h PHE 36 CO -0.07 -0.25 -0.37 1.49 -1.61 0.00 0.00 178.31 177.50 1fvj h GLU 37 N -0.00 0.00 0.12 1.51 4.57 -1.06 0.16 114.58 119.88 1fvj h GLU 37 Ca 0.28 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 58.17 1fvj h GLU 37 Cb 0.42 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.01 1fvj h GLU 37 CO -0.60 0.84 -1.35 0.93 -1.18 0.00 0.00 179.01 177.66 1fvj h GLU 38 N -1.00 0.25 0.00 1.92 4.39 -0.67 -3.21 114.58 116.27 1fvj h GLU 38 Ca -0.10 -0.43 -0.44 0.00 0.34 0.00 0.00 59.36 58.73 1fvj h GLU 38 Cb 0.95 0.16 -0.07 0.00 -0.10 0.00 0.00 28.75 29.69 1fvj h GLU 38 CO -0.06 1.16 -2.46 0.28 -1.16 0.00 0.00 179.01 176.78 1fvj n VAL 39 N -3.49 1.43 0.06 3.13 0.31 -0.56 -4.67 118.33 114.54 1fvj n VAL 39 Ca -0.11 -0.37 -0.10 0.00 -0.01 0.00 0.00 64.34 63.74 1fvj n VAL 39 Cb 1.03 -1.84 -0.13 0.00 -0.91 0.00 0.00 33.84 31.99 1fvj n VAL 39 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1fvj h LEU 40 N -0.90 0.14 -0.90 7.52 4.07 -0.81 -3.48 115.31 120.94 1fvj h LEU 40 Ca -0.66 -0.16 -0.38 0.00 0.08 0.00 0.00 57.88 56.76 1fvj h LEU 40 Cb 1.59 -0.05 0.14 0.00 1.08 0.00 0.00 40.66 43.42 1fvj h LEU 40 CO -0.39 1.13 -0.65 1.41 -1.08 0.00 0.00 178.44 178.86 1fvj n HIS 41 N -3.37 -2.73 -0.15 1.13 8.25 0.36 -4.92 115.22 113.78 1fvj n HIS 41 Ca -0.06 0.97 -0.04 0.00 -0.26 0.00 0.00 57.72 58.33 1fvj n HIS 41 Cb 0.98 -4.87 0.03 0.00 1.12 0.00 0.00 29.99 27.25 1fvj n HIS 41 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1fvj h ILE 42 N -2.55 0.45 -0.33 1.59 1.08 -1.28 -2.67 117.51 113.80 1fvj h ILE 42 Ca -0.54 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 63.97 1fvj h ILE 42 Cb 1.35 0.45 -0.04 0.00 -3.07 0.00 0.00 36.82 35.51 1fvj h ILE 42 CO 0.53 0.00 0.09 0.28 -0.69 0.00 0.00 178.15 178.36 1fvj h SER 43 N -0.06 0.07 -0.24 1.72 0.02 -1.92 -0.63 113.55 112.51 1fvj h SER 43 Ca 0.22 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.23 1fvj h SER 43 Cb 0.40 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1fvj h SER 43 CO -0.51 0.07 0.15 0.44 -1.14 0.00 0.00 176.83 175.84 1fvj h ASP 44 N 0.22 0.25 -0.28 3.07 3.32 -1.90 -0.08 116.42 121.02 1fvj h ASP 44 Ca 0.15 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.14 1fvj h ASP 44 Cb 0.15 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1fvj h ASP 44 CO -0.18 0.18 -0.04 0.78 -1.72 0.00 0.00 179.24 178.26 1fvj h ASN 45 N 0.31 0.61 -0.13 6.45 2.35 -1.20 -0.42 115.58 123.55 1fvj h ASN 45 Ca 0.09 -0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 1fvj h ASN 45 Cb -0.02 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 1fvj h ASN 45 CO -0.03 0.70 -0.04 0.58 -1.65 0.00 0.00 177.43 176.99 1fvj h VAL 46 N 0.60 1.29 -0.46 2.81 2.07 -0.83 -3.07 116.25 118.66 1fvj h VAL 46 Ca 0.12 -0.99 0.08 0.00 0.82 0.00 0.00 66.70 66.72 1fvj h VAL 46 Cb 0.43 1.69 -0.06 0.00 -1.52 0.00 0.00 31.29 31.82 1fvj h VAL 46 CO 0.02 0.29 0.09 0.11 0.02 0.00 0.00 177.57 178.10 1fvj h LYS 47 N -0.06 0.22 0.00 1.57 1.57 -0.61 -0.52 116.57 118.73 1fvj h LYS 47 Ca 0.03 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1fvj h LYS 47 Cb 0.46 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1fvj h LYS 47 CO 0.01 0.15 0.00 1.63 -0.57 0.00 0.00 179.45 180.67 1fvj n LYS 48 N -5.11 0.02 0.00 3.15 5.02 -0.20 -2.48 118.16 118.57 1fvj n LYS 48 Ca 0.04 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.68 1fvj n LYS 48 Cb 0.22 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 1fvj n LYS 48 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1fvj n LYS 49 N -1.37 6.56 -2.09 1.97 5.02 -0.27 -5.06 118.16 122.92 1fvj n LYS 49 Ca 0.01 -0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.94 1fvj n LYS 49 Cb 0.02 -0.48 0.02 0.00 -0.02 0.00 0.00 35.03 34.58 1fvj n LYS 49 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1fvj s LEU 50 N -1.88 3.73 1.23 -0.35 1.43 -0.81 -4.84 118.68 117.20 1fvj s LEU 50 Ca 0.00 2.35 -0.16 0.00 -1.03 0.00 0.00 54.13 55.29 1fvj s LEU 50 Cb 0.00 -4.54 0.30 0.00 0.03 0.00 0.00 46.19 41.98 1fvj s LEU 50 CO 0.00 -1.43 1.01 -2.84 0.23 0.00 0.00 176.35 173.32 1fvj s PRO 51 N -3.24 -1.45 0.20 1.29 0.02 -1.26 -4.94 135.00 125.62 1fvj s PRO 51 Ca 0.75 0.51 -0.30 0.00 0.02 0.00 0.00 61.00 61.98 1fvj s PRO 51 Cb -0.29 -1.52 -0.08 0.00 0.02 0.00 0.00 34.50 32.63 1fvj s PRO 51 CO 0.32 -3.99 1.06 -1.83 -0.33 0.00 0.00 177.00 172.23 1fvj s GLU 52 N -4.76 4.65 0.00 5.54 1.03 -1.26 -3.26 118.70 120.64 1fvj s GLU 52 Ca 0.68 1.67 0.00 0.00 0.03 0.00 0.00 54.97 57.35 1fvj s GLU 52 Cb -0.20 -3.27 0.00 0.00 -0.80 0.00 0.00 34.13 29.86 1fvj s GLU 52 CO 0.61 0.18 0.00 0.41 -1.33 0.00 0.00 175.26 175.13 1fvj n GLY 53 N 1.84 0.74 3.47 -3.83 0.00 -1.26 -5.03 105.19 101.12 1fvj n GLY 53 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1fvj n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fvj s VAL 54 N -2.77 4.66 0.02 1.61 1.01 -1.20 -5.09 120.40 118.64 1fvj s VAL 54 Ca 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 61.98 61.77 1fvj s VAL 54 Cb 0.00 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1fvj s VAL 54 CO 0.00 0.20 0.13 -1.59 0.00 0.00 0.00 175.10 173.84 1fvj s LYS 55 N 1.65 3.20 -0.20 2.72 0.00 -1.26 -4.86 119.74 120.99 1fvj s LYS 55 Ca 0.06 -0.47 -0.09 0.00 0.00 0.00 0.00 55.97 55.47 1fvj s LYS 55 Cb -0.16 -2.93 -0.04 0.00 0.00 0.00 0.00 37.83 34.69 1fvj s LYS 55 CO 0.06 0.63 0.10 -1.64 0.00 0.00 0.00 175.35 174.51 1fvj s MET 56 N -2.06 4.02 -0.11 1.78 -1.94 -1.26 -3.19 119.30 116.53 1fvj s MET 56 Ca 0.27 -0.31 0.01 0.00 -1.71 0.00 0.00 55.69 53.96 1fvj s MET 56 Cb -0.12 -3.34 -0.01 0.00 2.01 0.00 0.00 34.83 33.36 1fvj s MET 56 CO 0.19 0.19 -0.16 0.99 -0.01 0.00 0.00 175.02 176.23 1fvj s THR 57 N 0.62 2.84 -0.16 2.05 2.01 -0.26 -5.03 115.64 117.71 1fvj s THR 57 Ca 0.05 -0.75 0.01 0.00 0.31 0.00 0.00 61.69 61.32 1fvj s THR 57 Cb -0.13 -2.16 0.01 0.00 0.01 0.00 0.00 72.50 70.24 1fvj s THR 57 CO 0.01 0.54 -0.20 -0.75 -0.69 0.00 0.00 174.62 173.53 1fvj s LYS 58 N 0.20 3.04 0.14 4.92 2.20 -1.26 -0.66 119.74 128.32 1fvj s LYS 58 Ca -0.09 -0.83 0.11 0.00 -0.36 0.00 0.00 55.97 54.80 1fvj s LYS 58 Cb -0.16 -2.53 -0.04 0.00 -1.51 0.00 0.00 37.83 33.60 1fvj s LYS 58 CO 0.06 -0.09 -0.26 0.71 -0.36 0.00 0.00 175.35 175.41 1fvj s TYR 59 N 1.01 2.32 0.21 4.03 2.02 0.20 -4.98 117.35 122.17 1fvj s TYR 59 Ca -0.02 -0.37 0.01 0.00 -0.37 0.00 0.00 57.07 56.32 1fvj s TYR 59 Cb -0.15 -1.24 -0.04 0.00 -0.40 0.00 0.00 41.96 40.14 1fvj s TYR 59 CO -0.06 0.36 0.38 -1.58 -1.57 0.00 0.00 175.55 173.08 1fvj s HIS 60 N -1.14 3.48 0.25 2.71 2.46 -1.26 -1.54 115.29 120.25 1fvj s HIS 60 Ca 0.15 0.21 0.11 0.00 0.47 0.00 0.00 55.06 56.01 1fvj s HIS 60 Cb -0.10 -1.75 -0.05 0.00 -0.13 0.00 0.00 32.58 30.55 1fvj s HIS 60 CO 0.07 0.40 -0.19 0.14 -2.47 0.00 0.00 174.74 172.68 1fvj s VAL 61 N -1.91 2.56 -0.15 0.89 -7.23 -0.74 -4.83 120.40 108.99 1fvj s VAL 61 Ca 0.37 -2.23 0.19 0.00 -1.81 0.00 0.00 61.98 58.50 1fvj s VAL 61 Cb -0.10 -2.31 -0.14 0.00 0.56 0.00 0.00 36.38 34.39 1fvj s VAL 61 CO 0.30 -0.31 0.77 0.59 -0.31 0.00 0.00 175.10 176.15 1fvj n ASN 62 N -0.37 0.66 -0.05 4.85 3.02 -1.26 -4.52 115.26 117.59 1fvj n ASN 62 Ca -0.07 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 1fvj n ASN 62 Cb 0.59 0.58 0.00 0.00 -0.61 0.00 0.00 39.78 40.34 1fvj n ASN 62 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1fvj n PHE 63 N -2.72 0.00 -4.15 3.10 1.16 -1.26 -4.53 117.46 109.06 1fvj n PHE 63 Ca -0.08 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.34 1fvj n PHE 63 Cb 0.74 -0.00 -0.15 0.00 -1.61 0.00 0.00 39.48 38.46 1fvj n PHE 63 CO 0.00 0.00 0.00 -1.64 -1.87 0.00 0.00 176.76 173.25 1fvj s MET 64 N -1.89 0.43 0.00 3.97 -1.94 -1.26 -4.84 119.30 113.76 1fvj s MET 64 Ca 0.00 -0.17 0.00 0.00 -1.71 0.00 0.00 55.69 53.81 1fvj s MET 64 Cb 0.00 -0.43 0.00 0.00 2.01 0.00 0.00 34.83 36.41 1fvj s MET 64 CO 0.00 0.09 0.00 0.41 -0.01 0.00 0.00 175.02 175.51 1fvj n GLY 65 N 3.05 0.76 7.00 -0.03 0.00 -1.26 -3.98 105.19 110.72 1fvj n GLY 65 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1fvj n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fvj n GLY 66 N -2.31 3.48 0.27 -0.02 0.00 -1.26 -2.45 105.19 102.90 1fvj n GLY 66 Ca 0.00 0.14 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 1fvj n GLY 66 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1fvj h ASP 67 N 0.00 -0.66 -0.06 1.61 3.32 -1.94 -1.99 116.42 116.70 1fvj h ASP 67 Ca 0.00 0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.14 1fvj h ASP 67 Cb 0.00 0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 1fvj h ASP 67 CO 0.00 -0.32 0.04 -0.07 -1.72 0.00 0.00 179.24 177.18 1fvj h LEU 68 N -0.42 0.03 -0.52 1.55 3.38 -1.85 -2.07 115.31 115.41 1fvj h LEU 68 Ca 0.03 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1fvj h LEU 68 Cb 0.45 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1fvj h LEU 68 CO -0.14 0.02 0.24 1.23 0.09 0.00 0.00 178.44 179.87 1fvj h GLY 69 N 0.03 0.82 1.51 0.83 0.00 -1.06 -0.00 103.07 105.19 1fvj h GLY 69 Ca 0.03 -0.42 -0.13 0.00 0.00 0.00 0.00 47.33 46.81 1fvj h GLY 69 CO -0.00 0.40 -0.38 0.50 0.00 0.00 0.00 176.54 177.05 1fvj h LYS 70 N 0.70 0.55 -0.71 4.80 1.57 -1.10 -2.57 116.57 119.81 1fvj h LYS 70 Ca 0.18 -0.27 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1fvj h LYS 70 Cb 0.14 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 1fvj h LYS 70 CO -0.02 0.84 0.44 -0.44 -0.57 0.00 0.00 179.45 179.70 1fvj h ASP 71 N 0.46 0.85 -0.00 0.86 3.32 -0.90 -2.34 116.42 118.66 1fvj h ASP 71 Ca 0.04 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 1fvj h ASP 71 Cb 0.87 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 1fvj h ASP 71 CO 0.07 0.65 -0.23 -0.07 -1.72 0.00 0.00 179.24 177.94 1fvj h LEU 72 N 0.97 0.39 -0.86 1.55 3.38 -0.89 0.39 115.31 120.23 1fvj h LEU 72 Ca 0.26 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 1fvj h LEU 72 Cb -0.05 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1fvj h LEU 72 CO -0.05 0.62 -0.23 0.74 0.09 0.00 0.00 178.44 179.61 1fvj h THR 73 N 0.35 1.27 -0.23 0.22 2.02 -1.07 0.15 112.91 115.62 1fvj h THR 73 Ca 0.06 -1.28 -0.20 0.00 0.77 0.00 0.00 66.41 65.76 1fvj h THR 73 Cb 0.60 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 1fvj h THR 73 CO 0.04 0.41 -0.64 -0.61 0.37 0.00 0.00 175.52 175.09 1fvj h GLN 74 N 0.52 0.84 -0.51 6.66 4.15 -0.91 -1.25 115.11 124.61 1fvj h GLN 74 Ca 0.08 -0.60 -0.05 0.00 0.77 0.00 0.00 58.65 58.84 1fvj h GLN 74 Cb 0.68 0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.44 1fvj h GLN 74 CO 0.05 1.22 0.09 0.00 -1.93 0.00 0.00 178.83 178.26 1fvj h ALA 75 N 0.62 1.21 -0.40 3.38 0.00 -0.64 -0.08 119.26 123.35 1fvj h ALA 75 Ca -0.01 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 1fvj h ALA 75 Cb 1.26 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1fvj h ALA 75 CO 0.14 0.54 -0.23 2.35 0.00 0.00 0.00 179.25 182.04 1fvj h TRP 76 N 0.76 0.92 -0.78 0.00 2.91 -0.56 -0.43 115.95 118.78 1fvj h TRP 76 Ca 0.16 -0.22 0.02 0.00 1.13 0.00 0.00 58.89 59.99 1fvj h TRP 76 Cb 0.33 -0.22 -0.04 0.00 -0.51 0.00 0.00 29.16 28.72 1fvj h TRP 76 CO 0.02 0.96 0.51 0.00 -1.03 0.00 0.00 178.44 178.90 1fvj h ALA 77 N 1.03 1.01 -0.65 2.65 0.00 -0.24 -0.21 119.26 122.85 1fvj h ALA 77 Ca 0.09 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1fvj h ALA 77 Cb 0.76 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1fvj h ALA 77 CO 0.06 0.36 0.34 0.28 0.00 0.00 0.00 179.25 180.29 1fvj h VAL 78 N 1.01 1.21 -0.64 0.00 2.07 -0.29 -0.54 116.25 119.08 1fvj h VAL 78 Ca 0.30 -0.56 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 1fvj h VAL 78 Cb -0.06 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 1fvj h VAL 78 CO -0.09 0.24 0.24 0.00 0.02 0.00 0.00 177.57 177.98 1fvj h ALA 79 N 1.16 1.22 -0.17 1.67 0.00 -0.29 -0.99 119.26 121.86 1fvj h ALA 79 Ca 0.23 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1fvj h ALA 79 Cb 0.07 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1fvj h ALA 79 CO -0.03 0.57 -0.24 0.52 0.00 0.00 0.00 179.25 180.06 1fvj h MET 80 N 0.93 0.46 -0.41 0.00 2.86 -0.53 -0.27 114.93 117.97 1fvj h MET 80 Ca 0.22 -0.27 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1fvj h MET 80 Cb 0.20 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 1fvj h MET 80 CO -0.02 0.86 0.25 0.00 1.06 0.00 0.00 176.91 179.06 1fvj h ALA 81 N 0.60 0.52 0.00 6.32 0.00 -0.88 -2.60 119.26 123.22 1fvj h ALA 81 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1fvj h ALA 81 Cb 0.81 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1fvj h ALA 81 CO 0.06 0.01 -0.02 1.28 0.00 0.00 0.00 179.25 180.57 1fvj n LEU 82 N -4.77 0.50 -1.24 0.00 4.77 -0.40 -4.93 117.00 110.93 1fvj n LEU 82 Ca 0.01 0.53 -0.09 0.00 -0.03 0.00 0.00 56.01 56.43 1fvj n LEU 82 Cb 0.05 -0.38 0.01 0.00 -2.33 0.00 0.00 43.42 40.76 1fvj n LEU 82 CO 0.35 -0.10 -0.04 0.61 -1.33 0.00 0.00 177.39 176.87 1fvj n GLY 83 N 1.39 0.11 0.87 -0.72 0.00 -0.27 -4.95 105.19 101.62 1fvj n GLY 83 Ca 0.06 -0.45 0.02 0.00 0.00 0.00 0.00 46.02 45.65 1fvj n GLY 83 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1fvj n VAL 84 N -3.86 2.35 -0.20 1.61 0.24 -0.30 -4.77 118.33 113.40 1fvj n VAL 84 Ca -0.07 -2.52 0.01 0.00 -2.04 0.00 0.00 64.34 59.72 1fvj n VAL 84 Cb 0.56 -0.28 0.12 0.00 -1.47 0.00 0.00 33.84 32.76 1fvj n VAL 84 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1fvj h GLU 85 N 1.06 0.29 0.00 7.34 3.07 -1.93 -0.26 114.58 124.16 1fvj h GLU 85 Ca 0.11 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 1fvj h GLU 85 Cb 1.43 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.28 1fvj h GLU 85 CO 0.24 0.19 0.00 -0.25 -1.40 0.00 0.00 179.01 177.80 1fvj n ASP 86 N -5.09 0.00 -0.10 1.42 8.00 -1.26 -1.77 116.55 117.75 1fvj n ASP 86 Ca 0.09 0.37 -0.13 0.00 0.71 0.00 0.00 54.79 55.83 1fvj n ASP 86 Cb 0.32 -0.43 -0.14 0.00 -0.02 0.00 0.00 41.12 40.85 1fvj n ASP 86 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1fvj n LYS 87 N -1.43 0.68 -0.00 -1.24 4.76 -0.15 -4.66 118.16 116.13 1fvj n LYS 87 Ca 0.03 0.09 0.09 0.00 -2.87 0.00 0.00 58.31 55.65 1fvj n LYS 87 Cb 0.11 -1.56 -0.12 0.00 -1.84 0.00 0.00 35.03 31.62 1fvj n LYS 87 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1fvj n VAL 88 N -2.99 0.00 0.13 -0.18 0.24 -0.98 -4.58 118.33 109.97 1fvj n VAL 88 Ca -0.36 -0.15 -0.13 0.00 -2.04 0.00 0.00 64.34 61.66 1fvj n VAL 88 Cb 1.09 0.76 -0.06 0.00 -1.47 0.00 0.00 33.84 34.15 1fvj n VAL 88 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1fvj h THR 89 N 0.00 0.60 0.55 3.34 2.02 -1.61 -1.29 112.91 116.51 1fvj h THR 89 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1fvj h THR 89 Cb 0.56 0.60 0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1fvj h THR 89 CO 0.00 0.00 -0.26 0.58 0.37 0.00 0.00 175.52 176.21 1fvj h VAL 90 N -0.39 0.44 0.00 3.16 2.07 -1.86 -1.43 116.25 118.24 1fvj h VAL 90 Ca 0.00 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1fvj h VAL 90 Cb 0.37 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1fvj h VAL 90 CO -0.05 0.02 -0.04 1.55 0.02 0.00 0.00 177.57 179.07 1fvj h PRO 91 N -0.82 0.00 0.00 1.57 0.13 -1.80 -0.36 132.00 130.73 1fvj h PRO 91 Ca -0.07 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.93 1fvj h PRO 91 Cb 0.60 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.74 1fvj h PRO 91 CO 0.12 0.04 -0.49 -0.07 -0.23 0.00 0.00 178.00 177.38 1fvj h LEU 92 N 0.00 0.42 -0.33 1.56 3.38 -1.00 0.85 115.31 120.20 1fvj h LEU 92 Ca -0.00 -0.78 -0.01 0.00 0.09 0.00 0.00 57.88 57.19 1fvj h LEU 92 Cb 0.18 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1fvj h LEU 92 CO 0.01 1.14 0.18 -0.26 0.09 0.00 0.00 178.44 179.59 1fvj h PHE 93 N -0.26 0.45 -0.53 1.13 0.04 -0.92 -1.19 116.94 115.66 1fvj h PHE 93 Ca -0.06 -0.01 -0.11 0.00 2.80 0.00 0.00 57.97 60.59 1fvj h PHE 93 Cb 1.22 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 39.21 1fvj h PHE 93 CO 0.16 0.37 -0.09 0.93 -0.60 0.00 0.00 178.31 179.08 1fvj h GLU 94 N 0.40 0.97 -0.78 1.51 5.08 -1.13 0.35 114.58 120.98 1fvj h GLU 94 Ca 0.11 -0.34 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 1fvj h GLU 94 Cb 0.07 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1fvj h GLU 94 CO -0.02 1.01 0.39 0.78 -1.00 0.00 0.00 179.01 180.17 1fvj h GLY 95 N 0.96 1.20 0.30 -3.84 0.00 -0.58 0.89 103.07 102.00 1fvj h GLY 95 Ca 0.14 -0.58 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 1fvj h GLY 95 CO 0.04 0.55 -0.24 -2.08 0.00 0.00 0.00 176.54 174.82 1fvj h VAL 96 N 1.10 1.64 0.00 4.60 2.07 -1.07 -1.30 116.25 123.29 1fvj h VAL 96 Ca 0.27 -2.20 -0.32 0.00 0.82 0.00 0.00 66.70 65.27 1fvj h VAL 96 Cb 0.09 3.10 -0.06 0.00 -1.52 0.00 0.00 31.29 32.90 1fvj h VAL 96 CO -0.04 0.59 -2.26 0.00 0.02 0.00 0.00 177.57 175.88 1fvj n GLN 97 N -4.49 0.93 -0.07 1.57 6.02 0.10 -3.89 117.38 117.55 1fvj n GLN 97 Ca -0.11 -0.02 -0.04 0.00 -0.01 0.00 0.00 57.00 56.83 1fvj n GLN 97 Cb 0.54 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 30.31 1fvj n GLN 97 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1fvj h LYS 98 N 0.00 0.00 0.00 -1.09 3.64 -1.02 -3.41 116.57 114.68 1fvj h LYS 98 Ca -0.48 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 1fvj h LYS 98 Cb 2.09 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.91 1fvj h LYS 98 CO 0.03 0.05 -1.24 0.25 -2.27 0.00 0.00 179.45 176.26 1fvj n THR 99 N -4.66 0.53 -3.82 1.00 -2.24 -0.07 -4.97 114.28 100.05 1fvj n THR 99 Ca -0.06 -0.55 -0.28 0.00 -2.27 0.00 0.00 64.05 60.89 1fvj n THR 99 Cb 0.21 -0.29 0.04 0.00 -2.10 0.00 0.00 70.33 68.19 1fvj n THR 99 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fvj n GLN 100 N -2.60 -6.13 0.00 -0.78 6.02 -0.88 -4.88 117.38 108.12 1fvj n GLN 100 Ca -0.02 0.66 0.10 0.00 -0.01 0.00 0.00 57.00 57.74 1fvj n GLN 100 Cb 0.57 -5.58 -0.05 0.00 1.02 0.00 0.00 30.24 26.21 1fvj n GLN 100 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1fvj n THR 101 N -4.74 0.00 -3.03 5.09 -2.24 -0.54 -4.81 114.28 104.01 1fvj n THR 101 Ca 0.01 -0.02 -0.43 0.00 -2.27 0.00 0.00 64.05 61.34 1fvj n THR 101 Cb 0.54 0.89 -0.05 0.00 -2.10 0.00 0.00 70.33 69.61 1fvj n THR 101 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1fvj s ILE 102 N -2.96 4.68 0.00 2.28 1.01 -1.00 -4.83 121.20 120.37 1fvj s ILE 102 Ca 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.57 1fvj s ILE 102 Cb 0.16 -4.39 0.00 0.00 0.01 0.00 0.00 42.46 38.24 1fvj s ILE 102 CO 0.82 -0.92 0.25 0.54 0.00 0.00 0.00 174.94 175.62 1fvj n ARG 103 N 6.69 1.89 -3.86 2.79 1.74 -1.26 -4.81 116.66 119.83 1fvj n ARG 103 Ca -0.03 -0.25 -0.08 0.00 -0.77 0.00 0.00 57.85 56.72 1fvj n ARG 103 Cb 0.46 -0.71 -0.01 0.00 -1.02 0.00 0.00 32.46 31.18 1fvj n ARG 103 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1fvj s SER 104 N -0.34 -0.14 0.52 0.55 1.04 -1.26 -5.00 113.70 109.06 1fvj s SER 104 Ca 0.00 -0.81 0.16 0.00 0.48 0.00 0.00 55.95 55.78 1fvj s SER 104 Cb 0.00 0.75 1.26 0.00 0.10 0.00 0.00 66.02 68.13 1fvj s SER 104 CO 0.00 -1.43 2.15 0.00 0.98 0.00 0.00 173.24 174.93 1fvj h ALA 105 N 2.02 2.00 -0.49 5.32 0.00 -1.98 -1.80 119.26 124.33 1fvj h ALA 105 Ca -0.24 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1fvj h ALA 105 Cb 1.25 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1fvj h ALA 105 CO 0.29 -0.00 0.13 1.03 0.00 0.00 0.00 179.25 180.70 1fvj h SER 106 N 0.01 0.73 -0.45 0.00 0.87 -1.99 -1.32 113.55 111.41 1fvj h SER 106 Ca 0.01 -0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 60.33 1fvj h SER 106 Cb 0.01 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.75 1fvj h SER 106 CO -0.00 0.76 0.25 0.44 -0.53 0.00 0.00 176.83 177.75 1fvj h ASP 107 N 0.66 0.59 -0.47 6.23 3.32 -1.69 -0.25 116.42 124.82 1fvj h ASP 107 Ca 0.15 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.09 1fvj h ASP 107 Cb 0.31 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1fvj h ASP 107 CO -0.00 0.49 0.01 0.40 -1.72 0.00 0.00 179.24 178.43 1fvj h ILE 108 N 0.67 1.26 -0.72 0.35 2.04 -1.16 -2.80 117.51 117.15 1fvj h ILE 108 Ca 0.17 -1.03 0.01 0.00 1.00 0.00 0.00 64.86 65.01 1fvj h ILE 108 Cb 0.04 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 1fvj h ILE 108 CO -0.03 0.36 0.47 -0.09 0.00 0.00 0.00 178.15 178.87 1fvj h ARG 109 N 0.67 0.94 -0.90 2.37 2.43 -0.16 -2.24 114.38 117.49 1fvj h ARG 109 Ca 0.13 -0.06 0.10 0.00 -0.81 0.00 0.00 59.98 59.35 1fvj h ARG 109 Cb 0.48 -0.21 -0.07 0.00 -0.42 0.00 0.00 29.97 29.75 1fvj h ARG 109 CO 0.02 0.62 0.58 -0.44 -1.51 0.00 0.00 179.97 179.24 1fvj h ASP 110 N 0.97 0.80 -0.66 -3.80 3.32 -0.83 -1.01 116.42 115.20 1fvj h ASP 110 Ca 0.26 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.31 1fvj h ASP 110 Cb -0.11 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.28 1fvj h ASP 110 CO -0.06 0.46 0.31 0.58 -1.72 0.00 0.00 179.24 178.81 1fvj h VAL 111 N 0.88 1.23 -0.37 -1.35 2.07 -1.23 0.86 116.25 118.34 1fvj h VAL 111 Ca 0.42 -0.66 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 1fvj h VAL 111 Cb 0.45 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1fvj h VAL 111 CO -0.19 0.27 -0.06 -0.26 0.02 0.00 0.00 177.57 177.36 1fvj h PHE 112 N 0.92 0.77 -0.64 1.57 -1.00 -1.12 -1.41 116.94 116.02 1fvj h PHE 112 Ca 0.23 -0.15 -0.06 0.00 2.81 0.00 0.00 57.97 60.80 1fvj h PHE 112 Cb 0.14 -0.19 -0.03 0.00 3.61 0.00 0.00 35.95 39.48 1fvj h PHE 112 CO 0.01 0.82 0.18 0.82 -1.61 0.00 0.00 178.31 178.53 1fvj h ILE 113 N 0.49 1.25 -0.10 -0.55 2.04 -1.02 -1.38 117.51 118.24 1fvj h ILE 113 Ca 0.10 -0.88 -0.05 0.00 1.00 0.00 0.00 64.86 65.02 1fvj h ILE 113 Cb 0.55 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1fvj h ILE 113 CO 0.03 0.34 -0.18 -1.13 0.00 0.00 0.00 178.15 177.21 1fvj h ASN 114 N 0.94 0.15 0.42 1.72 -0.73 -0.73 -0.75 115.58 116.59 1fvj h ASN 114 Ca 0.21 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.34 1fvj h ASN 114 Cb 0.32 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 38.87 1fvj h ASN 114 CO -0.00 0.35 0.00 0.00 -0.37 0.00 0.00 177.43 177.40 1fvj n ALA 115 N -2.49 2.30 0.00 1.57 0.00 -0.54 -4.89 120.51 116.46 1fvj n ALA 115 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1fvj n ALA 115 Cb 0.29 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1fvj n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fvj n GLY 116 N 0.84 0.91 3.77 0.00 0.00 -0.29 -5.06 105.19 105.35 1fvj n GLY 116 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 1fvj n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fvj s ILE 117 N -2.00 4.78 0.31 -0.61 1.09 -0.59 -5.00 121.20 119.17 1fvj s ILE 117 Ca 0.00 1.39 -0.29 0.00 -1.10 0.00 0.00 60.65 60.66 1fvj s ILE 117 Cb 0.00 -4.00 -0.10 0.00 -1.06 0.00 0.00 42.46 37.30 1fvj s ILE 117 CO 0.00 0.44 1.19 -0.54 -0.10 0.00 0.00 174.94 175.92 1fvj s LYS 118 N -0.39 4.50 0.23 2.79 -0.14 -1.26 -4.03 119.74 121.44 1fvj s LYS 118 Ca 0.33 1.98 -0.09 0.00 -1.36 0.00 0.00 55.97 56.84 1fvj s LYS 118 Cb -0.20 -3.12 0.36 0.00 -1.68 0.00 0.00 37.83 33.20 1fvj s LYS 118 CO 0.20 0.03 1.66 0.78 -0.76 0.00 0.00 175.35 177.25 1fvj h GLY 119 N 3.59 0.77 2.00 -3.33 0.00 -1.95 0.11 103.07 104.25 1fvj h GLY 119 Ca -0.48 0.07 -0.08 0.00 0.00 0.00 0.00 47.33 46.84 1fvj h GLY 119 CO 0.66 -0.22 -0.40 1.05 0.00 0.00 0.00 176.54 177.63 1fvj h GLU 120 N 0.14 0.00 -0.19 4.80 9.09 -1.99 -0.56 114.58 125.87 1fvj h GLU 120 Ca 0.36 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.69 1fvj h GLU 120 Cb 0.61 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.71 1fvj h GLU 120 CO -0.56 0.40 -0.19 1.49 0.05 0.00 0.00 179.01 180.19 1fvj h GLU 121 N 0.00 0.47 -0.00 1.06 4.81 -1.28 -2.38 114.58 117.25 1fvj h GLU 121 Ca -0.00 -0.25 -0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1fvj h GLU 121 Cb 0.79 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.18 1fvj h GLU 121 CO 0.05 0.82 -0.00 -0.92 -0.73 0.00 0.00 179.01 178.23 1fvj h TYR 122 N 0.14 0.01 -0.71 0.92 3.20 -0.66 -2.73 116.97 117.13 1fvj h TYR 122 Ca 0.03 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.95 1fvj h TYR 122 Cb 0.74 -0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.96 1fvj h TYR 122 CO 0.08 0.34 0.47 -0.44 -1.64 0.00 0.00 178.16 176.97 1fvj h ASP 123 N -0.32 0.70 -0.06 -2.11 3.32 -1.14 0.14 116.42 116.93 1fvj h ASP 123 Ca 0.00 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1fvj h ASP 123 Cb 0.34 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 1fvj h ASP 123 CO 0.00 0.46 -0.05 0.00 -1.72 0.00 0.00 179.24 177.93 1fvj h ALA 124 N 1.60 0.09 -0.43 3.45 0.00 -1.42 -2.89 119.26 119.66 1fvj h ALA 124 Ca 0.30 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1fvj h ALA 124 Cb 0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1fvj h ALA 124 CO -0.09 -0.13 0.24 0.00 0.00 0.00 0.00 179.25 179.27 1fvj h ALA 125 N 0.57 0.55 -0.85 0.00 0.00 -1.15 -0.89 119.26 117.49 1fvj h ALA 125 Ca 0.01 -0.08 0.15 0.00 0.00 0.00 0.00 54.91 55.00 1fvj h ALA 125 Cb 0.54 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1fvj h ALA 125 CO 0.01 0.07 0.55 2.35 0.00 0.00 0.00 179.25 182.24 1fvj h TRP 126 N 0.56 0.67 -0.01 0.00 2.91 -0.73 -0.80 115.95 118.55 1fvj h TRP 126 Ca 0.15 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.19 1fvj h TRP 126 Cb 0.04 -0.21 0.00 0.00 -0.51 0.00 0.00 29.16 28.48 1fvj h TRP 126 CO -0.02 0.24 -0.37 0.09 -1.03 0.00 0.00 178.44 177.34 1fvj n ASN 127 N -4.53 1.77 -4.76 2.65 3.02 -1.02 -4.92 115.26 107.46 1fvj n ASN 127 Ca 0.17 -1.36 -0.35 0.00 -0.03 0.00 0.00 54.58 53.02 1fvj n ASN 127 Cb 0.52 0.34 0.03 0.00 -0.61 0.00 0.00 39.78 40.06 1fvj n ASN 127 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1fvj s SER 128 N -2.44 5.31 0.44 6.41 1.04 -0.31 -4.95 113.70 119.21 1fvj s SER 128 Ca 0.21 2.18 0.24 0.00 0.48 0.00 0.00 55.95 59.07 1fvj s SER 128 Cb 0.19 -2.58 0.59 0.00 0.10 0.00 0.00 66.02 64.32 1fvj s SER 128 CO 0.54 -1.50 1.69 -0.26 0.98 0.00 0.00 173.24 174.69 1fvj h PHE 129 N 0.67 0.00 -0.48 5.02 -1.00 -1.90 -2.33 116.94 116.91 1fvj h PHE 129 Ca -0.49 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.23 1fvj h PHE 129 Cb 1.27 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.81 1fvj h PHE 129 CO 0.51 0.10 0.08 0.28 -1.61 0.00 0.00 178.31 177.67 1fvj h VAL 130 N 0.00 1.25 -0.32 -0.55 2.07 -1.92 -1.35 116.25 115.43 1fvj h VAL 130 Ca -0.00 -0.92 -0.10 0.00 0.82 0.00 0.00 66.70 66.50 1fvj h VAL 130 Cb 0.92 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1fvj h VAL 130 CO 0.01 0.33 -0.21 0.58 0.02 0.00 0.00 177.57 178.30 1fvj h VAL 131 N 0.67 1.26 -0.80 2.57 2.07 -1.72 -2.19 116.25 118.11 1fvj h VAL 131 Ca 0.15 -1.26 -0.04 0.00 0.82 0.00 0.00 66.70 66.37 1fvj h VAL 131 Cb 0.40 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1fvj h VAL 131 CO 0.01 0.41 0.36 0.11 0.02 0.00 0.00 177.57 178.48 1fvj h LYS 132 N 0.54 1.18 0.00 1.57 1.57 -0.99 -1.12 116.57 119.31 1fvj h LYS 132 Ca 0.08 -0.19 -0.12 0.00 -1.87 0.00 0.00 60.65 58.56 1fvj h LYS 132 Cb 0.66 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 1fvj h LYS 132 CO 0.05 0.93 -0.55 0.66 -0.57 0.00 0.00 179.45 179.96 1fvj h SER 133 N 1.15 0.00 0.01 0.86 4.64 -1.04 -1.90 113.55 117.27 1fvj h SER 133 Ca 0.27 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.47 1fvj h SER 133 Cb 0.16 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1fvj h SER 133 CO -0.03 0.55 -0.37 -0.07 -0.87 0.00 0.00 176.83 176.04 1fvj h LEU 134 N 0.00 0.51 -0.18 5.97 4.07 -0.83 -0.35 115.31 124.50 1fvj h LEU 134 Ca -0.01 -0.21 -0.09 0.00 0.08 0.00 0.00 57.88 57.65 1fvj h LEU 134 Cb 1.04 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 42.64 1fvj h LEU 134 CO 0.07 0.84 -0.26 0.58 -1.08 0.00 0.00 178.44 178.59 1fvj h VAL 135 N 0.41 1.34 -0.71 1.22 2.07 -0.99 -2.50 116.25 117.09 1fvj h VAL 135 Ca 0.04 -1.48 -0.02 0.00 0.82 0.00 0.00 66.70 66.06 1fvj h VAL 135 Cb 0.84 1.88 -0.03 0.00 -1.52 0.00 0.00 31.29 32.46 1fvj h VAL 135 CO 0.07 0.45 0.36 0.00 0.02 0.00 0.00 177.57 178.46 1fvj h ALA 136 N 0.60 1.29 -0.48 1.67 0.00 -1.19 -1.30 119.26 119.86 1fvj h ALA 136 Ca 0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1fvj h ALA 136 Cb 0.84 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1fvj h ALA 136 CO 0.06 0.56 0.19 0.37 0.00 0.00 0.00 179.25 180.43 1fvj h GLN 137 N 1.00 0.71 -0.48 0.00 4.15 -1.02 0.57 115.11 120.05 1fvj h GLN 137 Ca 0.25 -0.13 -0.05 0.00 0.77 0.00 0.00 58.65 59.50 1fvj h GLN 137 Cb 0.08 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 1fvj h GLN 137 CO -0.04 0.64 0.12 1.96 -1.93 0.00 0.00 178.83 179.58 1fvj h GLN 138 N 0.63 0.77 -0.65 1.69 4.20 -0.98 -1.92 115.11 118.85 1fvj h GLN 138 Ca 0.16 -0.18 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 1fvj h GLN 138 Cb 0.19 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 1fvj h GLN 138 CO -0.01 0.75 0.18 0.93 -0.67 0.00 0.00 178.83 180.01 1fvj h GLU 139 N 0.65 1.02 -0.56 1.46 5.08 -1.03 -2.79 114.58 118.41 1fvj h GLU 139 Ca 0.15 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1fvj h GLU 139 Cb 0.33 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1fvj h GLU 139 CO 0.00 0.91 0.24 -0.22 -1.00 0.00 0.00 179.01 178.94 1fvj h LYS 140 N 0.95 0.83 -0.67 2.33 3.64 -0.69 -1.57 116.57 121.40 1fvj h LYS 140 Ca 0.21 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1fvj h LYS 140 Cb 0.33 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 1fvj h LYS 140 CO -0.00 0.70 0.24 0.00 -2.27 0.00 0.00 179.45 178.12 1fvj h ALA 141 N 1.09 1.17 -0.34 5.00 0.00 -1.27 -0.04 119.26 124.86 1fvj h ALA 141 Ca 0.19 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1fvj h ALA 141 Cb 0.17 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1fvj h ALA 141 CO -0.02 0.59 -0.20 0.00 0.00 0.00 0.00 179.25 179.62 1fvj h ALA 142 N 1.29 1.02 -0.31 0.00 0.00 -1.21 -3.02 119.26 117.03 1fvj h ALA 142 Ca 0.22 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1fvj h ALA 142 Cb 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1fvj h ALA 142 CO -0.02 0.59 -0.12 0.00 0.00 0.00 0.00 179.25 179.70 1fvj h ALA 143 N 1.21 0.44 -0.84 0.00 0.00 -0.48 -1.77 119.26 117.82 1fvj h ALA 143 Ca 0.09 -0.31 0.14 0.00 0.00 0.00 0.00 54.91 54.83 1fvj h ALA 143 Cb 0.66 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1fvj h ALA 143 CO 0.05 0.31 0.55 -0.44 0.00 0.00 0.00 179.25 179.71 1fvj h ASP 144 N 0.40 0.55 -0.63 0.00 3.32 -0.91 -1.58 116.42 117.57 1fvj h ASP 144 Ca 0.07 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1fvj h ASP 144 Cb 0.63 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1fvj h ASP 144 CO 0.04 0.28 0.00 1.33 -1.72 0.00 0.00 179.24 179.17 1fvj n VAL 145 N -4.53 0.97 -3.93 -1.35 0.24 -1.17 -4.87 118.33 103.69 1fvj n VAL 145 Ca 0.16 -0.99 -0.27 0.00 -2.04 0.00 0.00 64.34 61.21 1fvj n VAL 145 Cb 0.49 0.53 -0.00 0.00 -1.47 0.00 0.00 33.84 33.38 1fvj n VAL 145 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fvj n GLN 146 N 1.39 -3.97 -1.89 7.34 6.02 -0.59 -4.85 117.38 120.82 1fvj n GLN 146 Ca 0.21 0.48 -0.42 0.00 -0.01 0.00 0.00 57.00 57.26 1fvj n GLN 146 Cb 0.58 -4.90 -0.03 0.00 1.02 0.00 0.00 30.24 26.91 1fvj n GLN 146 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1fvj s LEU 147 N -6.99 4.37 0.00 1.08 2.96 -0.70 -4.88 118.68 114.53 1fvj s LEU 147 Ca 0.21 2.59 0.00 0.00 -0.22 0.00 0.00 54.13 56.71 1fvj s LEU 147 Cb -0.11 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.01 1fvj s LEU 147 CO 0.87 -0.89 0.51 -2.11 -1.32 0.00 0.00 176.35 173.41 1fvj n ARG 148 N 4.95 0.35 -3.50 1.98 1.85 -1.26 -4.96 116.66 116.07 1fvj n ARG 148 Ca 0.15 -0.64 -0.11 0.00 -1.00 0.00 0.00 57.85 56.25 1fvj n ARG 148 Cb 0.39 -0.82 -0.03 0.00 -1.05 0.00 0.00 32.46 30.95 1fvj n ARG 148 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1fvj s GLY 149 N -0.25 -0.49 0.09 2.89 0.00 -1.26 -5.17 107.32 103.13 1fvj s GLY 149 Ca 0.00 1.12 0.02 0.00 0.00 0.00 0.00 44.72 45.86 1fvj s GLY 149 CO 0.00 0.52 -0.07 -1.34 0.00 0.00 0.00 173.10 172.21 1fvj s VAL 150 N -2.58 0.69 0.63 1.40 -7.23 -1.26 -4.47 120.40 107.58 1fvj s VAL 150 Ca -0.00 -1.77 -0.15 0.00 -1.81 0.00 0.00 61.98 58.25 1fvj s VAL 150 Cb -0.01 -1.48 -0.02 0.00 0.56 0.00 0.00 36.38 35.43 1fvj s VAL 150 CO -0.05 -0.77 1.07 -2.16 -0.31 0.00 0.00 175.10 172.88 1fvj s PRO 151 N -3.39 3.10 0.00 4.82 0.04 -1.26 -4.87 135.00 133.44 1fvj s PRO 151 Ca 0.08 1.21 -0.11 0.00 0.04 0.00 0.00 61.00 62.22 1fvj s PRO 151 Cb 0.02 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.57 1fvj s PRO 151 CO -0.04 -0.99 0.22 0.00 0.04 0.00 0.00 177.00 176.23 1fvj s ALA 152 N -2.53 -0.52 -0.07 8.56 0.00 -1.00 -4.99 121.76 121.21 1fvj s ALA 152 Ca 0.63 0.03 -0.04 0.00 0.00 0.00 0.00 51.96 52.59 1fvj s ALA 152 Cb -0.17 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.11 1fvj s ALA 152 CO 0.41 -0.25 0.16 1.41 0.00 0.00 0.00 175.76 177.49 1fvj s MET 153 N -1.54 0.12 0.05 0.00 1.75 -1.26 -1.08 119.30 117.35 1fvj s MET 153 Ca -0.13 0.36 0.09 0.00 -1.25 0.00 0.00 55.69 54.76 1fvj s MET 153 Cb -0.06 -0.12 -0.03 0.00 2.84 0.00 0.00 34.83 37.46 1fvj s MET 153 CO 0.02 -0.14 -0.25 -0.06 -0.65 0.00 0.00 175.02 173.94 1fvj s PHE 154 N 0.98 2.22 -0.09 4.11 0.40 0.33 -1.52 117.98 124.39 1fvj s PHE 154 Ca -0.07 -0.40 0.04 0.00 -0.60 0.00 0.00 56.93 55.89 1fvj s PHE 154 Cb -0.09 -1.32 0.00 0.00 0.51 0.00 0.00 43.02 42.12 1fvj s PHE 154 CO -0.05 0.13 -0.22 0.08 0.70 0.00 0.00 175.22 175.86 1fvj s VAL 155 N -0.82 1.92 -1.48 -0.44 1.01 0.54 -0.84 120.40 120.29 1fvj s VAL 155 Ca 0.11 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.15 1fvj s VAL 155 Cb -0.10 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.62 1fvj s VAL 155 CO 0.02 0.53 0.00 0.59 0.00 0.00 0.00 175.10 176.24 1fvj n ASN 156 N 3.56 -3.99 0.00 3.32 3.02 0.12 -1.22 115.26 120.07 1fvj n ASN 156 Ca -0.20 0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 1fvj n ASN 156 Cb 0.53 -3.57 0.00 0.00 -0.61 0.00 0.00 39.78 36.13 1fvj n ASN 156 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fvj n GLY 157 N -0.21 0.34 0.01 7.41 0.00 -1.26 -4.82 105.19 106.67 1fvj n GLY 157 Ca -0.14 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 1fvj n GLY 157 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fvj n LYS 158 N -1.40 1.61 -4.47 1.61 5.02 -0.36 -1.11 118.16 119.06 1fvj n LYS 158 Ca 0.00 0.01 -0.30 0.00 -2.02 0.00 0.00 58.31 56.00 1fvj n LYS 158 Cb 0.17 -1.06 -0.12 0.00 -0.02 0.00 0.00 35.03 34.01 1fvj n LYS 158 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1fvj s TYR 159 N -2.06 2.59 -0.13 2.13 2.02 -0.88 -0.64 117.35 120.38 1fvj s TYR 159 Ca -0.03 -0.24 0.02 0.00 -0.37 0.00 0.00 57.07 56.46 1fvj s TYR 159 Cb 0.01 -1.42 0.01 0.00 -0.40 0.00 0.00 41.96 40.16 1fvj s TYR 159 CO 0.08 0.33 -0.20 -1.14 -1.57 0.00 0.00 175.55 173.04 1fvj s GLN 160 N -1.78 2.82 0.57 -0.62 0.74 -0.69 -0.34 119.66 120.37 1fvj s GLN 160 Ca 0.17 -0.78 -0.21 0.00 0.05 0.00 0.00 55.36 54.59 1fvj s GLN 160 Cb -0.11 -2.30 -0.04 0.00 1.10 0.00 0.00 33.01 31.66 1fvj s GLN 160 CO 0.08 -0.03 1.35 1.28 -0.55 0.00 0.00 175.29 177.42 1fvj n LEU 161 N 4.12 5.69 -3.70 3.68 7.99 -0.58 -1.41 117.00 132.78 1fvj n LEU 161 Ca -0.20 0.95 -0.29 0.00 -0.01 0.00 0.00 56.01 56.46 1fvj n LEU 161 Cb 0.51 -1.58 -0.13 0.00 -0.11 0.00 0.00 43.42 42.12 1fvj n LEU 161 CO 0.26 -0.66 -0.23 0.21 -1.51 0.00 0.00 177.39 175.47 1fvj s ASN 162 N -1.01 3.57 0.57 -1.43 2.47 -0.50 -4.78 114.94 113.83 1fvj s ASN 162 Ca 0.74 -2.83 0.38 0.00 0.42 0.00 0.00 52.86 51.58 1fvj s ASN 162 Cb -0.41 -1.05 2.01 0.00 -1.45 0.00 0.00 41.25 40.35 1fvj s ASN 162 CO 0.47 -0.23 2.17 1.55 -3.72 0.00 0.00 177.10 177.34 1fvj h PRO 163 N 6.45 0.00 -0.18 0.43 0.13 -1.90 -2.92 132.00 134.01 1fvj h PRO 163 Ca 0.04 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.22 1fvj h PRO 163 Cb 0.90 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 1fvj h PRO 163 CO 0.50 0.00 0.14 1.96 -0.23 0.00 0.00 178.00 180.38 1fvj h GLN 164 N 0.00 0.00 -1.87 0.86 7.50 -1.94 -2.82 115.11 116.84 1fvj h GLN 164 Ca 0.00 0.00 -0.45 0.00 0.50 0.00 0.00 58.65 58.70 1fvj h GLN 164 Cb 0.09 0.00 -0.16 0.00 0.05 0.00 0.00 27.48 27.45 1fvj h GLN 164 CO 0.00 0.00 0.37 0.41 -1.50 0.00 0.00 178.83 178.11 1fvj n GLY 165 N -1.53 4.25 3.31 3.46 0.00 -1.10 -4.89 105.19 108.69 1fvj n GLY 165 Ca 0.01 -1.67 -0.14 0.00 0.00 0.00 0.00 46.02 44.22 1fvj n GLY 165 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1fvj s MET 166 N -1.65 0.74 0.16 1.61 -1.94 -1.07 -4.67 119.30 112.48 1fvj s MET 166 Ca 0.52 -0.01 -0.30 0.00 -1.71 0.00 0.00 55.69 54.20 1fvj s MET 166 Cb 0.35 0.34 -0.07 0.00 2.01 0.00 0.00 34.83 37.45 1fvj s MET 166 CO -0.16 -0.20 1.10 0.34 -0.01 0.00 0.00 175.02 176.09 1fvj s ASP 167 N -1.13 7.27 -0.11 3.03 2.15 -1.26 -4.98 116.67 121.64 1fvj s ASP 167 Ca -0.12 2.06 0.14 0.00 0.43 0.00 0.00 52.55 55.06 1fvj s ASP 167 Cb -0.04 -2.60 0.43 0.00 -0.30 0.00 0.00 42.92 40.41 1fvj s ASP 167 CO 0.05 -0.23 1.34 0.35 -0.17 0.00 0.00 175.17 176.51 1fvj n THR 168 N 2.54 1.78 -0.06 1.71 -2.24 -1.26 -4.18 114.28 112.57 1fvj n THR 168 Ca 0.03 -1.55 -0.15 0.00 -2.27 0.00 0.00 64.05 60.11 1fvj n THR 168 Cb 0.46 0.04 -0.06 0.00 -2.10 0.00 0.00 70.33 68.67 1fvj n THR 168 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1fvj h SER 169 N 1.77 0.84 -3.22 3.42 4.64 -2.03 -3.40 113.55 115.56 1fvj h SER 169 Ca 0.00 -0.56 -0.67 0.00 -0.47 0.00 0.00 61.79 60.10 1fvj h SER 169 Cb 1.15 -0.24 -0.32 0.00 -0.31 0.00 0.00 62.40 62.68 1fvj h SER 169 CO 0.13 1.24 -0.80 0.21 -0.87 0.00 0.00 176.83 176.74 1fvj s ASN 170 N -6.81 3.67 0.08 4.97 3.84 -1.26 -5.01 114.94 114.41 1fvj s ASN 170 Ca -0.12 -0.56 -0.20 0.00 0.21 0.00 0.00 52.86 52.19 1fvj s ASN 170 Cb 0.08 -1.59 -0.10 0.00 -0.55 0.00 0.00 41.25 39.09 1fvj s ASN 170 CO 0.86 -0.01 1.59 0.24 -2.79 0.00 0.00 177.10 176.99 1fvj h MET 171 N 8.01 0.27 -0.98 0.43 2.86 -1.90 -2.51 114.93 121.10 1fvj h MET 171 Ca -0.43 -0.06 0.12 0.00 -2.06 0.00 0.00 59.70 57.27 1fvj h MET 171 Cb 1.15 -0.04 -0.09 0.00 0.06 0.00 0.00 31.60 32.68 1fvj h MET 171 CO 0.62 0.39 0.61 -0.44 1.06 0.00 0.00 176.91 179.15 1fvj h ASP 172 N 0.10 0.89 -0.25 1.22 3.32 -1.96 0.08 116.42 119.81 1fvj h ASP 172 Ca 0.06 0.05 -0.17 0.00 0.02 0.00 0.00 57.03 56.99 1fvj h ASP 172 Cb 0.23 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1fvj h ASP 172 CO -0.00 0.47 -0.51 0.58 -1.72 0.00 0.00 179.24 178.06 1fvj h VAL 173 N 0.96 1.29 -0.25 -1.35 2.07 -1.91 -2.21 116.25 114.85 1fvj h VAL 173 Ca 0.49 -1.70 0.02 0.00 0.82 0.00 0.00 66.70 66.33 1fvj h VAL 173 Cb 0.50 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 1fvj h VAL 173 CO -0.27 0.55 0.12 0.15 0.02 0.00 0.00 177.57 178.13 1fvj h PHE 174 N 0.54 0.21 -0.56 1.57 3.57 -0.84 0.28 116.94 121.71 1fvj h PHE 174 Ca 0.01 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.55 1fvj h PHE 174 Cb 1.11 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.76 1fvj h PHE 174 CO 0.08 0.11 0.33 0.28 -2.23 0.00 0.00 178.31 176.88 1fvj h VAL 175 N 0.25 1.04 -0.22 1.41 2.07 -0.99 0.64 116.25 120.46 1fvj h VAL 175 Ca 0.11 -0.22 -0.09 0.00 0.82 0.00 0.00 66.70 67.32 1fvj h VAL 175 Cb 0.04 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1fvj h VAL 175 CO -0.08 0.12 -0.25 -0.61 0.02 0.00 0.00 177.57 176.76 1fvj h GLN 176 N 0.64 0.40 -0.35 1.57 4.15 -1.06 0.12 115.11 120.58 1fvj h GLN 176 Ca 0.23 -0.15 -0.08 0.00 0.77 0.00 0.00 58.65 59.42 1fvj h GLN 176 Cb 0.05 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 1fvj h GLN 176 CO -0.11 0.63 -0.11 0.37 -1.93 0.00 0.00 178.83 177.68 1fvj h GLN 177 N 0.36 0.69 -0.11 1.69 4.15 -0.15 0.06 115.11 121.80 1fvj h GLN 177 Ca 0.05 -0.28 -0.01 0.00 0.77 0.00 0.00 58.65 59.19 1fvj h GLN 177 Cb 0.64 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.29 1fvj h GLN 177 CO 0.05 0.86 0.04 -0.92 -1.93 0.00 0.00 178.83 176.93 1fvj h TYR 178 N 0.48 0.16 -0.55 3.99 5.03 -0.51 -1.80 116.97 123.77 1fvj h TYR 178 Ca 0.09 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.39 1fvj h TYR 178 Cb 0.62 -0.05 -0.03 0.00 1.55 0.00 0.00 36.73 38.83 1fvj h TYR 178 CO 0.05 0.25 0.36 0.00 -1.32 0.00 0.00 178.16 177.51 1fvj h ALA 179 N 0.89 0.70 -0.55 1.82 0.00 -0.65 -2.20 119.26 119.27 1fvj h ALA 179 Ca 0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1fvj h ALA 179 Cb 0.16 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1fvj h ALA 179 CO -0.00 0.13 0.18 -0.44 0.00 0.00 0.00 179.25 179.12 1fvj h ASP 180 N 0.74 0.75 -0.54 0.00 3.32 -0.83 -1.62 116.42 118.24 1fvj h ASP 180 Ca 0.20 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 57.04 1fvj h ASP 180 Cb -0.08 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 1fvj h ASP 180 CO -0.05 0.71 -0.05 0.74 -1.72 0.00 0.00 179.24 178.87 1fvj h THR 181 N 0.80 1.26 -0.41 0.35 2.02 -0.91 -0.73 112.91 115.30 1fvj h THR 181 Ca 0.18 -1.19 -0.05 0.00 0.77 0.00 0.00 66.41 66.12 1fvj h THR 181 Cb 0.23 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1fvj h THR 181 CO -0.01 0.43 0.06 0.58 0.37 0.00 0.00 175.52 176.94 1fvj h VAL 182 N 0.92 1.24 -0.11 3.16 2.07 -1.02 -0.12 116.25 122.39 1fvj h VAL 182 Ca 0.16 -0.89 0.01 0.00 0.82 0.00 0.00 66.70 66.79 1fvj h VAL 182 Cb 0.60 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1fvj h VAL 182 CO 0.04 0.31 0.04 0.50 0.02 0.00 0.00 177.57 178.47 1fvj h LYS 183 N 0.53 0.10 -0.08 1.57 3.64 -1.12 0.18 116.57 121.39 1fvj h LYS 183 Ca 0.12 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.53 1fvj h LYS 183 Cb 0.39 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 1fvj h LYS 183 CO 0.01 0.06 -0.10 -0.92 -2.27 0.00 0.00 179.45 176.23 1fvj h TYR 184 N 0.10 -0.26 -0.02 1.91 3.20 -0.96 -2.35 116.97 118.59 1fvj h TYR 184 Ca 0.05 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 1fvj h TYR 184 Cb 0.02 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 1fvj h TYR 184 CO -0.10 -0.16 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.02 1fvj h LEU 185 N -0.14 0.03 -0.55 2.82 3.38 -0.76 -2.44 115.31 117.64 1fvj h LEU 185 Ca 0.07 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.87 1fvj h LEU 185 Cb 0.24 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1fvj h LEU 185 CO -0.16 0.20 -0.70 0.77 0.09 0.00 0.00 178.44 178.64 1fvj h SER 186 N 0.03 0.19 -0.60 -0.43 4.64 -0.46 -3.00 113.55 113.91 1fvj h SER 186 Ca 0.00 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1fvj h SER 186 Cb 0.32 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1fvj h SER 186 CO 0.02 0.82 0.00 -1.84 -0.87 0.00 0.00 176.83 174.97 1fvj n GLU 187 N -3.78 2.89 0.00 4.77 0.28 -0.93 -5.01 120.64 118.87 1fvj n GLU 187 Ca -0.02 -2.37 0.10 0.00 -0.16 0.00 0.00 57.16 54.71 1fvj n GLU 187 Cb 0.68 -1.64 0.08 0.00 1.43 0.00 0.00 31.44 31.99 1fvj n GLU 187 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14