#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dfq s HIS 2 N 0.00 2.65 0.02 0.54 3.76 -1.26 -5.12 115.29 115.88 3dfq s HIS 2 Ca 0.00 -0.24 -0.22 0.00 -0.15 0.00 0.00 55.06 54.45 3dfq s HIS 2 Cb 0.00 -1.62 -0.06 0.00 1.11 0.00 0.00 32.58 32.01 3dfq s HIS 2 CO 0.00 0.12 0.64 0.45 -0.85 0.00 0.00 174.74 175.10 3dfq s SER 3 N -0.63 7.05 -0.43 1.40 0.15 -1.26 -5.00 113.70 114.98 3dfq s SER 3 Ca 0.09 1.25 0.06 0.00 0.70 0.00 0.00 55.95 58.05 3dfq s SER 3 Cb -0.11 -2.39 0.21 0.00 -1.71 0.00 0.00 66.02 62.02 3dfq s SER 3 CO 0.01 0.10 0.44 1.41 1.20 0.00 0.00 173.24 176.40 3dfq n HIS 4 N 2.60 -0.25 -0.46 3.44 8.25 -1.26 -5.10 115.22 122.44 3dfq n HIS 4 Ca -0.06 -3.51 -0.19 0.00 -0.26 0.00 0.00 57.72 53.70 3dfq n HIS 4 Cb 0.51 -0.08 -0.03 0.00 1.12 0.00 0.00 29.99 31.51 3dfq n HIS 4 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3dfq n PRO 5 N 2.09 0.00 0.10 -0.41 -0.02 -1.26 -4.85 135.00 130.65 3dfq n PRO 5 Ca 0.26 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.71 3dfq n PRO 5 Cb 0.49 -0.43 -0.02 0.00 -0.02 0.00 0.00 33.50 33.52 3dfq n PRO 5 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dfq h ALA 6 N 1.80 0.55 -3.27 3.55 0.00 -1.99 -3.46 119.26 116.44 3dfq h ALA 6 Ca -0.10 -0.68 -0.31 0.00 0.00 0.00 0.00 54.91 53.82 3dfq h ALA 6 Cb 0.40 -0.12 -0.22 0.00 0.00 0.00 0.00 17.79 17.85 3dfq h ALA 6 CO 0.29 0.94 -0.75 -0.51 0.00 0.00 0.00 179.25 179.22 3dfq s LEU 7 N -6.68 2.25 0.54 0.00 1.43 -1.26 -4.96 118.68 110.01 3dfq s LEU 7 Ca 0.02 -0.54 -0.04 0.00 -1.03 0.00 0.00 54.13 52.54 3dfq s LEU 7 Cb 0.09 -0.26 0.00 0.00 0.03 0.00 0.00 46.19 46.05 3dfq s LEU 7 CO 0.78 -0.16 0.83 0.42 0.23 0.00 0.00 176.35 178.45 3dfq s THR 8 N -1.28 3.77 0.45 5.49 -4.23 -1.26 -4.89 115.64 113.69 3dfq s THR 8 Ca -0.07 -0.16 0.14 0.00 -1.18 0.00 0.00 61.69 60.42 3dfq s THR 8 Cb -0.10 -3.46 0.31 0.00 1.34 0.00 0.00 72.50 70.59 3dfq s THR 8 CO 0.01 -0.43 2.03 -0.65 -0.54 0.00 0.00 174.62 175.04 3dfq h PRO 9 N 0.01 0.32 -0.37 3.99 0.11 -2.01 -0.93 132.00 133.13 3dfq h PRO 9 Ca -0.46 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 3dfq h PRO 9 Cb 1.25 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3dfq h PRO 9 CO 0.59 0.21 -0.19 0.93 -0.21 0.00 0.00 178.00 179.34 3dfq h GLU 10 N 0.33 0.79 -0.38 1.05 3.07 -1.99 -1.50 114.58 115.94 3dfq h GLU 10 Ca 0.20 -0.35 -0.10 0.00 -0.50 0.00 0.00 59.36 58.61 3dfq h GLU 10 Cb 0.36 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.24 3dfq h GLU 10 CO -0.04 0.97 -0.19 1.96 -1.40 0.00 0.00 179.01 180.31 3dfq h GLN 11 N 0.58 0.72 -0.27 2.33 4.20 -1.72 -2.19 115.11 118.76 3dfq h GLN 11 Ca 0.08 -0.27 -0.03 0.00 0.06 0.00 0.00 58.65 58.49 3dfq h GLN 11 Cb 0.74 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 3dfq h GLN 11 CO 0.06 0.86 0.04 0.87 -0.67 0.00 0.00 178.83 179.98 3dfq h LYS 12 N 0.64 0.46 -0.79 1.46 1.57 -1.10 -2.36 116.57 116.45 3dfq h LYS 12 Ca 0.10 -0.13 0.04 0.00 -1.87 0.00 0.00 60.65 58.79 3dfq h LYS 12 Cb 0.67 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.87 3dfq h LYS 12 CO 0.05 0.58 0.49 -0.22 -0.57 0.00 0.00 179.45 179.78 3dfq h LYS 13 N 0.26 0.90 -0.21 3.15 3.64 -1.11 0.26 116.57 123.48 3dfq h LYS 13 Ca 0.08 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3dfq h LYS 13 Cb 0.35 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3dfq h LYS 13 CO 0.01 0.60 0.11 1.49 -2.27 0.00 0.00 179.45 179.39 3dfq h GLU 14 N 0.93 0.28 -0.29 1.90 4.81 -1.25 -0.56 114.58 120.40 3dfq h GLU 14 Ca 0.33 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.49 3dfq h GLU 14 Cb 0.09 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3dfq h GLU 14 CO -0.14 0.26 0.06 -0.07 -0.73 0.00 0.00 179.01 178.39 3dfq h LEU 15 N 0.23 0.45 -0.69 1.64 3.38 -1.02 -1.94 115.31 117.36 3dfq h LEU 15 Ca 0.07 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 3dfq h LEU 15 Cb 0.06 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3dfq h LEU 15 CO -0.01 0.59 0.31 -1.28 0.09 0.00 0.00 178.44 178.14 3dfq h SER 16 N 0.30 0.92 -0.67 -0.43 0.87 -0.90 -0.95 113.55 112.70 3dfq h SER 16 Ca 0.09 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.47 3dfq h SER 16 Cb 0.32 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.02 3dfq h SER 16 CO 0.00 0.81 0.30 0.44 -0.53 0.00 0.00 176.83 177.85 3dfq h ASP 17 N 0.96 0.90 -0.08 6.23 3.32 -0.98 -1.18 116.42 125.59 3dfq h ASP 17 Ca 0.23 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 3dfq h ASP 17 Cb 0.15 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 3dfq h ASP 17 CO -0.03 0.80 0.03 0.40 -1.72 0.00 0.00 179.24 178.72 3dfq h ILE 18 N 0.94 1.15 -0.77 0.35 2.04 -1.09 -1.92 117.51 118.21 3dfq h ILE 18 Ca 0.23 -0.45 0.06 0.00 1.00 0.00 0.00 64.86 65.69 3dfq h ILE 18 Cb 0.16 1.30 -0.06 0.00 -0.74 0.00 0.00 36.82 37.49 3dfq h ILE 18 CO -0.02 0.13 0.47 0.00 0.00 0.00 0.00 178.15 178.72 3dfq h ALA 19 N 0.86 1.05 -0.36 1.87 0.00 -1.00 -2.31 119.26 119.36 3dfq h ALA 19 Ca 0.03 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3dfq h ALA 19 Cb 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3dfq h ALA 19 CO -0.00 0.20 -0.21 0.45 0.00 0.00 0.00 179.25 179.69 3dfq h HIS 20 N 0.86 0.79 -0.73 0.00 3.86 -1.09 -3.07 115.15 115.78 3dfq h HIS 20 Ca 0.33 -0.17 -0.03 0.00 -1.16 0.00 0.00 60.37 59.35 3dfq h HIS 20 Cb 0.15 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.39 3dfq h HIS 20 CO -0.05 0.85 0.33 0.00 0.86 0.00 0.00 177.93 179.92 3dfq h ARG 21 N 0.62 1.07 -0.58 2.45 3.08 -0.81 -1.65 114.38 118.55 3dfq h ARG 21 Ca 0.09 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 3dfq h ARG 21 Cb 0.69 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 3dfq h ARG 21 CO 0.05 0.85 0.35 0.82 -1.07 0.00 0.00 179.97 180.97 3dfq h ILE 22 N 1.03 1.17 -0.56 2.04 2.04 -1.37 -3.11 117.51 118.75 3dfq h ILE 22 Ca 0.25 -0.37 -0.17 0.00 1.00 0.00 0.00 64.86 65.57 3dfq h ILE 22 Cb 0.15 0.37 -0.10 0.00 -0.74 0.00 0.00 36.82 36.51 3dfq h ILE 22 CO -0.03 0.17 0.15 1.33 0.00 0.00 0.00 178.15 179.78 3dfq n VAL 23 N -4.64 2.72 -1.42 1.67 0.24 -1.16 -4.09 118.33 111.66 3dfq n VAL 23 Ca 0.04 -1.92 -0.36 0.00 -2.04 0.00 0.00 64.34 60.05 3dfq n VAL 23 Cb 0.05 -0.33 0.07 0.00 -1.47 0.00 0.00 33.84 32.16 3dfq n VAL 23 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dfq n ALA 24 N -0.46 -0.45 -1.58 2.33 0.00 -0.63 -4.72 120.51 115.00 3dfq n ALA 24 Ca 0.35 -0.14 -0.60 0.00 0.00 0.00 0.00 53.44 53.06 3dfq n ALA 24 Cb 1.21 -2.04 -0.08 0.00 0.00 0.00 0.00 19.45 18.54 3dfq n ALA 24 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3dfq n PRO 25 N -1.30 0.24 -0.96 0.00 -0.02 -1.26 -0.74 135.00 130.97 3dfq n PRO 25 Ca 0.13 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3dfq n PRO 25 Cb 0.49 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 3dfq n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dfq n GLY 26 N 2.40 1.05 3.69 -1.23 0.00 -1.26 -5.03 105.19 104.81 3dfq n GLY 26 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 3dfq n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dfq s LYS 27 N -0.02 2.54 0.05 1.61 1.02 0.08 -4.36 119.74 120.66 3dfq s LYS 27 Ca 0.00 -0.84 0.01 0.00 0.02 0.00 0.00 55.97 55.16 3dfq s LYS 27 Cb 0.00 -2.54 -0.00 0.00 -0.52 0.00 0.00 37.83 34.77 3dfq s LYS 27 CO 0.00 0.54 0.05 0.41 -0.92 0.00 0.00 175.35 175.43 3dfq n GLY 28 N 0.56 3.68 3.43 -3.33 0.00 -0.19 -4.61 105.19 104.73 3dfq n GLY 28 Ca -0.11 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 43.95 3dfq n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dfq s ILE 29 N -2.26 2.87 -0.33 -0.61 1.01 0.22 -0.34 121.20 121.75 3dfq s ILE 29 Ca 0.06 -0.79 -0.14 0.00 0.00 0.00 0.00 60.65 59.77 3dfq s ILE 29 Cb 0.00 -2.11 -0.02 0.00 0.01 0.00 0.00 42.46 40.34 3dfq s ILE 29 CO 0.04 0.58 0.32 -0.22 0.00 0.00 0.00 174.94 175.66 3dfq s LEU 30 N -0.59 4.41 -0.70 2.97 2.96 -0.40 -2.07 118.68 125.25 3dfq s LEU 30 Ca 0.09 -0.23 -0.19 0.00 -0.22 0.00 0.00 54.13 53.58 3dfq s LEU 30 Cb -0.11 -2.28 0.12 0.00 0.50 0.00 0.00 46.19 44.41 3dfq s LEU 30 CO 0.01 -0.28 0.85 0.00 -1.32 0.00 0.00 176.35 175.60 3dfq s ALA 31 N 1.93 3.43 -0.26 5.97 0.00 0.35 -0.81 121.76 132.38 3dfq s ALA 31 Ca 0.10 -2.42 0.09 0.00 0.00 0.00 0.00 51.96 49.74 3dfq s ALA 31 Cb -0.17 -3.69 0.46 0.00 0.00 0.00 0.00 23.12 19.72 3dfq s ALA 31 CO 0.11 -2.55 1.32 0.00 0.00 0.00 0.00 175.76 174.64 3dfq n ALA 32 N 6.32 4.17 -0.64 0.00 0.00 -0.64 -4.12 120.51 125.61 3dfq n ALA 32 Ca 0.01 -3.33 -0.17 0.00 0.00 0.00 0.00 53.44 49.95 3dfq n ALA 32 Cb 0.45 -0.52 0.13 0.00 0.00 0.00 0.00 19.45 19.52 3dfq n ALA 32 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3dfq n SER 33 N -1.06 3.56 -4.76 0.00 3.41 -0.98 -4.25 113.62 109.55 3dfq n SER 33 Ca 0.29 -3.18 -0.41 0.00 -0.26 0.00 0.00 58.87 55.31 3dfq n SER 33 Cb 0.85 -0.75 -0.03 0.00 -0.26 0.00 0.00 64.21 64.03 3dfq n SER 33 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3dfq s GLU 34 N -2.42 4.39 0.91 4.33 8.01 -1.26 -4.43 118.70 128.22 3dfq s GLU 34 Ca 0.42 2.12 -0.15 0.00 0.01 0.00 0.00 54.97 57.38 3dfq s GLU 34 Cb 0.35 -3.13 0.16 0.00 -4.31 0.00 0.00 34.13 27.20 3dfq s GLU 34 CO 0.08 -0.18 1.27 -1.54 0.01 0.00 0.00 175.26 174.91 3dfq s SER 35 N -0.20 3.59 0.19 -0.19 1.04 -1.26 -4.75 113.70 112.12 3dfq s SER 35 Ca 0.52 0.44 -0.12 0.00 0.48 0.00 0.00 55.95 57.27 3dfq s SER 35 Cb -0.38 -0.64 0.11 0.00 0.10 0.00 0.00 66.02 65.21 3dfq s SER 35 CO 0.46 -2.45 1.85 0.74 0.98 0.00 0.00 173.24 174.82 3dfq h THR 36 N -1.44 1.14 0.00 2.02 2.02 -1.97 0.42 112.91 115.10 3dfq h THR 36 Ca -0.45 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.45 3dfq h THR 36 Cb 1.27 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 3dfq h THR 36 CO 0.48 0.15 0.00 1.23 0.37 0.00 0.00 175.52 177.75 3dfq h GLY 37 N 0.82 0.00 0.74 2.16 0.00 -2.00 -1.48 103.07 103.30 3dfq h GLY 37 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.28 3dfq h GLY 37 CO -0.06 0.00 -1.81 -1.26 0.00 0.00 0.00 176.54 173.42 3dfq n SER 38 N -2.94 0.65 -0.19 0.19 2.88 -0.77 -4.07 113.62 109.38 3dfq n SER 38 Ca 0.01 0.30 0.12 0.00 -1.33 0.00 0.00 58.87 57.98 3dfq n SER 38 Cb 0.33 0.28 0.19 0.00 -0.75 0.00 0.00 64.21 64.25 3dfq n SER 38 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3dfq n ILE 39 N -2.92 0.00 -0.14 2.46 3.06 0.07 -4.29 119.36 117.60 3dfq n ILE 39 Ca -0.19 -0.10 -0.04 0.00 -2.50 0.00 0.00 62.75 59.92 3dfq n ILE 39 Cb 1.02 0.63 0.04 0.00 0.54 0.00 0.00 39.64 41.87 3dfq n ILE 39 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3dfq h ALA 40 N 3.44 0.51 -0.33 1.51 0.00 -1.41 -1.87 119.26 121.10 3dfq h ALA 40 Ca 0.00 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3dfq h ALA 40 Cb 0.55 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3dfq h ALA 40 CO 0.00 -0.27 -0.05 0.87 0.00 0.00 0.00 179.25 179.80 3dfq h LYS 41 N 0.28 0.53 -0.05 0.00 1.57 -1.82 -1.91 116.57 115.17 3dfq h LYS 41 Ca 0.21 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3dfq h LYS 41 Cb 0.23 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 3dfq h LYS 41 CO -0.24 0.60 0.01 0.00 -0.57 0.00 0.00 179.45 179.25 3dfq h ARG 42 N 0.50 0.07 -0.39 3.15 -0.00 -1.61 -2.23 114.38 113.88 3dfq h ARG 42 Ca 0.10 -0.02 -0.07 0.00 -0.50 0.00 0.00 59.98 59.49 3dfq h ARG 42 Cb 0.40 -0.01 -0.02 0.00 0.00 0.00 0.00 29.97 30.34 3dfq h ARG 42 CO 0.02 0.25 -0.07 -0.07 0.00 0.00 0.00 179.97 180.11 3dfq h LEU 43 N -0.12 0.64 -1.26 3.04 3.38 -1.28 -2.55 115.31 117.16 3dfq h LEU 43 Ca 0.02 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 3dfq h LEU 43 Cb 0.21 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3dfq h LEU 43 CO -0.00 0.75 -0.21 0.06 0.09 0.00 0.00 178.44 179.13 3dfq h GLN 44 N 0.61 0.00 0.00 1.13 3.07 -1.27 0.13 115.11 118.78 3dfq h GLN 44 Ca 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.85 3dfq h GLN 44 Cb 0.49 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.04 3dfq h GLN 44 CO 0.03 0.21 -0.03 0.66 0.09 0.00 0.00 178.83 179.79 3dfq h SER 45 N 0.00 0.00 -0.20 0.06 4.64 -0.96 -2.57 113.55 114.52 3dfq h SER 45 Ca -0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 3dfq h SER 45 Cb 0.68 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.72 3dfq h SER 45 CO 0.03 0.03 -0.12 2.30 -0.87 0.00 0.00 176.83 178.19 3dfq n ILE 46 N -3.14 2.30 -4.03 0.95 -5.35 -0.84 -4.98 119.36 104.27 3dfq n ILE 46 Ca 0.00 -2.55 -0.29 0.00 -0.27 0.00 0.00 62.75 59.64 3dfq n ILE 46 Cb 0.31 -0.28 -0.02 0.00 -1.74 0.00 0.00 39.64 37.92 3dfq n ILE 46 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dfq n GLY 47 N -1.05 -0.31 3.19 3.28 0.00 -0.97 -4.59 105.19 104.76 3dfq n GLY 47 Ca 0.25 0.15 -0.31 0.00 0.00 0.00 0.00 46.02 46.10 3dfq n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dfq s THR 48 N -3.72 1.98 0.28 2.61 2.01 -0.02 -5.00 115.64 113.78 3dfq s THR 48 Ca 0.26 -0.97 -0.30 0.00 0.31 0.00 0.00 61.69 61.00 3dfq s THR 48 Cb -0.14 -1.73 -0.10 0.00 0.01 0.00 0.00 72.50 70.54 3dfq s THR 48 CO 0.90 0.54 1.47 -0.70 -0.69 0.00 0.00 174.62 176.13 3dfq s GLU 49 N 0.46 4.23 -1.44 4.92 2.12 -1.26 -4.01 118.70 123.72 3dfq s GLU 49 Ca -0.16 2.38 -0.13 0.00 0.36 0.00 0.00 54.97 57.42 3dfq s GLU 49 Cb -0.17 -3.07 0.05 0.00 0.26 0.00 0.00 34.13 31.20 3dfq s GLU 49 CO 0.06 -0.45 2.21 -1.71 -0.54 0.00 0.00 175.26 174.83 3dfq n ASN 50 N 1.96 4.23 -4.94 -1.70 4.05 -1.26 -4.77 115.26 112.84 3dfq n ASN 50 Ca 0.06 -2.87 -0.20 0.00 0.45 0.00 0.00 54.58 52.03 3dfq n ASN 50 Cb 0.40 -1.63 -0.02 0.00 1.23 0.00 0.00 39.78 39.76 3dfq n ASN 50 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 3dfq s THR 51 N 2.78 3.58 0.22 -0.44 -4.23 -1.26 -5.00 115.64 111.29 3dfq s THR 51 Ca 0.47 -1.16 -0.07 0.00 -1.18 0.00 0.00 61.69 59.75 3dfq s THR 51 Cb 0.14 -3.23 0.16 0.00 1.34 0.00 0.00 72.50 70.91 3dfq s THR 51 CO -0.08 -0.12 1.79 -0.08 -0.54 0.00 0.00 174.62 175.59 3dfq h GLU 52 N 0.98 1.18 -0.51 3.99 4.81 -1.99 -1.92 114.58 121.13 3dfq h GLU 52 Ca -0.44 -0.21 -0.08 0.00 -0.13 0.00 0.00 59.36 58.50 3dfq h GLU 52 Cb 1.26 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 3dfq h GLU 52 CO 0.54 0.95 -0.00 1.49 -0.73 0.00 0.00 179.01 181.26 3dfq h GLU 53 N 1.16 0.90 -0.36 1.92 4.57 -1.96 -0.10 114.58 120.71 3dfq h GLU 53 Ca 0.27 -0.29 -0.10 0.00 -1.18 0.00 0.00 59.36 58.06 3dfq h GLU 53 Cb 0.20 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 3dfq h GLU 53 CO -0.02 0.93 -0.18 -0.91 -1.18 0.00 0.00 179.01 177.65 3dfq h ASN 54 N 0.77 0.67 -0.39 1.04 2.35 -1.82 0.10 115.58 118.31 3dfq h ASN 54 Ca 0.14 -0.22 -0.12 0.00 -0.55 0.00 0.00 56.30 55.55 3dfq h ASN 54 Cb 0.52 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 3dfq h ASN 54 CO 0.03 0.86 -0.24 0.03 -1.65 0.00 0.00 177.43 176.46 3dfq h ARG 55 N 0.60 0.85 -0.57 0.81 3.08 -1.20 -1.24 114.38 116.71 3dfq h ARG 55 Ca 0.09 -0.39 -0.03 0.00 0.07 0.00 0.00 59.98 59.72 3dfq h ARG 55 Cb 0.64 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 3dfq h ARG 55 CO 0.05 1.04 0.25 -0.09 -1.07 0.00 0.00 179.97 180.14 3dfq h ARG 56 N 0.66 0.84 -0.44 0.04 2.43 -0.68 -1.05 114.38 116.19 3dfq h ARG 56 Ca 0.08 -0.14 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 3dfq h ARG 56 Cb 0.81 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 3dfq h ARG 56 CO 0.07 0.71 0.15 0.35 -1.51 0.00 0.00 179.97 179.73 3dfq h PHE 57 N 0.78 0.70 -0.48 2.20 3.57 -0.67 0.11 116.94 123.14 3dfq h PHE 57 Ca 0.19 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 3dfq h PHE 57 Cb 0.17 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 3dfq h PHE 57 CO 0.00 0.63 0.18 -0.92 -2.23 0.00 0.00 178.31 175.97 3dfq h TYR 58 N 0.57 0.75 -0.69 0.41 3.20 -1.05 0.10 116.97 120.26 3dfq h TYR 58 Ca 0.14 -0.06 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 3dfq h TYR 58 Cb 0.25 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 3dfq h TYR 58 CO 0.01 0.64 0.18 0.00 -1.64 0.00 0.00 178.16 177.35 3dfq h ARG 59 N 0.64 1.09 -0.94 1.82 -0.00 -1.05 -2.32 114.38 113.63 3dfq h ARG 59 Ca 0.16 -0.25 -0.00 0.00 -0.50 0.00 0.00 59.98 59.38 3dfq h ARG 59 Cb 0.22 -0.15 -0.05 0.00 0.00 0.00 0.00 29.97 30.00 3dfq h ARG 59 CO -0.01 0.96 0.57 0.37 0.00 0.00 0.00 179.97 181.86 3dfq h GLN 60 N 1.02 1.27 -0.64 0.04 4.15 -0.63 0.45 115.11 120.77 3dfq h GLN 60 Ca 0.22 -0.11 0.06 0.00 0.77 0.00 0.00 58.65 59.58 3dfq h GLN 60 Cb 0.34 -0.27 -0.05 0.00 0.21 0.00 0.00 27.48 27.71 3dfq h GLN 60 CO -0.00 0.89 0.35 1.25 -1.93 0.00 0.00 178.83 179.39 3dfq h LEU 61 N 1.29 0.52 -0.02 -2.39 6.46 -0.44 0.61 115.31 121.34 3dfq h LEU 61 Ca 0.34 0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 58.07 3dfq h LEU 61 Cb -0.06 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 39.80 3dfq h LEU 61 CO -0.06 0.34 -0.21 -0.07 -0.62 0.00 0.00 178.44 177.81 3dfq h LEU 62 N 0.65 0.22 -1.70 2.25 3.38 -1.07 -3.27 115.31 115.78 3dfq h LEU 62 Ca 0.29 -0.71 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 3dfq h LEU 62 Cb 0.18 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3dfq h LEU 62 CO -0.18 0.90 -0.14 -0.07 0.09 0.00 0.00 178.44 179.04 3dfq h LEU 63 N -0.44 0.00 -3.44 1.67 3.38 -0.73 -3.05 115.31 112.71 3dfq h LEU 63 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3dfq h LEU 63 Cb 0.92 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 3dfq h LEU 63 CO 0.04 0.14 0.03 0.35 0.09 0.00 0.00 178.44 179.09 3dfq n THR 64 N -3.50 2.57 -0.84 0.22 -2.24 0.19 -4.77 114.28 105.90 3dfq n THR 64 Ca -0.01 -1.72 -0.31 0.00 -2.27 0.00 0.00 64.05 59.74 3dfq n THR 64 Cb 0.29 -0.28 0.15 0.00 -2.10 0.00 0.00 70.33 68.39 3dfq n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dfq s ALA 65 N -2.85 1.63 1.14 6.98 0.00 -1.15 -4.95 121.76 122.55 3dfq s ALA 65 Ca 0.49 0.61 -0.12 0.00 0.00 0.00 0.00 51.96 52.93 3dfq s ALA 65 Cb 0.39 -3.44 0.27 0.00 0.00 0.00 0.00 23.12 20.34 3dfq s ALA 65 CO 0.12 -2.56 1.04 0.16 0.00 0.00 0.00 175.76 174.52 3dfq s ASP 66 N -2.65 1.17 0.00 0.00 1.47 -1.26 -4.85 116.67 110.55 3dfq s ASP 66 Ca 0.67 1.59 0.00 0.00 1.18 0.00 0.00 52.55 55.99 3dfq s ASP 66 Cb -0.23 -2.33 0.00 0.00 -0.34 0.00 0.00 42.92 40.02 3dfq s ASP 66 CO 0.56 -4.09 0.79 0.47 0.68 0.00 0.00 175.17 173.58 3dfq n ASP 67 N -4.85 0.00 0.26 2.11 8.00 -1.26 -2.22 116.55 118.59 3dfq n ASP 67 Ca 0.04 0.31 0.12 0.00 0.71 0.00 0.00 54.79 55.97 3dfq n ASP 67 Cb 0.54 -0.31 0.70 0.00 -0.02 0.00 0.00 41.12 42.03 3dfq n ASP 67 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3dfq h ARG 68 N 0.00 0.00 0.00 -1.24 3.08 -2.01 -2.44 114.38 111.77 3dfq h ARG 68 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3dfq h ARG 68 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3dfq h ARG 68 CO 0.00 0.12 -0.35 -0.39 -1.07 0.00 0.00 179.97 178.28 3dfq h VAL 69 N 0.00 0.00 -0.47 2.04 -1.51 -1.78 -3.39 116.25 111.14 3dfq h VAL 69 Ca -0.00 -0.68 0.10 0.00 -1.23 0.00 0.00 66.70 64.88 3dfq h VAL 69 Cb 0.30 1.48 -0.09 0.00 -2.13 0.00 0.00 31.29 30.84 3dfq h VAL 69 CO 0.02 0.00 -0.16 0.78 -1.23 0.00 0.00 177.57 176.97 3dfq h ASN 70 N 0.00 -0.58 0.34 4.19 4.21 -1.64 0.41 115.58 122.51 3dfq h ASN 70 Ca 0.00 0.16 0.00 0.00 1.21 0.00 0.00 56.30 57.67 3dfq h ASN 70 Cb 0.84 0.34 0.00 0.00 -1.12 0.00 0.00 38.32 38.39 3dfq h ASN 70 CO 0.00 -0.20 0.00 -0.81 -1.29 0.00 0.00 177.43 175.13 3dfq n PRO 71 N -5.38 0.45 -0.05 0.81 -0.04 -1.26 -3.12 135.00 126.41 3dfq n PRO 71 Ca 0.04 0.04 -0.04 0.00 -0.04 0.00 0.00 63.50 63.50 3dfq n PRO 71 Cb 0.28 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.09 3dfq n PRO 71 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dfq s ILE 73 N -2.77 3.76 -0.25 0.00 -1.09 -0.46 -1.02 121.20 119.39 3dfq s ILE 73 Ca -0.08 -1.28 0.21 0.00 -2.23 0.00 0.00 60.65 57.27 3dfq s ILE 73 Cb 0.08 -3.20 0.04 0.00 -1.58 0.00 0.00 42.46 37.79 3dfq s ILE 73 CO 0.84 -0.28 1.12 1.23 -1.23 0.00 0.00 174.94 176.62 3dfq h GLY 74 N 8.22 0.00 -3.41 6.18 0.00 -0.83 -3.38 103.07 109.84 3dfq h GLY 74 Ca -0.22 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 3dfq h GLY 74 CO 0.63 0.00 0.16 -0.32 0.00 0.00 0.00 176.54 177.01 3dfq s GLY 75 N -4.41 -0.55 -0.07 4.60 0.00 -1.13 -1.05 107.32 104.70 3dfq s GLY 75 Ca 0.01 0.72 0.00 0.00 0.00 0.00 0.00 44.72 45.44 3dfq s GLY 75 CO 0.77 0.39 -0.04 0.14 0.00 0.00 0.00 173.10 174.36 3dfq s VAL 76 N -2.77 0.58 -0.13 1.40 1.01 -0.27 -1.27 120.40 118.94 3dfq s VAL 76 Ca -0.04 -0.07 -0.17 0.00 0.00 0.00 0.00 61.98 61.70 3dfq s VAL 76 Cb -0.01 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 3dfq s VAL 76 CO -0.04 0.27 0.43 -0.63 0.00 0.00 0.00 175.10 175.12 3dfq s ILE 77 N 1.41 5.22 0.24 2.22 1.01 0.01 -0.12 121.20 131.18 3dfq s ILE 77 Ca -0.03 0.84 0.11 0.00 0.00 0.00 0.00 60.65 61.56 3dfq s ILE 77 Cb -0.13 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.53 3dfq s ILE 77 CO -0.03 0.34 -0.16 -0.76 0.00 0.00 0.00 174.94 174.33 3dfq s LEU 78 N 0.63 2.72 0.34 2.97 1.43 0.09 -1.62 118.68 125.25 3dfq s LEU 78 Ca 0.23 -0.84 -0.08 0.00 -1.03 0.00 0.00 54.13 52.41 3dfq s LEU 78 Cb -0.14 -1.32 -0.06 0.00 0.03 0.00 0.00 46.19 44.69 3dfq s LEU 78 CO 0.08 0.07 0.65 0.12 0.23 0.00 0.00 176.35 177.50 3dfq s PHE 79 N -2.12 3.47 0.22 0.29 5.36 -1.26 -1.93 117.98 122.01 3dfq s PHE 79 Ca 0.27 0.84 -0.18 0.00 -0.96 0.00 0.00 56.93 56.90 3dfq s PHE 79 Cb -0.07 -2.27 0.21 0.00 -0.34 0.00 0.00 43.02 40.56 3dfq s PHE 79 CO 0.15 0.05 1.57 1.25 -1.46 0.00 0.00 175.22 176.77 3dfq h HIS 80 N 1.54 -1.00 -0.51 10.12 6.17 -1.92 -1.23 115.15 128.31 3dfq h HIS 80 Ca -0.47 0.09 0.10 0.00 0.71 0.00 0.00 60.37 60.80 3dfq h HIS 80 Cb 1.19 0.56 -0.09 0.00 2.52 0.00 0.00 27.41 31.59 3dfq h HIS 80 CO 0.59 -0.40 -0.06 1.49 0.71 0.00 0.00 177.93 180.27 3dfq h GLU 81 N -0.06 0.06 -0.23 5.26 4.81 -1.98 -2.07 114.58 120.37 3dfq h GLU 81 Ca 0.31 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.47 3dfq h GLU 81 Cb 0.59 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 3dfq h GLU 81 CO -0.88 0.04 -0.16 1.15 -0.73 0.00 0.00 179.01 178.43 3dfq h THR 82 N 0.06 1.22 0.00 0.32 2.02 -1.63 -2.43 112.91 112.48 3dfq h THR 82 Ca 0.25 -1.01 -0.00 0.00 0.77 0.00 0.00 66.41 66.43 3dfq h THR 82 Cb 0.39 1.23 -0.00 0.00 -1.74 0.00 0.00 68.15 68.03 3dfq h THR 82 CO -0.48 0.32 -0.00 0.25 0.37 0.00 0.00 175.52 175.98 3dfq h LEU 83 N 0.36 0.00 -3.07 2.58 5.85 -0.82 -1.91 115.31 118.30 3dfq h LEU 83 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3dfq h LEU 83 Cb 0.50 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.53 3dfq h LEU 83 CO 0.03 0.00 0.00 -1.22 -0.34 0.00 0.00 178.44 176.91 3dfq n TYR 84 N -3.30 0.67 -3.35 1.25 4.01 -0.92 -4.61 117.16 110.90 3dfq n TYR 84 Ca -0.03 -0.69 -0.19 0.00 -0.16 0.00 0.00 57.90 56.84 3dfq n TYR 84 Cb 0.08 -0.17 -0.00 0.00 -0.31 0.00 0.00 39.34 38.94 3dfq n TYR 84 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3dfq s GLN 85 N -1.91 3.00 0.12 -0.72 -0.21 -0.72 -5.00 119.66 114.22 3dfq s GLN 85 Ca 0.32 -1.11 0.06 0.00 0.02 0.00 0.00 55.36 54.65 3dfq s GLN 85 Cb 0.23 -2.77 -0.04 0.00 1.00 0.00 0.00 33.01 31.42 3dfq s GLN 85 CO 0.12 -0.04 -0.16 0.15 -2.12 0.00 0.00 175.29 173.24 3dfq s LYS 86 N -4.22 1.03 0.89 2.91 1.02 -1.26 -1.69 119.74 118.43 3dfq s LYS 86 Ca 0.48 -1.20 -0.12 0.00 0.02 0.00 0.00 55.97 55.14 3dfq s LYS 86 Cb -0.09 -1.01 0.13 0.00 -0.52 0.00 0.00 37.83 36.33 3dfq s LYS 86 CO 0.31 0.21 1.15 0.00 -0.92 0.00 0.00 175.35 176.10 3dfq s ALA 87 N -1.84 1.96 0.58 5.17 0.00 0.33 -4.87 121.76 123.09 3dfq s ALA 87 Ca 0.08 -0.58 0.27 0.00 0.00 0.00 0.00 51.96 51.73 3dfq s ALA 87 Cb -0.07 -3.01 1.60 0.00 0.00 0.00 0.00 23.12 21.65 3dfq s ALA 87 CO 0.04 -2.17 2.09 -0.44 0.00 0.00 0.00 175.76 175.27 3dfq h ASP 88 N -1.42 0.00 -0.13 0.00 3.32 -1.98 0.51 116.42 116.72 3dfq h ASP 88 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 3dfq h ASP 88 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 3dfq h ASP 88 CO 0.62 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.24 3dfq n ASP 89 N -3.92 0.94 0.00 6.45 5.68 -1.26 -4.89 116.55 119.54 3dfq n ASP 89 Ca 0.02 -1.73 0.00 0.00 -0.50 0.00 0.00 54.79 52.58 3dfq n ASP 89 Cb 0.34 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 3dfq n ASP 89 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dfq n GLY 90 N 0.91 1.66 3.71 6.12 0.00 0.17 -5.03 105.19 112.73 3dfq n GLY 90 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3dfq n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dfq s ARG 91 N -0.36 4.39 0.52 1.61 0.52 -1.26 -4.69 118.95 119.68 3dfq s ARG 91 Ca 0.00 1.80 -0.22 0.00 -0.52 0.00 0.00 55.73 56.79 3dfq s ARG 91 Cb 0.00 -3.40 -0.06 0.00 0.52 0.00 0.00 34.95 32.02 3dfq s ARG 91 CO 0.00 -0.34 1.32 -1.25 0.02 0.00 0.00 175.30 175.06 3dfq s PRO 92 N 1.39 3.34 0.42 3.54 0.04 -1.26 -0.51 135.00 141.96 3dfq s PRO 92 Ca 0.59 2.15 0.14 0.00 0.04 0.00 0.00 61.00 63.92 3dfq s PRO 92 Cb -0.29 -2.34 1.00 0.00 0.04 0.00 0.00 34.50 32.90 3dfq s PRO 92 CO 0.28 -1.00 1.95 0.74 0.04 0.00 0.00 177.00 179.00 3dfq h PHE 93 N 1.70 0.51 -0.38 0.56 0.04 -1.59 -0.70 116.94 117.08 3dfq h PHE 93 Ca -0.51 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.24 3dfq h PHE 93 Cb 1.28 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 39.25 3dfq h PHE 93 CO 0.48 0.22 0.08 -1.35 -0.60 0.00 0.00 178.31 177.14 3dfq h PRO 94 N 0.46 0.56 -0.38 1.51 0.11 -1.85 -1.14 132.00 131.27 3dfq h PRO 94 Ca 0.33 -0.10 -0.15 0.00 0.11 0.00 0.00 66.00 66.19 3dfq h PRO 94 Cb 0.65 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 3dfq h PRO 94 CO -0.10 0.53 -0.35 0.37 -0.21 0.00 0.00 178.00 178.24 3dfq h GLN 95 N 0.55 0.87 -0.42 1.05 4.15 -1.50 -1.41 115.11 118.39 3dfq h GLN 95 Ca 0.13 -0.43 -0.00 0.00 0.77 0.00 0.00 58.65 59.11 3dfq h GLN 95 Cb 0.23 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 3dfq h GLN 95 CO -0.00 1.08 0.26 0.28 -1.93 0.00 0.00 178.83 178.52 3dfq h VAL 96 N 0.72 1.13 0.02 2.39 2.07 -0.78 -0.30 116.25 121.50 3dfq h VAL 96 Ca 0.07 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 3dfq h VAL 96 Cb 0.92 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 3dfq h VAL 96 CO 0.08 0.13 -0.01 0.40 0.02 0.00 0.00 177.57 178.20 3dfq h ILE 97 N 0.56 1.15 -0.91 4.57 2.04 -1.12 -3.05 117.51 120.76 3dfq h ILE 97 Ca 0.15 -0.52 0.01 0.00 1.00 0.00 0.00 64.86 65.50 3dfq h ILE 97 Cb -0.02 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 3dfq h ILE 97 CO -0.03 0.13 0.59 0.11 0.00 0.00 0.00 178.15 178.96 3dfq h LYS 98 N -0.25 1.20 0.00 2.37 1.57 -1.14 -1.56 116.57 118.75 3dfq h LYS 98 Ca -0.00 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3dfq h LYS 98 Cb 0.24 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3dfq h LYS 98 CO 0.00 0.80 0.00 0.77 -0.57 0.00 0.00 179.45 180.45 3dfq h SER 99 N 1.23 0.00 -0.69 0.86 0.02 -0.98 -0.78 113.55 113.22 3dfq h SER 99 Ca 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 3dfq h SER 99 Cb -0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.41 3dfq h SER 99 CO -0.07 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.91 3dfq n LYS 100 N -2.87 3.24 -0.68 3.45 5.02 -0.66 -4.93 118.16 120.72 3dfq n LYS 100 Ca -0.01 -2.78 0.00 0.00 -2.02 0.00 0.00 58.31 53.50 3dfq n LYS 100 Cb 0.14 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.43 3dfq n LYS 100 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dfq n GLY 101 N 1.38 0.70 3.94 0.72 0.00 -0.30 -4.62 105.19 107.01 3dfq n GLY 101 Ca 0.25 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.01 3dfq n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dfq s GLY 102 N -1.92 1.66 0.01 -0.02 0.00 -0.78 -4.82 107.32 101.45 3dfq s GLY 102 Ca 0.00 -0.97 -0.10 0.00 0.00 0.00 0.00 44.72 43.65 3dfq s GLY 102 CO 0.00 -0.95 0.33 0.14 0.00 0.00 0.00 173.10 172.62 3dfq s VAL 103 N -1.85 5.19 -0.08 1.40 1.01 -0.22 -3.51 120.40 122.33 3dfq s VAL 103 Ca 0.36 0.46 -0.18 0.00 0.00 0.00 0.00 61.98 62.63 3dfq s VAL 103 Cb -0.11 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 3dfq s VAL 103 CO 0.29 0.44 0.47 -0.69 0.00 0.00 0.00 175.10 175.61 3dfq s VAL 104 N -1.23 5.13 0.25 2.92 1.01 -1.26 -1.11 120.40 126.11 3dfq s VAL 104 Ca 0.26 0.95 0.11 0.00 0.00 0.00 0.00 61.98 63.30 3dfq s VAL 104 Cb -0.14 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 3dfq s VAL 104 CO 0.14 0.39 -0.13 -0.83 0.00 0.00 0.00 175.10 174.66 3dfq s GLY 105 N 0.21 1.78 -0.02 4.51 0.00 0.83 -0.68 107.32 113.95 3dfq s GLY 105 Ca 0.26 -1.74 0.00 0.00 0.00 0.00 0.00 44.72 43.24 3dfq s GLY 105 CO 0.11 -1.80 0.02 -1.50 0.00 0.00 0.00 173.10 169.93 3dfq s ILE 106 N -2.26 -0.01 0.04 0.90 1.10 -0.33 -0.73 121.20 119.90 3dfq s ILE 106 Ca 0.29 0.15 -0.30 0.00 -0.51 0.00 0.00 60.65 60.27 3dfq s ILE 106 Cb -0.06 -0.09 -0.05 0.00 0.15 0.00 0.00 42.46 42.41 3dfq s ILE 106 CO 0.16 0.08 1.18 -0.75 -2.11 0.00 0.00 174.94 173.50 3dfq s LYS 107 N 0.82 4.43 0.00 3.50 2.20 -0.81 -1.19 119.74 128.69 3dfq s LYS 107 Ca -0.07 1.72 0.00 0.00 -0.36 0.00 0.00 55.97 57.26 3dfq s LYS 107 Cb -0.10 -3.39 0.00 0.00 -1.51 0.00 0.00 37.83 32.82 3dfq s LYS 107 CO -0.02 -0.27 0.02 1.33 -0.36 0.00 0.00 175.35 176.04 3dfq n VAL 108 N 4.04 0.00 -1.49 4.02 0.24 -0.29 -4.66 118.33 120.20 3dfq n VAL 108 Ca 0.09 -0.48 -0.30 0.00 -2.04 0.00 0.00 64.34 61.60 3dfq n VAL 108 Cb 0.47 1.00 0.09 0.00 -1.47 0.00 0.00 33.84 33.93 3dfq n VAL 108 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 3dfq s ASP 109 N -0.94 4.49 -0.31 -1.34 -4.77 -1.23 -4.85 116.67 107.72 3dfq s ASP 109 Ca 0.00 1.42 0.07 0.00 -3.30 0.00 0.00 52.55 50.74 3dfq s ASP 109 Cb 0.00 -2.16 0.46 0.00 -1.09 0.00 0.00 42.92 40.12 3dfq s ASP 109 CO 0.00 -1.99 1.30 0.29 0.70 0.00 0.00 175.17 175.47 3dfq n LYS 110 N -3.46 2.94 0.00 2.11 5.02 0.10 -4.94 118.16 119.94 3dfq n LYS 110 Ca 0.07 -3.82 0.00 0.00 -2.02 0.00 0.00 58.31 52.54 3dfq n LYS 110 Cb 0.55 -2.10 0.00 0.00 -0.02 0.00 0.00 35.03 33.46 3dfq n LYS 110 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dfq n GLY 111 N -0.85 -1.61 3.90 0.72 0.00 -1.26 -4.68 105.19 101.41 3dfq n GLY 111 Ca 0.40 -1.54 -0.28 0.00 0.00 0.00 0.00 46.02 44.59 3dfq n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dfq s VAL 112 N -1.84 4.91 0.03 1.61 -7.23 -1.26 -1.60 120.40 115.02 3dfq s VAL 112 Ca 0.00 0.24 0.01 0.00 -1.81 0.00 0.00 61.98 60.43 3dfq s VAL 112 Cb 0.00 -3.81 -0.02 0.00 0.56 0.00 0.00 36.38 33.10 3dfq s VAL 112 CO 0.00 -0.68 -0.06 0.68 -0.31 0.00 0.00 175.10 174.74 3dfq s VAL 113 N -2.53 0.37 0.24 1.32 -7.23 -0.32 -4.89 120.40 107.37 3dfq s VAL 113 Ca 0.47 -0.95 -0.30 0.00 -1.81 0.00 0.00 61.98 59.40 3dfq s VAL 113 Cb -0.10 -0.46 -0.09 0.00 0.56 0.00 0.00 36.38 36.29 3dfq s VAL 113 CO 0.39 -0.39 1.24 -2.16 -0.31 0.00 0.00 175.10 173.87 3dfq s PRO 114 N -1.43 4.46 -0.37 4.82 0.04 -1.26 -1.40 135.00 139.86 3dfq s PRO 114 Ca -0.11 2.00 -0.20 0.00 0.04 0.00 0.00 61.00 62.72 3dfq s PRO 114 Cb -0.09 -3.17 0.01 0.00 0.04 0.00 0.00 34.50 31.28 3dfq s PRO 114 CO -0.00 -0.10 0.64 -0.51 0.04 0.00 0.00 177.00 177.06 3dfq s LEU 115 N -0.81 4.29 0.49 -3.56 1.43 0.05 -4.85 118.68 115.73 3dfq s LEU 115 Ca 0.51 0.07 -0.24 0.00 -1.03 0.00 0.00 54.13 53.45 3dfq s LEU 115 Cb -0.35 -2.78 -0.07 0.00 0.03 0.00 0.00 46.19 43.02 3dfq s LEU 115 CO 0.42 -0.62 1.35 0.00 0.23 0.00 0.00 176.35 177.73 3dfq s ALA 116 N 2.73 3.03 0.00 4.21 0.00 -1.26 -2.74 121.76 127.73 3dfq s ALA 116 Ca 0.24 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.52 3dfq s ALA 116 Cb -0.14 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.43 3dfq s ALA 116 CO 0.15 -1.16 0.00 0.41 0.00 0.00 0.00 175.76 175.16 3dfq n GLY 117 N 0.64 0.63 3.64 0.00 0.00 -1.26 -5.04 105.19 103.80 3dfq n GLY 117 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 3dfq n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dfq s THR 118 N -2.30 2.24 -1.27 2.61 -4.23 -1.11 -5.05 115.64 106.54 3dfq s THR 118 Ca 0.00 -1.94 -0.11 0.00 -1.18 0.00 0.00 61.69 58.46 3dfq s THR 118 Cb 0.00 -2.91 0.16 0.00 1.34 0.00 0.00 72.50 71.09 3dfq s THR 118 CO 0.00 -0.07 1.77 -3.20 -0.54 0.00 0.00 174.62 172.58 3dfq n ASN 119 N -1.01 5.10 -0.73 3.99 4.05 -1.26 -4.49 115.26 120.90 3dfq n ASN 119 Ca -0.04 -3.07 -0.09 0.00 0.45 0.00 0.00 54.58 51.83 3dfq n ASN 119 Cb 0.65 -1.51 -0.03 0.00 1.23 0.00 0.00 39.78 40.12 3dfq n ASN 119 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3dfq n GLY 120 N 3.18 0.90 3.90 8.20 0.00 -1.26 -5.02 105.19 115.08 3dfq n GLY 120 Ca 0.39 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 3dfq n GLY 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dfq s GLU 121 N -3.02 3.44 0.22 1.61 2.02 -1.26 -4.95 118.70 116.75 3dfq s GLU 121 Ca 0.00 0.28 0.01 0.00 0.02 0.00 0.00 54.97 55.28 3dfq s GLU 121 Cb 0.00 -2.29 -0.05 0.00 0.10 0.00 0.00 34.13 31.89 3dfq s GLU 121 CO 0.00 -0.37 0.07 0.95 0.02 0.00 0.00 175.26 175.93 3dfq s THR 122 N -2.88 0.53 0.34 3.63 -4.23 -1.26 -0.77 115.64 111.00 3dfq s THR 122 Ca 0.50 -1.99 0.03 0.00 -1.18 0.00 0.00 61.69 59.05 3dfq s THR 122 Cb -0.10 -2.45 -0.01 0.00 1.34 0.00 0.00 72.50 71.27 3dfq s THR 122 CO 0.47 -0.16 0.12 1.07 -0.54 0.00 0.00 174.62 175.58 3dfq n THR 123 N -0.37 0.00 -4.85 3.99 5.66 -0.49 -4.80 114.28 113.43 3dfq n THR 123 Ca -0.02 -1.98 -0.27 0.00 -3.05 0.00 0.00 64.05 58.73 3dfq n THR 123 Cb 0.65 0.71 -0.15 0.00 -1.55 0.00 0.00 70.33 70.00 3dfq n THR 123 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 3dfq s THR 124 N -2.83 1.79 0.41 1.09 2.01 -1.26 -1.17 115.64 115.68 3dfq s THR 124 Ca 0.17 -1.15 0.08 0.00 0.31 0.00 0.00 61.69 61.10 3dfq s THR 124 Cb 0.01 -1.53 -0.03 0.00 0.01 0.00 0.00 72.50 70.96 3dfq s THR 124 CO 0.12 0.33 0.29 0.00 -0.69 0.00 0.00 174.62 174.68 3dfq s GLN 125 N -0.97 2.42 0.00 4.92 -2.07 -0.63 -4.90 119.66 118.43 3dfq s GLN 125 Ca 0.09 -1.64 0.00 0.00 -1.82 0.00 0.00 55.36 51.99 3dfq s GLN 125 Cb -0.09 -2.23 0.00 0.00 -1.09 0.00 0.00 33.01 29.60 3dfq s GLN 125 CO 0.01 -0.14 0.00 0.41 -1.32 0.00 0.00 175.29 174.25 3dfq n GLY 126 N -1.41 -0.32 0.16 2.60 0.00 -1.26 0.00 105.19 104.96 3dfq n GLY 126 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 3dfq n GLY 126 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dfq h LEU 127 N 0.00 0.00 -9.36 0.99 3.38 -1.90 -3.41 115.31 105.01 3dfq h LEU 127 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 3dfq h LEU 127 Cb 0.00 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.77 3dfq h LEU 127 CO 0.00 0.45 1.22 -1.81 0.09 0.00 0.00 178.44 178.39 3dfq s ASP 128 N -6.42 6.46 -1.23 -0.43 -0.00 -1.26 -1.52 116.67 112.26 3dfq s ASP 128 Ca 0.03 2.66 0.00 0.00 -0.00 0.00 0.00 52.55 55.24 3dfq s ASP 128 Cb 0.08 -2.53 0.00 0.00 -0.00 0.00 0.00 42.92 40.47 3dfq s ASP 128 CO 0.72 -1.05 0.00 0.61 -0.00 0.00 0.00 175.17 175.45 3dfq n GLY 129 N 4.52 1.22 0.30 0.21 0.00 -1.26 -4.89 105.19 105.30 3dfq n GLY 129 Ca 0.20 -0.25 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 3dfq n GLY 129 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3dfq h LEU 130 N 0.00 0.74 -0.29 0.99 5.85 -1.51 -2.32 115.31 118.78 3dfq h LEU 130 Ca -0.24 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.36 3dfq h LEU 130 Cb 0.91 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 3dfq h LEU 130 CO 0.35 0.72 0.18 -1.28 -0.34 0.00 0.00 178.44 178.07 3dfq h SER 131 N 0.78 0.34 -0.71 1.25 0.87 -1.90 0.12 113.55 114.31 3dfq h SER 131 Ca 0.18 -0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.65 3dfq h SER 131 Cb 0.25 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 3dfq h SER 131 CO -0.01 0.28 0.25 -0.33 -0.53 0.00 0.00 176.83 176.49 3dfq h GLU 132 N 0.38 1.08 -0.49 2.24 3.07 -1.93 -1.06 114.58 117.86 3dfq h GLU 132 Ca 0.11 -0.22 -0.02 0.00 -0.50 0.00 0.00 59.36 58.73 3dfq h GLU 132 Cb -0.01 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 27.71 3dfq h GLU 132 CO -0.02 0.91 0.23 0.00 -1.40 0.00 0.00 179.01 178.73 3dfq h ARG 133 N 1.02 0.71 -0.65 2.33 3.08 -1.04 -1.93 114.38 117.90 3dfq h ARG 133 Ca 0.23 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 3dfq h ARG 133 Cb 0.26 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 3dfq h ARG 133 CO -0.01 0.60 0.36 0.00 -1.07 0.00 0.00 179.97 179.84 3dfq h ALA 135 N 1.17 1.41 -0.12 0.00 0.00 -0.95 -0.31 119.26 120.46 3dfq h ALA 135 Ca 0.23 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 3dfq h ALA 135 Cb 0.04 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.50 3dfq h ALA 135 CO -0.04 0.52 -0.49 0.37 0.00 0.00 0.00 179.25 179.62 3dfq h GLN 136 N 1.15 0.54 -0.64 0.00 5.75 -0.74 -2.71 115.11 118.46 3dfq h GLN 136 Ca 0.34 -0.42 -0.01 0.00 -0.15 0.00 0.00 58.65 58.41 3dfq h GLN 136 Cb -0.05 0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.55 3dfq h GLN 136 CO -0.09 1.05 0.37 1.88 -2.65 0.00 0.00 178.83 179.39 3dfq h TYR 137 N 0.16 0.84 -0.21 3.99 0.05 -0.49 -0.96 116.97 120.35 3dfq h TYR 137 Ca -0.03 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 3dfq h TYR 137 Cb 1.12 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 38.58 3dfq h TYR 137 CO 0.11 0.57 0.10 -0.22 -1.05 0.00 0.00 178.16 177.67 3dfq h LYS 138 N 0.88 0.31 -0.03 4.88 1.63 -1.04 -0.26 116.57 122.94 3dfq h LYS 138 Ca 0.23 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.95 3dfq h LYS 138 Cb -0.01 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.56 3dfq h LYS 138 CO -0.04 0.34 -0.12 0.87 -3.45 0.00 0.00 179.45 177.05 3dfq h LYS 139 N 0.21 0.05 -0.48 1.90 1.57 -1.08 -2.26 116.57 116.48 3dfq h LYS 139 Ca 0.07 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3dfq h LYS 139 Cb 0.13 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3dfq h LYS 139 CO -0.01 0.17 0.00 -0.25 -0.57 0.00 0.00 179.45 178.79 3dfq n ASP 140 N -4.37 2.23 0.00 0.86 8.00 -0.42 -4.92 116.55 117.93 3dfq n ASP 140 Ca -0.02 -2.12 0.00 0.00 0.71 0.00 0.00 54.79 53.36 3dfq n ASP 140 Cb 0.20 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 3dfq n ASP 140 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dfq n GLY 141 N 0.84 0.62 3.78 0.44 0.00 -0.85 -4.93 105.19 105.09 3dfq n GLY 141 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 3dfq n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dfq s ALA 142 N -2.00 3.46 -0.06 4.61 0.00 -0.16 -4.45 121.76 123.16 3dfq s ALA 142 Ca 0.00 0.29 0.02 0.00 0.00 0.00 0.00 51.96 52.27 3dfq s ALA 142 Cb 0.00 -2.91 -0.02 0.00 0.00 0.00 0.00 23.12 20.19 3dfq s ALA 142 CO 0.00 0.27 0.06 -0.25 0.00 0.00 0.00 175.76 175.84 3dfq n ASP 143 N 1.83 1.13 -3.97 0.00 10.43 0.14 -4.04 116.55 122.07 3dfq n ASP 143 Ca -0.06 -0.41 -0.09 0.00 2.57 0.00 0.00 54.79 56.80 3dfq n ASP 143 Cb 0.49 1.02 -0.08 0.00 1.84 0.00 0.00 41.12 44.39 3dfq n ASP 143 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 3dfq s PHE 144 N -1.37 0.39 0.26 1.24 -0.71 -1.13 -1.07 117.98 115.59 3dfq s PHE 144 Ca 0.00 -0.81 0.05 0.00 -1.04 0.00 0.00 56.93 55.13 3dfq s PHE 144 Cb 0.01 -0.18 -0.06 0.00 -1.21 0.00 0.00 43.02 41.59 3dfq s PHE 144 CO 0.07 -0.56 -0.03 0.00 -1.34 0.00 0.00 175.22 173.35 3dfq s ALA 145 N -3.93 2.13 -0.04 1.99 0.00 -0.02 -1.19 121.76 120.70 3dfq s ALA 145 Ca 0.12 -1.86 0.04 0.00 0.00 0.00 0.00 51.96 50.26 3dfq s ALA 145 Cb 0.05 0.33 -0.00 0.00 0.00 0.00 0.00 23.12 23.50 3dfq s ALA 145 CO -0.06 -0.15 -0.16 0.21 0.00 0.00 0.00 175.76 175.60 3dfq s LYS 146 N -3.79 1.65 -0.15 0.00 2.36 -0.33 -2.11 119.74 117.37 3dfq s LYS 146 Ca 0.29 -0.56 -0.05 0.00 -2.55 0.00 0.00 55.97 53.10 3dfq s LYS 146 Cb 0.05 -1.45 0.08 0.00 -1.05 0.00 0.00 37.83 35.46 3dfq s LYS 146 CO 0.11 0.22 0.31 -0.46 1.55 0.00 0.00 175.35 177.07 3dfq s TRP 147 N 0.08 -0.53 -0.22 4.03 -0.11 -1.26 -1.13 118.94 119.80 3dfq s TRP 147 Ca -0.04 1.08 -0.07 0.00 1.22 0.00 0.00 56.10 58.30 3dfq s TRP 147 Cb -0.11 0.04 -0.03 0.00 -1.50 0.00 0.00 33.47 31.87 3dfq s TRP 147 CO 0.02 -0.41 0.04 0.50 -4.62 0.00 0.00 176.95 172.48 3dfq s ARG 148 N 2.47 3.70 0.00 5.86 3.52 -1.26 -3.46 118.95 129.78 3dfq s ARG 148 Ca 0.01 -0.47 0.01 0.00 -0.13 0.00 0.00 55.73 55.16 3dfq s ARG 148 Cb -0.12 -3.22 -0.04 0.00 -1.56 0.00 0.00 34.95 30.01 3dfq s ARG 148 CO -0.10 -0.03 0.01 0.00 -0.81 0.00 0.00 175.30 174.37 3dfq s VAL 150 N -1.11 1.59 0.11 0.00 1.01 -1.26 -1.17 120.40 119.57 3dfq s VAL 150 Ca 0.20 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 61.53 3dfq s VAL 150 Cb -0.12 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 3dfq s VAL 150 CO 0.11 0.46 -0.20 -0.76 0.00 0.00 0.00 175.10 174.71 3dfq s LEU 151 N 0.61 2.33 -0.01 3.92 1.43 0.43 -4.50 118.68 122.90 3dfq s LEU 151 Ca -0.14 -0.72 0.05 0.00 -1.03 0.00 0.00 54.13 52.28 3dfq s LEU 151 Cb -0.16 -0.84 -0.01 0.00 0.03 0.00 0.00 46.19 45.20 3dfq s LEU 151 CO 0.04 0.02 -0.15 -0.75 0.23 0.00 0.00 176.35 175.75 3dfq s LYS 152 N -2.10 1.16 -0.25 1.70 2.20 -1.26 -0.85 119.74 120.33 3dfq s LYS 152 Ca 0.08 -0.55 -0.19 0.00 -0.36 0.00 0.00 55.97 54.95 3dfq s LYS 152 Cb -0.09 -1.12 -0.02 0.00 -1.51 0.00 0.00 37.83 35.08 3dfq s LYS 152 CO 0.05 0.31 0.59 0.42 -0.36 0.00 0.00 175.35 176.35 3dfq s ILE 153 N -0.39 5.02 0.00 5.43 1.01 -1.26 -2.01 121.20 129.00 3dfq s ILE 153 Ca 0.05 1.05 0.00 0.00 0.00 0.00 0.00 60.65 61.75 3dfq s ILE 153 Cb -0.06 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.52 3dfq s ILE 153 CO -0.00 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.61 3dfq n GLY 154 N 4.19 3.15 0.35 6.18 0.00 -0.24 -4.80 105.19 114.03 3dfq n GLY 154 Ca -0.02 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.65 3dfq n GLY 154 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3dfq h GLU 155 N 0.00 1.13 0.00 1.61 4.81 -2.01 -3.16 114.58 116.95 3dfq h GLU 155 Ca 0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3dfq h GLU 155 Cb 0.00 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.13 3dfq h GLU 155 CO 0.00 0.75 -0.09 0.72 -0.73 0.00 0.00 179.01 179.65 3dfq n HIS 156 N -4.51 0.00 -4.20 0.92 8.25 -1.26 -5.06 115.22 109.37 3dfq n HIS 156 Ca 0.13 -0.64 -0.15 0.00 -0.26 0.00 0.00 57.72 56.80 3dfq n HIS 156 Cb 0.13 -0.10 -0.11 0.00 1.12 0.00 0.00 29.99 31.03 3dfq n HIS 156 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3dfq s THR 157 N -1.76 1.05 0.22 1.59 -4.23 -1.20 -3.81 115.64 107.50 3dfq s THR 157 Ca 0.17 -1.67 -0.30 0.00 -1.18 0.00 0.00 61.69 58.71 3dfq s THR 157 Cb 0.15 -1.42 -0.09 0.00 1.34 0.00 0.00 72.50 72.49 3dfq s THR 157 CO 0.02 -0.52 1.18 -2.16 -0.54 0.00 0.00 174.62 172.59 3dfq s PRO 158 N -2.78 4.52 0.79 3.99 0.04 -0.85 -1.07 135.00 139.63 3dfq s PRO 158 Ca 0.07 1.88 -0.12 0.00 0.04 0.00 0.00 61.00 62.87 3dfq s PRO 158 Cb -0.03 -3.22 0.06 0.00 0.04 0.00 0.00 34.50 31.35 3dfq s PRO 158 CO 0.01 -0.02 1.15 -1.54 0.04 0.00 0.00 177.00 176.63 3dfq s SER 159 N -0.15 4.71 0.22 6.66 1.04 -1.25 -4.86 113.70 120.08 3dfq s SER 159 Ca 0.51 0.93 -0.08 0.00 0.48 0.00 0.00 55.95 57.78 3dfq s SER 159 Cb -0.33 -1.53 0.24 0.00 0.10 0.00 0.00 66.02 64.50 3dfq s SER 159 CO 0.39 -1.79 1.86 0.00 0.98 0.00 0.00 173.24 174.68 3dfq h ALA 160 N -0.97 1.04 -0.14 5.32 0.00 -2.00 -1.69 119.26 120.82 3dfq h ALA 160 Ca -0.46 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3dfq h ALA 160 Cb 1.30 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3dfq h ALA 160 CO 0.65 0.29 0.06 1.25 0.00 0.00 0.00 179.25 181.49 3dfq h LEU 161 N 0.95 0.19 -0.68 0.00 5.85 -1.99 -1.39 115.31 118.23 3dfq h LEU 161 Ca 0.32 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.92 3dfq h LEU 161 Cb 0.04 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 3dfq h LEU 161 CO -0.12 0.29 0.42 0.00 -0.34 0.00 0.00 178.44 178.69 3dfq h ALA 162 N 0.91 0.90 0.11 1.25 0.00 -1.85 0.87 119.26 121.44 3dfq h ALA 162 Ca 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3dfq h ALA 162 Cb 0.16 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3dfq h ALA 162 CO -0.00 0.18 -0.05 0.82 0.00 0.00 0.00 179.25 180.20 3dfq h ILE 163 N 0.82 1.02 -0.31 0.00 2.04 -1.22 -1.65 117.51 118.21 3dfq h ILE 163 Ca 0.28 -0.50 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 3dfq h ILE 163 Cb 0.04 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 3dfq h ILE 163 CO -0.11 0.12 0.19 -0.03 0.00 0.00 0.00 178.15 178.31 3dfq h MET 164 N -0.38 0.43 -0.35 2.37 4.05 -1.03 -1.65 114.93 118.36 3dfq h MET 164 Ca -0.02 -0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 59.32 3dfq h MET 164 Cb 0.31 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.01 3dfq h MET 164 CO 0.03 0.33 0.03 1.49 0.23 0.00 0.00 176.91 179.02 3dfq h GLU 165 N 0.40 0.59 -0.41 0.39 4.57 -0.86 -0.99 114.58 118.28 3dfq h GLU 165 Ca 0.11 -0.17 -0.10 0.00 -1.18 0.00 0.00 59.36 58.02 3dfq h GLU 165 Cb 0.02 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 3dfq h GLU 165 CO -0.02 0.69 -0.16 -0.91 -1.18 0.00 0.00 179.01 177.43 3dfq h ASN 166 N 0.42 0.77 -0.64 1.04 2.35 -1.27 -1.19 115.58 117.06 3dfq h ASN 166 Ca 0.10 -0.25 -0.07 0.00 -0.55 0.00 0.00 56.30 55.54 3dfq h ASN 166 Cb 0.40 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 3dfq h ASN 166 CO 0.01 0.93 0.14 0.00 -1.65 0.00 0.00 177.43 176.86 3dfq h ALA 167 N 1.13 0.84 -0.42 -0.83 0.00 -1.20 -1.85 119.26 116.94 3dfq h ALA 167 Ca 0.11 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 3dfq h ALA 167 Cb 0.65 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3dfq h ALA 167 CO 0.05 0.57 -0.03 -0.97 0.00 0.00 0.00 179.25 178.87 3dfq h ASN 168 N 0.95 0.76 0.12 0.00 -1.24 -0.88 -2.31 115.58 112.98 3dfq h ASN 168 Ca 0.20 -0.33 -0.11 0.00 0.71 0.00 0.00 56.30 56.77 3dfq h ASN 168 Cb 0.39 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.22 3dfq h ASN 168 CO 0.01 0.90 -0.37 1.62 -1.29 0.00 0.00 177.43 178.30 3dfq h VAL 169 N 0.60 1.30 -0.46 2.57 3.04 -1.12 -1.63 116.25 120.54 3dfq h VAL 169 Ca 0.12 -1.46 -0.06 0.00 -1.01 0.00 0.00 66.70 64.28 3dfq h VAL 169 Cb 0.53 1.58 -0.02 0.00 -2.01 0.00 0.00 31.29 31.37 3dfq h VAL 169 CO 0.03 0.45 0.02 -0.07 -1.01 0.00 0.00 177.57 176.99 3dfq h LEU 170 N 0.29 0.69 -0.42 3.16 3.38 -1.21 -1.21 115.31 120.00 3dfq h LEU 170 Ca 0.03 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 3dfq h LEU 170 Cb 0.79 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3dfq h LEU 170 CO 0.06 0.75 -0.21 0.00 0.09 0.00 0.00 178.44 179.13 3dfq h ALA 171 N 1.34 0.59 -0.16 1.53 0.00 -0.92 -0.31 119.26 121.33 3dfq h ALA 171 Ca 0.14 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 3dfq h ALA 171 Cb 0.39 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3dfq h ALA 171 CO 0.01 0.57 0.09 0.00 0.00 0.00 0.00 179.25 179.92 3dfq h ARG 172 N 0.71 0.23 -0.33 0.00 2.47 -1.00 -0.35 114.38 116.11 3dfq h ARG 172 Ca 0.09 -0.03 0.03 0.00 -1.26 0.00 0.00 59.98 58.82 3dfq h ARG 172 Cb 0.78 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 29.02 3dfq h ARG 172 CO 0.06 0.25 0.12 -0.92 0.56 0.00 0.00 179.97 180.05 3dfq h TYR 173 N 0.15 0.22 -0.66 3.04 3.20 -1.14 -1.53 116.97 120.26 3dfq h TYR 173 Ca 0.06 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.95 3dfq h TYR 173 Cb 0.09 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 3dfq h TYR 173 CO -0.03 0.10 0.42 0.00 -1.64 0.00 0.00 178.16 177.01 3dfq h ALA 174 N 1.20 0.83 -0.35 1.82 0.00 -0.82 -1.29 119.26 120.65 3dfq h ALA 174 Ca 0.15 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3dfq h ALA 174 Cb 0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3dfq h ALA 174 CO -0.14 0.27 0.22 1.03 0.00 0.00 0.00 179.25 180.63 3dfq h SER 175 N 0.89 0.41 -0.50 0.00 0.87 -0.66 -1.71 113.55 112.86 3dfq h SER 175 Ca 0.24 -0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.73 3dfq h SER 175 Cb -0.08 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.75 3dfq h SER 175 CO -0.05 0.33 0.19 0.40 -0.53 0.00 0.00 176.83 177.17 3dfq h ILE 176 N 0.46 1.21 -0.14 2.23 2.04 -1.04 -2.72 117.51 119.56 3dfq h ILE 176 Ca 0.13 -0.67 0.02 0.00 1.00 0.00 0.00 64.86 65.34 3dfq h ILE 176 Cb -0.01 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 3dfq h ILE 176 CO -0.02 0.25 -0.01 0.00 0.00 0.00 0.00 178.15 178.37 3dfq h GLN 178 N 0.03 0.00 0.00 0.00 4.20 -1.22 -0.21 115.11 117.92 3dfq h GLN 178 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3dfq h GLN 178 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3dfq h GLN 178 CO -0.12 0.09 0.00 1.96 -0.67 0.00 0.00 178.83 180.09 3dfq h GLN 179 N 0.00 0.00 -0.18 1.46 1.08 -1.14 -3.02 115.11 113.31 3dfq h GLN 179 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3dfq h GLN 179 Cb 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 3dfq h GLN 179 CO 0.01 0.00 0.00 0.09 -0.95 0.00 0.00 178.83 177.98 3dfq n ASN 180 N -2.47 3.27 -0.99 1.46 3.02 -0.16 -4.97 115.26 114.42 3dfq n ASN 180 Ca 0.02 -2.92 -0.11 0.00 -0.03 0.00 0.00 54.58 51.54 3dfq n ASN 180 Cb 0.27 -0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 38.94 3dfq n ASN 180 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dfq n GLY 181 N -0.71 0.78 3.43 7.41 0.00 -1.14 -4.78 105.19 110.18 3dfq n GLY 181 Ca 0.18 -0.49 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 3dfq n GLY 181 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dfq s ILE 182 N -2.46 3.48 -0.24 -0.61 -1.09 -0.75 -4.85 121.20 114.67 3dfq s ILE 182 Ca 0.00 -0.50 -0.29 0.00 -2.23 0.00 0.00 60.65 57.63 3dfq s ILE 182 Cb 0.00 -2.50 0.01 0.00 -1.58 0.00 0.00 42.46 38.39 3dfq s ILE 182 CO 0.00 0.50 1.06 -0.69 -1.23 0.00 0.00 174.94 174.59 3dfq s VAL 183 N 0.45 4.62 -0.01 2.92 1.01 -0.23 -3.21 120.40 125.95 3dfq s VAL 183 Ca -0.06 1.94 -0.23 0.00 0.00 0.00 0.00 61.98 63.63 3dfq s VAL 183 Cb -0.15 -4.31 -0.05 0.00 0.00 0.00 0.00 36.38 31.88 3dfq s VAL 183 CO 0.04 -0.23 0.68 -2.16 0.00 0.00 0.00 175.10 173.42 3dfq s PRO 184 N 3.31 4.41 -0.35 2.72 0.04 -1.26 -0.84 135.00 143.04 3dfq s PRO 184 Ca 0.45 0.88 -0.15 0.00 0.04 0.00 0.00 61.00 62.21 3dfq s PRO 184 Cb -0.15 -3.38 -0.01 0.00 0.04 0.00 0.00 34.50 31.00 3dfq s PRO 184 CO 0.08 0.25 0.37 0.42 0.04 0.00 0.00 177.00 178.16 3dfq s ILE 185 N 0.16 5.16 -0.33 0.56 1.01 -0.90 -2.83 121.20 124.04 3dfq s ILE 185 Ca 0.35 0.03 -0.28 0.00 0.00 0.00 0.00 60.65 60.75 3dfq s ILE 185 Cb -0.19 -3.84 0.02 0.00 0.01 0.00 0.00 42.46 38.46 3dfq s ILE 185 CO 0.19 -0.11 1.04 -0.69 0.00 0.00 0.00 174.94 175.37 3dfq s VAL 186 N 2.03 4.52 -0.49 2.92 1.01 -0.26 -4.06 120.40 126.07 3dfq s VAL 186 Ca 0.12 1.60 0.04 0.00 0.00 0.00 0.00 61.98 63.74 3dfq s VAL 186 Cb -0.17 -4.40 0.13 0.00 0.00 0.00 0.00 36.38 31.94 3dfq s VAL 186 CO 0.12 -0.50 0.23 -0.70 0.00 0.00 0.00 175.10 174.25 3dfq s GLU 187 N 3.63 1.87 -0.97 2.72 2.12 -1.23 -0.48 118.70 126.36 3dfq s GLU 187 Ca 0.44 -2.49 -0.11 0.00 0.36 0.00 0.00 54.97 53.17 3dfq s GLU 187 Cb -0.12 -3.24 0.25 0.00 0.26 0.00 0.00 34.13 31.28 3dfq s GLU 187 CO 0.16 -1.09 0.94 -1.25 -0.54 0.00 0.00 175.26 173.48 3dfq s PRO 188 N -0.10 3.89 -0.11 4.30 0.04 -1.24 -1.03 135.00 140.75 3dfq s PRO 188 Ca 0.16 -2.86 -0.30 0.00 0.04 0.00 0.00 61.00 58.04 3dfq s PRO 188 Cb -0.25 -4.48 -0.01 0.00 0.04 0.00 0.00 34.50 29.80 3dfq s PRO 188 CO -0.01 -1.26 1.02 -2.00 0.04 0.00 0.00 177.00 174.79 3dfq s GLU 189 N -0.59 4.41 -0.37 4.56 2.12 -0.31 -4.52 118.70 123.99 3dfq s GLU 189 Ca 0.25 1.41 -0.13 0.00 0.36 0.00 0.00 54.97 56.86 3dfq s GLU 189 Cb -0.10 -3.55 0.01 0.00 0.26 0.00 0.00 34.13 30.75 3dfq s GLU 189 CO -0.08 -0.34 0.24 0.42 -0.54 0.00 0.00 175.26 174.96 3dfq s ILE 190 N 2.07 5.00 0.57 -3.70 1.01 -1.26 -0.43 121.20 124.47 3dfq s ILE 190 Ca 0.49 -0.56 -0.20 0.00 0.00 0.00 0.00 60.65 60.38 3dfq s ILE 190 Cb -0.19 -3.69 -0.05 0.00 0.01 0.00 0.00 42.46 38.54 3dfq s ILE 190 CO 0.18 -0.16 1.17 0.18 0.00 0.00 0.00 174.94 176.31 3dfq n LEU 191 N 5.08 4.67 -0.22 2.97 4.77 -0.03 -4.83 117.00 129.41 3dfq n LEU 191 Ca -0.12 0.89 0.15 0.00 -0.03 0.00 0.00 56.01 56.90 3dfq n LEU 191 Cb 0.48 -1.48 0.66 0.00 -2.33 0.00 0.00 43.42 40.74 3dfq n LEU 191 CO 0.38 -1.22 0.92 -0.81 -1.33 0.00 0.00 177.39 175.33 3dfq n PRO 192 N -1.07 1.13 -1.66 3.23 -0.04 -1.26 -4.51 135.00 130.82 3dfq n PRO 192 Ca 0.13 -0.45 -0.46 0.00 -0.04 0.00 0.00 63.50 62.68 3dfq n PRO 192 Cb 0.46 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.39 3dfq n PRO 192 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3dfq n ASP 193 N -0.55 2.62 0.00 3.54 9.92 -1.26 -0.09 116.55 130.73 3dfq n ASP 193 Ca 0.19 1.13 0.00 0.00 -0.53 0.00 0.00 54.79 55.58 3dfq n ASP 193 Cb 0.26 -1.40 0.00 0.00 -0.64 0.00 0.00 41.12 39.35 3dfq n ASP 193 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3dfq n GLY 194 N 2.36 1.65 1.11 0.44 0.00 -1.26 -4.60 105.19 104.89 3dfq n GLY 194 Ca 0.13 -2.25 0.08 0.00 0.00 0.00 0.00 46.02 43.98 3dfq n GLY 194 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dfq n ASP 195 N 0.00 4.24 -4.78 1.61 5.75 -1.26 -0.73 116.55 121.38 3dfq n ASP 195 Ca 0.00 -3.03 -0.31 0.00 -0.01 0.00 0.00 54.79 51.44 3dfq n ASP 195 Cb 0.00 -0.58 0.07 0.00 -1.03 0.00 0.00 41.12 39.58 3dfq n ASP 195 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 3dfq s HIS 196 N -2.84 2.76 0.50 2.11 -3.43 -1.26 -4.39 115.29 108.74 3dfq s HIS 196 Ca 0.45 1.52 0.01 0.00 -0.80 0.00 0.00 55.06 56.24 3dfq s HIS 196 Cb 0.36 -3.02 0.10 0.00 -1.43 0.00 0.00 32.58 28.59 3dfq s HIS 196 CO 0.10 -1.57 0.69 -0.40 -2.00 0.00 0.00 174.74 171.55 3dfq n ASP 197 N -3.11 1.06 -0.13 7.38 5.68 -1.26 0.08 116.55 126.24 3dfq n ASP 197 Ca 0.09 -1.86 -0.08 0.00 -0.50 0.00 0.00 54.79 52.44 3dfq n ASP 197 Cb 0.53 -0.43 -0.00 0.00 -1.14 0.00 0.00 41.12 40.08 3dfq n ASP 197 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 3dfq h LEU 198 N 0.00 0.49 -1.23 -2.12 5.85 -1.91 -2.42 115.31 113.97 3dfq h LEU 198 Ca -0.23 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.46 3dfq h LEU 198 Cb 0.87 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 3dfq h LEU 198 CO 0.26 0.41 0.53 0.11 -0.34 0.00 0.00 178.44 179.41 3dfq h LYS 199 N 0.53 0.99 -0.28 1.25 1.57 -1.95 -0.16 116.57 118.53 3dfq h LYS 199 Ca 0.14 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 3dfq h LYS 199 Cb 0.02 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 3dfq h LYS 199 CO -0.03 0.66 0.01 -0.09 -0.57 0.00 0.00 179.45 179.43 3dfq h ARG 200 N 1.02 0.49 -0.85 3.15 9.65 -1.87 -0.96 114.38 125.02 3dfq h ARG 200 Ca 0.32 -0.15 -0.03 0.00 -1.10 0.00 0.00 59.98 59.01 3dfq h ARG 200 Cb 0.00 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.50 3dfq h ARG 200 CO -0.09 0.64 0.41 0.00 2.80 0.00 0.00 179.97 183.73 3dfq h GLN 202 N 1.20 0.73 0.41 0.00 4.15 -0.82 0.07 115.11 120.86 3dfq h GLN 202 Ca 0.29 -0.14 -0.02 0.00 0.77 0.00 0.00 58.65 59.55 3dfq h GLN 202 Cb 0.11 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.69 3dfq h GLN 202 CO -0.04 0.67 -0.22 -0.92 -1.93 0.00 0.00 178.83 176.39 3dfq h TYR 203 N 0.65 -0.56 -0.64 3.99 3.20 -0.85 -0.46 116.97 122.30 3dfq h TYR 203 Ca 0.16 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.04 3dfq h TYR 203 Cb 0.21 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.64 3dfq h TYR 203 CO 0.01 -0.34 0.41 0.28 -1.64 0.00 0.00 178.16 176.87 3dfq h VAL 204 N -0.58 1.13 -0.71 1.81 2.07 -1.21 -1.52 116.25 117.23 3dfq h VAL 204 Ca -0.05 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.20 3dfq h VAL 204 Cb 0.46 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 3dfq h VAL 204 CO 0.08 0.15 0.46 0.74 0.02 0.00 0.00 177.57 179.02 3dfq h THR 205 N 0.83 1.14 -0.60 2.57 2.02 -0.80 0.47 112.91 118.55 3dfq h THR 205 Ca 0.25 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 67.08 3dfq h THR 205 Cb -0.04 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 66.48 3dfq h THR 205 CO -0.08 0.17 0.28 -0.33 0.37 0.00 0.00 175.52 175.93 3dfq h GLU 206 N 0.92 0.86 -0.38 6.66 5.08 -0.58 -0.98 114.58 126.16 3dfq h GLU 206 Ca 0.27 -0.13 -0.14 0.00 -1.00 0.00 0.00 59.36 58.36 3dfq h GLU 206 Cb -0.05 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 3dfq h GLU 206 CO -0.08 0.70 -0.32 0.87 -1.00 0.00 0.00 179.01 179.18 3dfq h LYS 207 N 0.82 0.84 -0.20 2.33 1.79 -0.77 -1.95 116.57 119.42 3dfq h LYS 207 Ca 0.20 -0.40 -0.04 0.00 -2.18 0.00 0.00 60.65 58.24 3dfq h LYS 207 Cb 0.13 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 3dfq h LYS 207 CO -0.02 1.03 -0.03 0.28 -1.08 0.00 0.00 179.45 179.63 3dfq h VAL 208 N 0.70 1.27 -0.24 0.50 2.07 -0.76 -2.39 116.25 117.41 3dfq h VAL 208 Ca 0.08 -0.97 -0.07 0.00 0.82 0.00 0.00 66.70 66.56 3dfq h VAL 208 Cb 0.87 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 3dfq h VAL 208 CO 0.08 0.30 -0.14 -0.07 0.02 0.00 0.00 177.57 177.76 3dfq h LEU 209 N 0.12 0.39 -0.62 2.57 3.38 -1.17 0.16 115.31 120.14 3dfq h LEU 209 Ca 0.05 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3dfq h LEU 209 Cb 0.46 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3dfq h LEU 209 CO 0.02 0.56 0.16 0.00 0.09 0.00 0.00 178.44 179.26 3dfq h ALA 210 N 1.48 0.81 -0.57 1.53 0.00 -1.26 -1.40 119.26 119.85 3dfq h ALA 210 Ca 0.07 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 3dfq h ALA 210 Cb 0.47 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3dfq h ALA 210 CO 0.03 0.52 -0.04 0.00 0.00 0.00 0.00 179.25 179.75 3dfq h ALA 211 N 1.05 0.77 0.03 0.00 0.00 -0.88 -2.17 119.26 118.05 3dfq h ALA 211 Ca 0.20 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3dfq h ALA 211 Cb 0.34 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3dfq h ALA 211 CO 0.00 0.64 -0.01 0.28 0.00 0.00 0.00 179.25 180.16 3dfq h VAL 212 N 0.92 1.00 0.00 0.00 2.07 -0.65 -1.68 116.25 117.91 3dfq h VAL 212 Ca 0.16 -0.07 -0.09 0.00 0.82 0.00 0.00 66.70 67.52 3dfq h VAL 212 Cb 0.61 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3dfq h VAL 212 CO 0.04 0.02 -0.42 1.88 0.02 0.00 0.00 177.57 179.10 3dfq h TYR 213 N -0.06 0.00 -0.51 1.57 0.05 -1.22 0.14 116.97 116.94 3dfq h TYR 213 Ca -0.00 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.65 3dfq h TYR 213 Cb 0.06 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.78 3dfq h TYR 213 CO -0.07 0.42 -0.17 -0.22 -1.05 0.00 0.00 178.16 177.08 3dfq h LYS 214 N 0.00 1.02 -0.53 4.88 1.63 -1.24 -1.04 116.57 121.28 3dfq h LYS 214 Ca -0.00 -0.41 -0.06 0.00 -0.85 0.00 0.00 60.65 59.33 3dfq h LYS 214 Cb 0.78 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.34 3dfq h LYS 214 CO 0.05 1.10 0.10 0.00 -3.45 0.00 0.00 179.45 177.25 3dfq h ALA 215 N 0.90 0.71 -0.68 5.00 0.00 -0.80 0.06 119.26 124.44 3dfq h ALA 215 Ca 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3dfq h ALA 215 Cb 0.74 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3dfq h ALA 215 CO 0.06 0.43 0.36 -0.07 0.00 0.00 0.00 179.25 180.03 3dfq h LEU 216 N 0.76 0.84 -0.23 0.00 3.38 -0.75 -1.37 115.31 117.95 3dfq h LEU 216 Ca 0.16 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 3dfq h LEU 216 Cb 0.38 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3dfq h LEU 216 CO 0.01 0.69 -0.08 -1.28 0.09 0.00 0.00 178.44 177.87 3dfq h SER 217 N 0.95 0.47 -0.49 -0.43 0.87 -0.77 0.18 113.55 114.31 3dfq h SER 217 Ca 0.24 -0.39 0.03 0.00 -1.23 0.00 0.00 61.79 60.44 3dfq h SER 217 Cb 0.05 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 3dfq h SER 217 CO -0.04 0.75 0.33 0.44 -0.53 0.00 0.00 176.83 177.78 3dfq h ASP 218 N 0.18 0.47 -0.45 6.23 3.32 -0.57 -1.62 116.42 123.97 3dfq h ASP 218 Ca 0.05 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3dfq h ASP 218 Cb 0.56 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3dfq h ASP 218 CO 0.03 0.32 0.00 1.41 -1.72 0.00 0.00 179.24 179.28 3dfq n HIS 219 N -4.47 0.73 -3.58 4.55 8.25 -0.55 -4.94 115.22 115.20 3dfq n HIS 219 Ca 0.06 -0.33 -0.23 0.00 -0.26 0.00 0.00 57.72 56.95 3dfq n HIS 219 Cb 0.15 -0.06 0.08 0.00 1.12 0.00 0.00 29.99 31.29 3dfq n HIS 219 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3dfq n HIS 220 N 0.79 -2.76 -2.72 4.41 8.25 -0.61 -4.89 115.22 117.69 3dfq n HIS 220 Ca 0.16 1.00 -0.40 0.00 -0.26 0.00 0.00 57.72 58.22 3dfq n HIS 220 Cb 0.46 -5.02 -0.05 0.00 1.12 0.00 0.00 29.99 26.50 3dfq n HIS 220 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3dfq s ILE 221 N -3.33 4.23 -0.71 1.59 -1.09 0.03 -4.91 121.20 117.00 3dfq s ILE 221 Ca 0.49 2.05 -0.23 0.00 -2.23 0.00 0.00 60.65 60.73 3dfq s ILE 221 Cb -0.22 -4.31 0.07 0.00 -1.58 0.00 0.00 42.46 36.43 3dfq s ILE 221 CO 0.73 0.41 1.04 -0.47 -1.23 0.00 0.00 174.94 175.43 3dfq s TYR 222 N -0.65 2.66 0.45 3.97 5.04 -1.26 -4.81 117.35 122.74 3dfq s TYR 222 Ca 0.44 -0.59 0.12 0.00 -2.44 0.00 0.00 57.07 54.60 3dfq s TYR 222 Cb -0.25 -4.35 1.03 0.00 0.35 0.00 0.00 41.96 38.74 3dfq s TYR 222 CO 0.31 -1.70 2.05 -0.07 -1.34 0.00 0.00 175.55 174.80 3dfq h LEU 223 N 11.53 0.31 -2.06 6.97 3.38 -1.94 -0.78 115.31 132.73 3dfq h LEU 223 Ca -0.22 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 3dfq h LEU 223 Cb 1.06 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 3dfq h LEU 223 CO 1.20 0.21 -0.06 -0.33 0.09 0.00 0.00 178.44 179.55 3dfq h GLU 224 N 0.36 0.00 -0.97 1.13 3.07 -1.91 -1.81 114.58 114.45 3dfq h GLU 224 Ca 0.16 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.52 3dfq h GLU 224 Cb 0.20 0.00 -0.30 0.00 -0.84 0.00 0.00 28.75 27.81 3dfq h GLU 224 CO -0.04 0.06 0.63 0.41 -1.40 0.00 0.00 179.01 178.67 3dfq n GLY 225 N -0.60 4.51 3.19 -3.84 0.00 -0.30 -4.31 105.19 103.85 3dfq n GLY 225 Ca -0.01 -1.10 -0.11 0.00 0.00 0.00 0.00 46.02 44.80 3dfq n GLY 225 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dfq s THR 226 N -3.30 0.12 0.09 2.61 -4.23 -0.68 -4.02 115.64 106.23 3dfq s THR 226 Ca 0.56 -1.96 0.02 0.00 -1.18 0.00 0.00 61.69 59.13 3dfq s THR 226 Cb 0.48 -2.30 -0.04 0.00 1.34 0.00 0.00 72.50 71.98 3dfq s THR 226 CO 0.11 -0.22 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.13 3dfq s LEU 227 N -3.12 2.47 -0.09 4.79 1.43 -1.13 -3.53 118.68 119.49 3dfq s LEU 227 Ca 0.32 -0.93 0.03 0.00 -1.03 0.00 0.00 54.13 52.52 3dfq s LEU 227 Cb 0.07 -0.12 -0.01 0.00 0.03 0.00 0.00 46.19 46.16 3dfq s LEU 227 CO 0.07 -0.40 -0.20 -0.22 0.23 0.00 0.00 176.35 175.83 3dfq s LEU 228 N -2.80 2.32 -0.58 1.79 2.96 -0.15 -1.10 118.68 121.13 3dfq s LEU 228 Ca 0.08 -0.45 0.04 0.00 -0.22 0.00 0.00 54.13 53.59 3dfq s LEU 228 Cb 0.02 -1.47 0.15 0.00 0.50 0.00 0.00 46.19 45.39 3dfq s LEU 228 CO -0.03 0.20 0.34 -0.75 -1.32 0.00 0.00 176.35 174.79 3dfq s LYS 229 N 0.11 2.06 0.45 1.98 2.20 0.36 0.20 119.74 127.10 3dfq s LYS 229 Ca -0.10 -2.81 0.08 0.00 -0.36 0.00 0.00 55.97 52.78 3dfq s LYS 229 Cb -0.16 -3.20 0.01 0.00 -1.51 0.00 0.00 37.83 32.97 3dfq s LYS 229 CO 0.06 -1.19 0.51 -1.25 -0.36 0.00 0.00 175.35 173.12 3dfq s PRO 230 N -0.64 2.58 0.49 4.03 0.04 -1.26 -3.73 135.00 136.50 3dfq s PRO 230 Ca 0.20 -1.50 -0.17 0.00 0.04 0.00 0.00 61.00 59.57 3dfq s PRO 230 Cb -0.17 -2.52 -0.09 0.00 0.04 0.00 0.00 34.50 31.76 3dfq s PRO 230 CO -0.07 -0.35 0.97 0.54 0.04 0.00 0.00 177.00 178.13 3dfq s ASN 231 N -4.30 6.69 0.75 6.66 4.22 -1.26 -2.43 114.94 125.28 3dfq s ASN 231 Ca 0.51 1.58 -0.11 0.00 -2.14 0.00 0.00 52.86 52.70 3dfq s ASN 231 Cb -0.06 -2.51 0.04 0.00 1.28 0.00 0.00 41.25 40.01 3dfq s ASN 231 CO 0.31 -0.52 1.08 -0.04 -2.04 0.00 0.00 177.10 175.89 3dfq s MET 232 N -3.84 2.47 -0.39 3.55 -1.94 -1.26 -4.94 119.30 112.94 3dfq s MET 232 Ca 0.59 0.70 -0.21 0.00 -1.71 0.00 0.00 55.69 55.06 3dfq s MET 232 Cb -0.10 -1.96 0.01 0.00 2.01 0.00 0.00 34.83 34.80 3dfq s MET 232 CO 0.27 -1.37 0.68 0.08 -0.01 0.00 0.00 175.02 174.68 3dfq s VAL 233 N -3.16 4.81 0.11 -6.03 1.01 -1.26 -5.02 120.40 110.87 3dfq s VAL 233 Ca 0.59 0.48 -0.01 0.00 0.00 0.00 0.00 61.98 63.04 3dfq s VAL 233 Cb -0.14 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 3dfq s VAL 233 CO 0.54 -0.47 0.05 0.42 0.00 0.00 0.00 175.10 175.64 3dfq s THR 234 N 2.89 0.13 0.95 3.92 -4.23 -1.26 -4.45 115.64 113.59 3dfq s THR 234 Ca 0.26 -1.86 -0.12 0.00 -1.18 0.00 0.00 61.69 58.79 3dfq s THR 234 Cb -0.14 -1.90 0.16 0.00 1.34 0.00 0.00 72.50 71.96 3dfq s THR 234 CO 0.17 -0.59 1.09 -2.16 -0.54 0.00 0.00 174.62 172.60 3dfq s PRO 235 N -4.01 0.82 0.75 3.99 0.04 -1.26 -4.57 135.00 130.75 3dfq s PRO 235 Ca 0.19 0.64 -0.14 0.00 0.04 0.00 0.00 61.00 61.73 3dfq s PRO 235 Cb 0.07 -1.77 0.05 0.00 0.04 0.00 0.00 34.50 32.89 3dfq s PRO 235 CO -0.01 -2.49 1.18 0.20 0.04 0.00 0.00 177.00 175.91 3dfq s GLY 236 N -3.47 2.20 0.59 0.56 0.00 0.11 -4.88 107.32 102.43 3dfq s GLY 236 Ca 0.64 0.76 0.29 0.00 0.00 0.00 0.00 44.72 46.42 3dfq s GLY 236 CO 0.57 1.16 2.16 0.84 0.00 0.00 0.00 173.10 177.83 3dfq h HIS 237 N -0.50 0.00 -0.15 1.90 2.76 -0.17 -1.66 115.15 117.34 3dfq h HIS 237 Ca -0.47 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 57.70 3dfq h HIS 237 Cb 1.28 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.24 3dfq h HIS 237 CO 0.49 0.00 -0.00 0.00 -1.30 0.00 0.00 177.93 177.12 3dfq n ALA 238 N -2.32 2.70 -2.07 5.26 0.00 0.09 -4.99 120.51 119.18 3dfq n ALA 238 Ca -0.00 -2.47 -0.42 0.00 0.00 0.00 0.00 53.44 50.55 3dfq n ALA 238 Cb 0.22 -0.57 -0.03 0.00 0.00 0.00 0.00 19.45 19.08 3dfq n ALA 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dfq h THR 240 N 4.01 1.48 -3.73 0.00 1.35 -1.91 -3.44 112.91 110.67 3dfq h THR 240 Ca -0.43 -2.42 -0.51 0.00 -0.55 0.00 0.00 66.41 62.50 3dfq h THR 240 Cb 1.21 2.31 0.01 0.00 -1.73 0.00 0.00 68.15 69.95 3dfq h THR 240 CO 0.83 0.70 0.46 -1.58 -0.25 0.00 0.00 175.52 175.69 3dfq s GLN 241 N -3.39 4.65 0.11 4.72 0.74 -1.26 -5.04 119.66 120.19 3dfq s GLN 241 Ca -0.02 1.75 0.05 0.00 0.05 0.00 0.00 55.36 57.18 3dfq s GLN 241 Cb 0.11 -3.22 -0.04 0.00 1.10 0.00 0.00 33.01 30.96 3dfq s GLN 241 CO 0.80 0.21 0.03 0.15 -0.55 0.00 0.00 175.29 175.93 3dfq s LYS 242 N -1.12 2.62 0.17 1.67 -0.14 -1.26 -5.00 119.74 116.68 3dfq s LYS 242 Ca 0.45 -0.85 0.03 0.00 -1.36 0.00 0.00 55.97 54.24 3dfq s LYS 242 Cb -0.31 -2.56 -0.05 0.00 -1.68 0.00 0.00 37.83 33.24 3dfq s LYS 242 CO 0.38 0.53 -0.05 0.71 -0.76 0.00 0.00 175.35 176.16 3dfq s TYR 243 N -1.43 1.28 0.46 3.18 1.51 -1.26 -5.14 117.35 115.95 3dfq s TYR 243 Ca 0.27 -0.89 -0.00 0.00 -1.01 0.00 0.00 57.07 55.44 3dfq s TYR 243 Cb -0.11 -0.71 -0.00 0.00 -0.11 0.00 0.00 41.96 41.03 3dfq s TYR 243 CO 0.20 -0.05 0.68 -1.54 -1.11 0.00 0.00 175.55 173.73 3dfq s SER 244 N -3.19 5.83 0.39 2.29 1.04 -1.26 -4.97 113.70 113.84 3dfq s SER 244 Ca 0.21 0.33 0.09 0.00 0.48 0.00 0.00 55.95 57.05 3dfq s SER 244 Cb 0.05 -1.56 0.81 0.00 0.10 0.00 0.00 66.02 65.41 3dfq s SER 244 CO 0.03 -0.71 1.96 0.45 0.98 0.00 0.00 173.24 175.94 3dfq h HIS 245 N 0.37 0.33 -0.45 5.02 -0.00 -1.99 -1.93 115.15 116.50 3dfq h HIS 245 Ca -0.46 -0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 59.81 3dfq h HIS 245 Cb 1.25 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 28.54 3dfq h HIS 245 CO 0.46 0.36 -0.04 0.93 -0.00 0.00 0.00 177.93 179.63 3dfq h GLU 246 N 0.32 0.77 -0.35 2.45 3.07 -1.94 -0.29 114.58 118.61 3dfq h GLU 246 Ca 0.07 -0.22 -0.12 0.00 -0.50 0.00 0.00 59.36 58.59 3dfq h GLU 246 Cb 0.25 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 3dfq h GLU 246 CO 0.01 0.81 -0.24 0.93 -1.40 0.00 0.00 179.01 179.11 3dfq h GLU 247 N 0.71 0.78 -0.75 2.33 5.08 -1.76 -0.92 114.58 120.06 3dfq h GLU 247 Ca 0.13 -0.37 -0.04 0.00 -1.00 0.00 0.00 59.36 58.08 3dfq h GLU 247 Cb 0.50 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 3dfq h GLU 247 CO 0.03 1.00 0.31 0.82 -1.00 0.00 0.00 179.01 180.16 3dfq h ILE 248 N 0.57 1.25 -0.52 3.13 2.04 -1.17 -1.20 117.51 121.61 3dfq h ILE 248 Ca 0.07 -0.78 -0.05 0.00 1.00 0.00 0.00 64.86 65.10 3dfq h ILE 248 Cb 0.81 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 3dfq h ILE 248 CO 0.07 0.32 0.13 0.00 0.00 0.00 0.00 178.15 178.66 3dfq h ALA 249 N 1.15 0.69 -0.52 1.87 0.00 -0.88 -0.77 119.26 120.81 3dfq h ALA 249 Ca 0.25 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3dfq h ALA 249 Cb 0.20 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3dfq h ALA 249 CO -0.02 0.39 0.01 1.98 0.00 0.00 0.00 179.25 181.61 3dfq h MET 250 N 0.73 0.90 -0.40 0.00 1.85 -0.94 -0.53 114.93 116.55 3dfq h MET 250 Ca 0.16 -0.28 -0.04 0.00 -0.61 0.00 0.00 59.70 58.94 3dfq h MET 250 Cb 0.34 -0.09 -0.02 0.00 0.43 0.00 0.00 31.60 32.27 3dfq h MET 250 CO 0.00 0.92 0.11 0.00 -0.40 0.00 0.00 176.91 177.54 3dfq h ALA 251 N 0.95 0.53 0.16 0.39 0.00 -1.09 -0.80 119.26 119.40 3dfq h ALA 251 Ca 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3dfq h ALA 251 Cb 0.51 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3dfq h ALA 251 CO 0.02 0.19 -0.08 1.15 0.00 0.00 0.00 179.25 180.54 3dfq h THR 252 N 0.50 0.93 -0.52 0.00 2.02 -1.02 -1.68 112.91 113.15 3dfq h THR 252 Ca 0.13 -0.38 -0.06 0.00 0.77 0.00 0.00 66.41 66.86 3dfq h THR 252 Cb 0.29 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 3dfq h THR 252 CO -0.00 0.09 0.08 0.58 0.37 0.00 0.00 175.52 176.64 3dfq h VAL 253 N -0.40 1.23 -0.31 3.16 2.07 -1.09 -1.88 116.25 119.04 3dfq h VAL 253 Ca -0.02 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 3dfq h VAL 253 Cb 0.31 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3dfq h VAL 253 CO 0.04 0.33 0.07 0.74 0.02 0.00 0.00 177.57 178.76 3dfq h THR 254 N 0.78 1.23 -0.43 2.57 2.02 -1.10 -0.49 112.91 117.49 3dfq h THR 254 Ca 0.16 -0.76 0.03 0.00 0.77 0.00 0.00 66.41 66.61 3dfq h THR 254 Cb 0.36 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 3dfq h THR 254 CO 0.01 0.25 0.23 0.00 0.37 0.00 0.00 175.52 176.38 3dfq h ALA 255 N 0.90 0.54 -0.50 6.16 0.00 -1.01 -1.89 119.26 123.46 3dfq h ALA 255 Ca 0.10 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3dfq h ALA 255 Cb 0.32 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3dfq h ALA 255 CO 0.00 -0.11 0.09 -0.07 0.00 0.00 0.00 179.25 179.16 3dfq h LEU 256 N 0.46 0.78 -2.01 0.00 3.38 -1.21 -2.70 115.31 114.00 3dfq h LEU 256 Ca 0.18 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3dfq h LEU 256 Cb 0.06 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 3dfq h LEU 256 CO -0.11 0.83 -0.07 0.03 0.09 0.00 0.00 178.44 179.21 3dfq h ARG 257 N 0.69 0.00 -0.01 1.13 3.08 -0.74 0.46 114.38 119.00 3dfq h ARG 257 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3dfq h ARG 257 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3dfq h ARG 257 CO 0.01 0.07 -0.13 0.54 -1.07 0.00 0.00 179.97 179.39 3dfq n ARG 258 N -4.14 0.91 0.00 0.04 1.74 -0.74 -4.56 116.66 109.91 3dfq n ARG 258 Ca -0.03 -0.42 0.00 0.00 -0.77 0.00 0.00 57.85 56.64 3dfq n ARG 258 Cb 0.16 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 3dfq n ARG 258 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3dfq n THR 259 N -0.68 0.00 -3.27 0.55 -2.24 -0.83 -5.00 114.28 102.80 3dfq n THR 259 Ca 0.15 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.51 3dfq n THR 259 Cb 0.30 -0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.45 3dfq n THR 259 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3dfq s VAL 260 N -0.67 5.03 0.36 2.28 1.01 0.09 -4.76 120.40 123.75 3dfq s VAL 260 Ca 0.00 -0.07 -0.27 0.00 0.00 0.00 0.00 61.98 61.63 3dfq s VAL 260 Cb 0.00 -4.03 -0.12 0.00 0.00 0.00 0.00 36.38 32.23 3dfq s VAL 260 CO 0.00 -0.37 1.31 -2.65 0.00 0.00 0.00 175.10 173.38 3dfq n PRO 261 N 5.73 2.15 0.26 2.72 -0.02 -1.26 -4.84 135.00 139.74 3dfq n PRO 261 Ca -0.06 0.76 0.17 0.00 -2.02 0.00 0.00 63.50 62.35 3dfq n PRO 261 Cb 0.48 -2.38 0.84 0.00 -0.02 0.00 0.00 33.50 32.41 3dfq n PRO 261 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3dfq h PRO 262 N 2.49 0.00 0.00 0.52 0.11 -1.96 -1.35 132.00 131.81 3dfq h PRO 262 Ca -0.47 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 3dfq h PRO 262 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 3dfq h PRO 262 CO 0.62 0.00 -0.10 0.00 -0.21 0.00 0.00 178.00 178.31 3dfq h ALA 263 N 1.49 1.18 -2.46 -0.75 0.00 -1.91 -3.43 119.26 113.38 3dfq h ALA 263 Ca 0.06 -0.09 -0.53 0.00 0.00 0.00 0.00 54.91 54.34 3dfq h ALA 263 Cb 0.69 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.49 3dfq h ALA 263 CO -0.00 0.13 1.02 0.08 0.00 0.00 0.00 179.25 180.48 3dfq s VAL 264 N -4.04 2.95 0.28 0.00 1.01 -0.51 -3.41 120.40 116.68 3dfq s VAL 264 Ca -0.02 0.41 -0.01 0.00 0.00 0.00 0.00 61.98 62.36 3dfq s VAL 264 Cb 0.12 -3.26 0.16 0.00 0.00 0.00 0.00 36.38 33.40 3dfq s VAL 264 CO 0.57 -0.00 1.83 0.74 0.00 0.00 0.00 175.10 178.24 3dfq h THR 265 N 4.80 1.22 -2.23 3.92 2.02 -1.65 -3.44 112.91 117.55 3dfq h THR 265 Ca -0.43 -0.80 0.12 0.00 0.77 0.00 0.00 66.41 66.07 3dfq h THR 265 Cb 1.20 0.68 -0.15 0.00 -1.74 0.00 0.00 68.15 68.14 3dfq h THR 265 CO 0.93 0.30 0.51 -0.83 0.37 0.00 0.00 175.52 176.81 3dfq s GLY 266 N -3.64 -0.45 -0.18 2.16 0.00 -1.26 -3.52 107.32 100.42 3dfq s GLY 266 Ca -0.10 1.04 0.00 0.00 0.00 0.00 0.00 44.72 45.67 3dfq s GLY 266 CO 0.80 0.34 -0.17 0.14 0.00 0.00 0.00 173.10 174.21 3dfq s VAL 267 N -3.08 2.33 -0.43 1.40 1.01 0.06 -0.98 120.40 120.71 3dfq s VAL 267 Ca 0.05 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.18 3dfq s VAL 267 Cb -0.01 -1.99 0.12 0.00 0.00 0.00 0.00 36.38 34.50 3dfq s VAL 267 CO -0.09 0.52 0.20 0.42 0.00 0.00 0.00 175.10 176.15 3dfq s THR 268 N 1.18 2.91 0.34 3.92 -4.23 0.13 -0.70 115.64 119.20 3dfq s THR 268 Ca 0.02 -2.48 -0.29 0.00 -1.18 0.00 0.00 61.69 57.76 3dfq s THR 268 Cb -0.14 -3.02 -0.11 0.00 1.34 0.00 0.00 72.50 70.57 3dfq s THR 268 CO -0.08 -0.71 1.47 -0.36 -0.54 0.00 0.00 174.62 174.40 3dfq s PHE 269 N 0.67 2.74 0.27 3.99 0.08 -0.28 -4.17 117.98 121.28 3dfq s PHE 269 Ca 0.12 1.14 -0.11 0.00 0.12 0.00 0.00 56.93 58.20 3dfq s PHE 269 Cb -0.22 -3.95 -0.07 0.00 -0.57 0.00 0.00 43.02 38.21 3dfq s PHE 269 CO -0.05 -2.85 0.62 -0.48 -0.10 0.00 0.00 175.22 172.36 3dfq s LEU 270 N -1.64 4.11 0.04 -0.37 0.05 -1.02 -1.45 118.68 118.40 3dfq s LEU 270 Ca 0.54 1.02 0.23 0.00 0.05 0.00 0.00 54.13 55.97 3dfq s LEU 270 Cb -0.45 -3.81 0.13 0.00 -2.05 0.00 0.00 46.19 40.01 3dfq s LEU 270 CO 0.57 -0.14 1.11 -1.54 -0.55 0.00 0.00 176.35 175.80 3dfq n SER 271 N -0.34 0.63 0.00 1.48 3.41 -1.26 -4.37 113.62 113.18 3dfq n SER 271 Ca 0.01 -0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 3dfq n SER 271 Cb 0.53 0.66 0.00 0.00 -0.26 0.00 0.00 64.21 65.14 3dfq n SER 271 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dfq n GLY 272 N 1.40 3.54 1.40 5.00 0.00 -1.26 -1.75 105.19 113.53 3dfq n GLY 272 Ca 0.03 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.07 3dfq n GLY 272 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dfq n GLY 273 N 0.00 2.62 3.77 -0.02 0.00 -1.26 -4.97 105.19 105.33 3dfq n GLY 273 Ca 0.00 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.83 3dfq n GLY 273 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dfq s GLN 274 N -1.32 3.77 0.99 1.61 -0.21 -0.71 -5.01 119.66 118.77 3dfq s GLN 274 Ca 0.49 2.03 -0.12 0.00 0.02 0.00 0.00 55.36 57.78 3dfq s GLN 274 Cb 0.28 -2.56 0.18 0.00 1.00 0.00 0.00 33.01 31.91 3dfq s GLN 274 CO 0.29 -0.62 1.10 -1.54 -2.12 0.00 0.00 175.29 172.40 3dfq s SER 275 N -0.99 2.74 0.17 5.90 1.04 -1.26 -4.71 113.70 116.59 3dfq s SER 275 Ca 0.61 1.16 -0.14 0.00 0.48 0.00 0.00 55.95 58.06 3dfq s SER 275 Cb -0.35 -1.82 0.10 0.00 0.10 0.00 0.00 66.02 64.05 3dfq s SER 275 CO 0.44 -3.06 1.79 -0.33 0.98 0.00 0.00 173.24 173.06 3dfq h GLU 276 N -1.84 0.49 -0.22 4.02 5.08 -1.88 -0.45 114.58 119.77 3dfq h GLU 276 Ca -0.54 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 57.74 3dfq h GLU 276 Cb 1.33 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 3dfq h GLU 276 CO 0.58 0.32 -0.05 1.49 -1.00 0.00 0.00 179.01 180.35 3dfq h GLU 277 N 0.50 0.42 -0.49 2.33 4.57 -1.92 -2.67 114.58 117.33 3dfq h GLU 277 Ca 0.20 -0.16 0.05 0.00 -1.18 0.00 0.00 59.36 58.27 3dfq h GLU 277 Cb 0.08 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.60 3dfq h GLU 277 CO -0.12 0.66 0.22 1.49 -1.18 0.00 0.00 179.01 180.08 3dfq h GLU 278 N 0.15 0.42 -0.92 1.92 4.81 -1.86 0.46 114.58 119.56 3dfq h GLU 278 Ca 0.05 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3dfq h GLU 278 Cb 0.51 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.75 3dfq h GLU 278 CO 0.02 0.28 0.61 0.00 -0.73 0.00 0.00 179.01 179.19 3dfq h ALA 279 N 1.28 1.17 -0.24 2.92 0.00 -1.04 -0.64 119.26 122.71 3dfq h ALA 279 Ca 0.22 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 3dfq h ALA 279 Cb 0.17 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3dfq h ALA 279 CO -0.18 0.57 -0.40 0.77 0.00 0.00 0.00 179.25 180.01 3dfq h SER 280 N 1.25 0.77 -0.64 0.00 0.02 -1.05 -2.39 113.55 111.52 3dfq h SER 280 Ca 0.34 -0.53 -0.05 0.00 -0.84 0.00 0.00 61.79 60.71 3dfq h SER 280 Cb -0.14 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.15 3dfq h SER 280 CO -0.07 1.15 0.20 0.40 -1.14 0.00 0.00 176.83 177.36 3dfq h ILE 281 N 0.42 1.25 -0.54 3.27 2.04 -0.68 -1.54 117.51 121.72 3dfq h ILE 281 Ca 0.02 -0.85 -0.12 0.00 1.00 0.00 0.00 64.86 64.91 3dfq h ILE 281 Cb 0.99 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 3dfq h ILE 281 CO 0.09 0.33 -0.12 0.78 0.00 0.00 0.00 178.15 179.23 3dfq h ASN 282 N 0.92 1.04 -0.23 1.72 2.35 -1.13 -1.39 115.58 118.86 3dfq h ASN 282 Ca 0.21 -0.35 -0.08 0.00 -0.55 0.00 0.00 56.30 55.53 3dfq h ASN 282 Cb 0.29 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 3dfq h ASN 282 CO -0.01 1.15 -0.10 0.25 -1.65 0.00 0.00 177.43 177.07 3dfq h LEU 283 N 0.92 0.60 -0.35 1.61 5.85 -1.28 -0.26 115.31 122.40 3dfq h LEU 283 Ca 0.14 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 3dfq h LEU 283 Cb 0.69 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 3dfq h LEU 283 CO 0.05 0.74 -0.03 -1.13 -0.34 0.00 0.00 178.44 177.73 3dfq h ASN 284 N 0.57 0.63 -0.57 1.25 -1.24 -1.05 -1.96 115.58 113.21 3dfq h ASN 284 Ca 0.10 -0.33 -0.04 0.00 0.71 0.00 0.00 56.30 56.74 3dfq h ASN 284 Cb 0.52 -0.17 -0.03 0.00 0.73 0.00 0.00 38.32 39.37 3dfq h ASN 284 CO 0.03 0.81 0.21 0.00 -1.29 0.00 0.00 177.43 177.19 3dfq h ALA 285 N 0.84 1.23 -0.43 1.57 0.00 -0.86 -1.11 119.26 120.50 3dfq h ALA 285 Ca 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3dfq h ALA 285 Cb 0.50 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3dfq h ALA 285 CO 0.02 0.55 0.23 0.82 0.00 0.00 0.00 179.25 180.87 3dfq h ILE 286 N 0.89 1.16 0.00 0.00 2.04 -0.84 -1.35 117.51 119.40 3dfq h ILE 286 Ca 0.20 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.63 3dfq h ILE 286 Cb 0.22 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3dfq h ILE 286 CO -0.01 0.17 0.00 0.78 0.00 0.00 0.00 178.15 179.09 3dfq h ASN 287 N 0.56 0.00 0.21 1.72 2.35 -0.89 -2.71 115.58 116.82 3dfq h ASN 287 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3dfq h ASN 287 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3dfq h ASN 287 CO -0.02 0.00 -0.39 0.29 -1.65 0.00 0.00 177.43 175.65 3dfq n LYS 288 N -2.92 0.73 -1.68 0.81 5.02 -0.46 -4.75 118.16 114.90 3dfq n LYS 288 Ca 0.02 -0.49 -0.45 0.00 -2.02 0.00 0.00 58.31 55.37 3dfq n LYS 288 Cb 0.33 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.81 3dfq n LYS 288 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dfq n PRO 290 N 3.75 0.71 -4.34 0.00 -0.04 -1.26 -4.80 135.00 129.03 3dfq n PRO 290 Ca 0.17 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.40 3dfq n PRO 290 Cb 0.30 -1.14 -0.12 0.00 -0.04 0.00 0.00 33.50 32.51 3dfq n PRO 290 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3dfq s LEU 291 N 0.00 2.41 0.05 1.53 1.43 -1.26 -5.10 118.68 117.73 3dfq s LEU 291 Ca 0.00 -0.83 -0.31 0.00 -1.03 0.00 0.00 54.13 51.97 3dfq s LEU 291 Cb 0.00 -0.90 -0.06 0.00 0.03 0.00 0.00 46.19 45.26 3dfq s LEU 291 CO 0.00 0.01 1.33 -0.22 0.23 0.00 0.00 176.35 177.70 3dfq s LEU 292 N -2.51 4.35 -0.30 1.79 0.20 -1.26 -5.00 118.68 115.94 3dfq s LEU 292 Ca 0.15 2.14 0.03 0.00 0.69 0.00 0.00 54.13 57.13 3dfq s LEU 292 Cb -0.07 -3.57 0.09 0.00 -0.43 0.00 0.00 46.19 42.20 3dfq s LEU 292 CO 0.07 -0.62 0.01 -0.54 -0.29 0.00 0.00 176.35 174.98 3dfq s LYS 293 N 1.58 1.54 0.00 1.98 3.01 -1.26 -4.97 119.74 121.61 3dfq s LYS 293 Ca 0.62 -1.51 0.14 0.00 -1.01 0.00 0.00 55.97 54.21 3dfq s LYS 293 Cb -0.32 -2.87 0.84 0.00 -1.01 0.00 0.00 37.83 34.47 3dfq s LYS 293 CO 0.28 -0.82 1.37 -0.35 0.51 0.00 0.00 175.35 176.34 3dfq n PRO 294 N 4.44 0.76 -4.14 -1.68 -0.04 -1.26 -4.81 135.00 128.28 3dfq n PRO 294 Ca -0.03 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.31 3dfq n PRO 294 Cb 0.42 -1.29 -0.11 0.00 -0.04 0.00 0.00 33.50 32.49 3dfq n PRO 294 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3dfq s TRP 295 N -2.00 0.87 0.38 0.54 0.51 -1.26 -4.93 118.94 113.05 3dfq s TRP 295 Ca 0.21 -0.71 -0.28 0.00 -2.12 0.00 0.00 56.10 53.21 3dfq s TRP 295 Cb 0.10 -0.50 -0.10 0.00 -0.81 0.00 0.00 33.47 32.16 3dfq s TRP 295 CO 0.16 -0.09 1.40 0.00 -0.51 0.00 0.00 176.95 177.92 3dfq s ALA 296 N -2.56 3.46 -0.36 0.98 0.00 -1.23 -4.84 121.76 117.20 3dfq s ALA 296 Ca 0.03 1.43 0.04 0.00 0.00 0.00 0.00 51.96 53.46 3dfq s ALA 296 Cb -0.02 -3.55 0.10 0.00 0.00 0.00 0.00 23.12 19.65 3dfq s ALA 296 CO -0.02 -0.93 0.08 -0.51 0.00 0.00 0.00 175.76 174.38 3dfq s LEU 297 N -2.15 4.58 0.00 0.00 1.43 -1.26 -0.76 118.68 120.51 3dfq s LEU 297 Ca 0.53 -2.25 0.00 0.00 -1.03 0.00 0.00 54.13 51.39 3dfq s LEU 297 Cb -0.43 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.20 3dfq s LEU 297 CO 0.57 -0.36 0.00 1.07 0.23 0.00 0.00 176.35 177.86 3dfq n THR 298 N 4.13 0.00 -4.39 5.49 5.66 0.12 -4.64 114.28 120.65 3dfq n THR 298 Ca 0.04 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.77 3dfq n THR 298 Cb 0.41 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.08 3dfq n THR 298 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 3dfq s PHE 299 N 0.06 2.39 -0.43 1.09 -0.71 -1.26 -1.13 117.98 117.99 3dfq s PHE 299 Ca 0.00 -0.32 0.05 0.00 -1.04 0.00 0.00 56.93 55.62 3dfq s PHE 299 Cb 0.00 -1.16 0.18 0.00 -1.21 0.00 0.00 43.02 40.82 3dfq s PHE 299 CO 0.00 0.53 0.43 0.45 -1.34 0.00 0.00 175.22 175.28 3dfq n SER 300 N 0.11 -1.08 -4.77 1.98 2.88 -0.53 0.70 113.62 112.91 3dfq n SER 300 Ca -0.11 -2.49 -0.33 0.00 -1.33 0.00 0.00 58.87 54.60 3dfq n SER 300 Cb 0.56 -0.08 -0.07 0.00 -0.75 0.00 0.00 64.21 63.87 3dfq n SER 300 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3dfq s TYR 301 N 0.19 3.27 0.00 0.66 2.02 -0.88 -4.27 117.35 118.33 3dfq s TYR 301 Ca 0.32 0.20 0.00 0.00 -0.37 0.00 0.00 57.07 57.23 3dfq s TYR 301 Cb 0.04 -1.74 0.00 0.00 -0.40 0.00 0.00 41.96 39.86 3dfq s TYR 301 CO -0.17 0.54 0.00 0.41 -1.57 0.00 0.00 175.55 174.76 3dfq n GLY 302 N 1.29 0.07 0.34 0.71 0.00 -1.26 -0.49 105.19 105.85 3dfq n GLY 302 Ca -0.14 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.93 3dfq n GLY 302 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3dfq h ARG 303 N 0.00 0.72 0.00 1.61 3.08 -1.94 -1.11 114.38 116.74 3dfq h ARG 303 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3dfq h ARG 303 Cb 0.00 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.89 3dfq h ARG 303 CO 0.00 0.48 0.00 0.00 -1.07 0.00 0.00 179.97 179.38 3dfq n ALA 304 N -2.45 1.26 0.01 0.04 0.00 -1.26 -0.39 120.51 117.71 3dfq n ALA 304 Ca 0.08 0.10 0.03 0.00 0.00 0.00 0.00 53.44 53.65 3dfq n ALA 304 Cb 0.14 -1.26 -0.05 0.00 0.00 0.00 0.00 19.45 18.28 3dfq n ALA 304 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3dfq n LEU 305 N -2.01 0.01 -0.01 0.00 4.77 -0.53 -4.61 117.00 114.62 3dfq n LEU 305 Ca 0.00 -0.01 0.06 0.00 -0.03 0.00 0.00 56.01 56.03 3dfq n LEU 305 Cb 0.09 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.08 3dfq n LEU 305 CO 0.11 0.00 -0.65 0.00 -1.33 0.00 0.00 177.39 175.52 3dfq n GLN 306 N -1.71 0.39 -0.41 3.23 6.02 -0.54 -4.57 117.38 119.79 3dfq n GLN 306 Ca -0.01 -0.12 -0.10 0.00 -0.01 0.00 0.00 57.00 56.76 3dfq n GLN 306 Cb 0.17 -1.30 -0.08 0.00 1.02 0.00 0.00 30.24 30.04 3dfq n GLN 306 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3dfq n ALA 307 N -1.94 -0.58 0.11 -1.58 0.00 0.47 -0.78 120.51 116.21 3dfq n ALA 307 Ca -0.02 0.86 -0.03 0.00 0.00 0.00 0.00 53.44 54.25 3dfq n ALA 307 Cb 0.33 -0.17 0.15 0.00 0.00 0.00 0.00 19.45 19.76 3dfq n ALA 307 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3dfq h SER 308 N 0.00 0.15 -0.32 0.00 0.02 -1.86 -2.92 113.55 108.62 3dfq h SER 308 Ca 0.18 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.98 3dfq h SER 308 Cb 0.43 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 3dfq h SER 308 CO -0.94 0.71 -0.04 0.00 -1.14 0.00 0.00 176.83 175.42 3dfq h ALA 309 N 1.29 0.44 -0.52 3.77 0.00 -1.51 -0.85 119.26 121.87 3dfq h ALA 309 Ca -0.01 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.65 3dfq h ALA 309 Cb 1.08 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 3dfq h ALA 309 CO 0.09 0.24 0.33 1.25 0.00 0.00 0.00 179.25 181.15 3dfq h LEU 310 N 0.38 0.57 -0.56 0.00 5.85 -0.95 -0.55 115.31 120.03 3dfq h LEU 310 Ca 0.08 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 3dfq h LEU 310 Cb 0.52 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3dfq h LEU 310 CO 0.03 0.41 0.06 0.50 -0.34 0.00 0.00 178.44 179.09 3dfq h LYS 311 N 0.68 0.95 -0.41 1.25 3.64 -1.40 -1.83 116.57 119.45 3dfq h LYS 311 Ca 0.20 -0.27 -0.09 0.00 -1.27 0.00 0.00 60.65 59.21 3dfq h LYS 311 Cb -0.05 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 3dfq h LYS 311 CO -0.06 0.93 -0.12 0.00 -2.27 0.00 0.00 179.45 177.93 3dfq h ALA 312 N 0.99 1.02 0.54 5.00 0.00 -0.88 -3.07 119.26 122.86 3dfq h ALA 312 Ca 0.17 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3dfq h ALA 312 Cb 0.46 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.09 3dfq h ALA 312 CO 0.02 0.59 -0.26 2.35 0.00 0.00 0.00 179.25 181.95 3dfq h TRP 313 N 0.67 -0.68 -0.33 0.00 7.01 -0.93 -3.42 115.95 118.27 3dfq h TRP 313 Ca 0.11 -0.02 -0.14 0.00 2.11 0.00 0.00 58.89 60.95 3dfq h TRP 313 Cb 0.59 0.22 -0.06 0.00 -2.10 0.00 0.00 29.16 27.82 3dfq h TRP 313 CO 0.03 -0.37 -0.13 0.41 -2.79 0.00 0.00 178.44 175.59 3dfq n GLY 314 N -1.00 0.78 2.44 2.65 0.00 -0.70 -2.01 105.19 107.35 3dfq n GLY 314 Ca -0.12 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3dfq n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dfq n GLY 315 N -0.45 0.81 3.66 -0.02 0.00 -1.26 -4.86 105.19 103.07 3dfq n GLY 315 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 3dfq n GLY 315 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dfq s LYS 316 N -0.07 4.06 0.49 1.61 1.02 -0.85 -4.99 119.74 121.01 3dfq s LYS 316 Ca 0.00 -0.29 0.14 0.00 0.02 0.00 0.00 55.97 55.85 3dfq s LYS 316 Cb 0.00 -3.40 1.17 0.00 -0.52 0.00 0.00 37.83 35.09 3dfq s LYS 316 CO 0.00 0.18 2.11 1.57 -0.92 0.00 0.00 175.35 178.29 3dfq h LYS 317 N 7.06 0.14 0.00 1.68 2.10 -1.95 -1.92 116.57 123.68 3dfq h LYS 317 Ca -0.39 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.26 3dfq h LYS 317 Cb 1.16 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 3dfq h LYS 317 CO 0.70 0.10 0.00 -0.85 -2.00 0.00 0.00 179.45 177.39 3dfq n GLU 318 N -4.51 0.01 -0.75 0.07 0.00 -1.26 -2.62 120.64 111.58 3dfq n GLU 318 Ca -0.00 0.23 0.08 0.00 0.00 0.00 0.00 57.16 57.47 3dfq n GLU 318 Cb 0.13 -1.53 0.37 0.00 0.00 0.00 0.00 31.44 30.42 3dfq n GLU 318 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3dfq n ASN 319 N -1.55 5.19 0.11 -1.84 3.02 -0.72 -4.64 115.26 114.82 3dfq n ASN 319 Ca 0.04 -2.79 -0.14 0.00 -0.03 0.00 0.00 54.58 51.67 3dfq n ASN 319 Cb 0.20 -0.63 -0.07 0.00 -0.61 0.00 0.00 39.78 38.67 3dfq n ASN 319 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3dfq h LEU 320 N 3.72 -1.10 -0.44 3.41 5.85 -1.65 -0.40 115.31 124.71 3dfq h LEU 320 Ca 0.00 0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.88 3dfq h LEU 320 Cb 1.74 0.41 -0.04 0.00 0.37 0.00 0.00 40.66 43.15 3dfq h LEU 320 CO 0.37 -0.45 0.23 0.11 -0.34 0.00 0.00 178.44 178.36 3dfq h LYS 321 N -0.60 0.44 -0.72 1.25 1.79 -1.87 -0.48 116.57 116.38 3dfq h LYS 321 Ca 0.03 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.46 3dfq h LYS 321 Cb 0.64 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 31.15 3dfq h LYS 321 CO -0.22 0.29 0.39 0.00 -1.08 0.00 0.00 179.45 178.83 3dfq h ALA 322 N 1.22 0.93 -0.19 3.86 0.00 -1.84 -0.89 119.26 122.35 3dfq h ALA 322 Ca 0.18 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3dfq h ALA 322 Cb 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3dfq h ALA 322 CO -0.12 0.45 0.01 0.00 0.00 0.00 0.00 179.25 179.58 3dfq h ALA 323 N 1.20 0.25 -0.15 0.00 0.00 -0.73 -2.74 119.26 117.09 3dfq h ALA 323 Ca 0.25 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3dfq h ALA 323 Cb 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3dfq h ALA 323 CO -0.04 -0.05 -0.02 1.96 0.00 0.00 0.00 179.25 181.10 3dfq h GLN 324 N 0.08 0.22 -0.64 0.00 4.20 -0.93 -2.24 115.11 115.81 3dfq h GLN 324 Ca 0.05 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 3dfq h GLN 324 Cb 0.37 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 3dfq h GLN 324 CO 0.01 0.26 0.33 1.49 -0.67 0.00 0.00 178.83 180.25 3dfq h GLU 325 N 0.22 0.90 -0.77 1.46 4.57 -0.88 -0.40 114.58 119.67 3dfq h GLU 325 Ca 0.05 -0.12 -0.05 0.00 -1.18 0.00 0.00 59.36 58.06 3dfq h GLU 325 Cb 0.19 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 3dfq h GLU 325 CO 0.01 0.69 0.27 0.93 -1.18 0.00 0.00 179.01 179.73 3dfq h GLU 326 N 0.87 1.18 0.15 1.92 4.39 -1.13 -1.07 114.58 120.89 3dfq h GLU 326 Ca 0.22 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 3dfq h GLU 326 Cb 0.07 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 3dfq h GLU 326 CO -0.03 0.98 -0.07 -0.92 -1.16 0.00 0.00 179.01 177.81 3dfq h TYR 327 N 1.14 -0.18 -0.59 4.33 3.20 -1.15 -2.56 116.97 121.15 3dfq h TYR 327 Ca 0.25 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.22 3dfq h TYR 327 Cb 0.27 0.06 -0.08 0.00 1.54 0.00 0.00 36.73 38.53 3dfq h TYR 327 CO 0.02 -0.00 0.17 0.28 -1.64 0.00 0.00 178.16 176.99 3dfq h VAL 328 N -0.33 0.71 -0.61 1.81 2.07 -0.89 0.64 116.25 119.66 3dfq h VAL 328 Ca -0.02 -0.11 0.10 0.00 0.82 0.00 0.00 66.70 67.49 3dfq h VAL 328 Cb 0.26 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 30.32 3dfq h VAL 328 CO 0.03 0.06 0.22 0.11 0.02 0.00 0.00 177.57 178.01 3dfq h LYS 329 N 0.32 0.38 -0.03 1.57 1.57 -0.99 0.81 116.57 120.20 3dfq h LYS 329 Ca 0.30 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.91 3dfq h LYS 329 Cb 0.41 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 3dfq h LYS 329 CO -0.35 0.25 -0.67 0.00 -0.57 0.00 0.00 179.45 178.11 3dfq h ARG 330 N 0.39 0.13 -0.51 3.15 2.47 -0.89 -1.66 114.38 117.46 3dfq h ARG 330 Ca 0.31 -0.10 -0.07 0.00 -1.26 0.00 0.00 59.98 58.86 3dfq h ARG 330 Cb 0.39 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.71 3dfq h ARG 330 CO -0.32 0.75 0.06 0.00 0.56 0.00 0.00 179.97 181.02 3dfq h ALA 331 N 1.22 0.67 -0.51 0.04 0.00 0.10 -1.57 119.26 119.22 3dfq h ALA 331 Ca -0.01 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 3dfq h ALA 331 Cb 1.19 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3dfq h ALA 331 CO 0.10 0.43 -0.08 -0.07 0.00 0.00 0.00 179.25 179.63 3dfq h LEU 332 N 0.73 0.95 -0.55 0.00 3.38 -0.78 -1.14 115.31 117.89 3dfq h LEU 332 Ca 0.15 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 3dfq h LEU 332 Cb 0.43 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3dfq h LEU 332 CO 0.01 1.07 0.26 0.00 0.09 0.00 0.00 178.44 179.87 3dfq h ALA 333 N 0.92 0.71 0.00 1.53 0.00 -1.16 -2.18 119.26 119.08 3dfq h ALA 333 Ca 0.14 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3dfq h ALA 333 Cb 0.63 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3dfq h ALA 333 CO 0.04 0.28 -0.61 -0.91 0.00 0.00 0.00 179.25 178.06 3dfq h ASN 334 N 0.75 0.00 -0.54 0.00 2.35 -1.23 -0.78 115.58 116.13 3dfq h ASN 334 Ca 0.19 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.85 3dfq h ASN 334 Cb 0.13 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 3dfq h ASN 334 CO -0.02 0.61 0.02 -1.28 -1.65 0.00 0.00 177.43 175.10 3dfq h SER 335 N 0.00 0.94 -0.25 5.81 0.87 -1.01 -0.51 113.55 119.40 3dfq h SER 335 Ca -0.01 -0.25 -0.19 0.00 -1.23 0.00 0.00 61.79 60.12 3dfq h SER 335 Cb 1.30 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 3dfq h SER 335 CO 0.08 0.99 -0.55 -0.07 -0.53 0.00 0.00 176.83 176.74 3dfq h LEU 336 N 0.90 0.95 -0.90 2.23 3.38 -1.24 -3.24 115.31 117.39 3dfq h LEU 336 Ca 0.17 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 3dfq h LEU 336 Cb 0.50 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3dfq h LEU 336 CO 0.02 1.30 0.48 0.00 0.09 0.00 0.00 178.44 180.34 3dfq h ALA 337 N 0.71 1.15 0.00 1.53 0.00 -0.69 0.62 119.26 122.59 3dfq h ALA 337 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3dfq h ALA 337 Cb 1.16 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3dfq h ALA 337 CO 0.12 0.67 0.00 0.00 0.00 0.00 0.00 179.25 180.04 3dfq n GLN 339 N -0.73 0.23 -2.00 0.00 6.02 -0.70 -4.67 117.38 115.54 3dfq n GLN 339 Ca 0.07 -0.34 -0.08 0.00 -0.01 0.00 0.00 57.00 56.64 3dfq n GLN 339 Cb 0.03 -0.82 -0.01 0.00 1.02 0.00 0.00 30.24 30.46 3dfq n GLN 339 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dfq n GLY 340 N 0.13 0.20 0.38 1.08 0.00 -0.48 -4.94 105.19 101.56 3dfq n GLY 340 Ca 0.00 -0.58 0.08 0.00 0.00 0.00 0.00 46.02 45.52 3dfq n GLY 340 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dfq n LYS 341 N -1.92 2.11 -3.49 1.61 5.02 0.13 -4.89 118.16 116.73 3dfq n LYS 341 Ca -0.09 -2.54 -0.38 0.00 -2.02 0.00 0.00 58.31 53.28 3dfq n LYS 341 Cb 0.52 -1.56 -0.06 0.00 -0.02 0.00 0.00 35.03 33.91 3dfq n LYS 341 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3dfq s TYR 342 N -2.57 3.69 -0.22 2.13 5.04 -1.23 -4.82 117.35 119.37 3dfq s TYR 342 Ca 0.32 0.95 -0.04 0.00 -2.44 0.00 0.00 57.07 55.85 3dfq s TYR 342 Cb 0.27 -2.31 0.08 0.00 0.35 0.00 0.00 41.96 40.35 3dfq s TYR 342 CO 0.05 0.57 0.12 0.95 -1.34 0.00 0.00 175.55 175.91 3dfq s THR 343 N -0.80 -0.11 0.40 4.34 -4.23 -1.26 -4.97 115.64 109.00 3dfq s THR 343 Ca 0.23 -0.41 0.21 0.00 -1.18 0.00 0.00 61.69 60.55 3dfq s THR 343 Cb -0.16 -0.76 0.41 0.00 1.34 0.00 0.00 72.50 73.33 3dfq s THR 343 CO 0.12 -0.46 1.70 -0.65 -0.54 0.00 0.00 174.62 174.79 3dfq h PRO 344 N 8.40 0.27 0.02 3.99 0.11 -2.00 -3.54 132.00 139.26 3dfq h PRO 344 Ca -0.17 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.94 3dfq h PRO 344 Cb 1.09 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3dfq h PRO 344 CO 0.35 0.18 -0.08 1.03 -0.21 0.00 0.00 178.00 179.27 3dfq h SER 345 N 0.28 -0.23 -6.26 -2.05 0.87 -2.04 -3.55 113.55 100.56 3dfq h SER 345 Ca 0.70 0.03 -0.32 0.00 -1.23 0.00 0.00 61.79 60.98 3dfq h SER 345 Cb 1.89 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.95 3dfq h SER 345 CO -0.41 -0.12 -0.71 -0.24 -0.53 0.00 0.00 176.83 174.82 3dfq n SER 359 N -5.20 -5.89 0.04 6.23 2.88 -1.26 -5.30 113.62 105.11 3dfq n SER 359 Ca -0.06 -0.65 0.09 0.00 -1.33 0.00 0.00 58.87 56.92 3dfq n SER 359 Cb 0.13 -2.96 0.38 0.00 -0.75 0.00 0.00 64.21 61.01 3dfq n SER 359 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3dfq n ASN 360 N -2.32 0.21 0.00 -3.46 0.23 -1.26 -2.29 115.26 106.37 3dfq n ASN 360 Ca -0.21 0.55 0.09 0.00 -0.53 0.00 0.00 54.58 54.48 3dfq n ASN 360 Cb 0.63 -0.60 0.43 0.00 -2.08 0.00 0.00 39.78 38.16 3dfq n ASN 360 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 3dfq n HIS 361 N -1.73 0.00 1.44 -2.53 8.25 -1.26 -1.70 115.22 117.68 3dfq n HIS 361 Ca 0.03 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.63 3dfq n HIS 361 Cb 0.20 -0.45 0.58 0.00 1.12 0.00 0.00 29.99 31.44 3dfq n HIS 361 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dfq n ALA 362 N -1.45 2.79 0.38 -1.41 0.00 -0.97 -5.31 120.51 114.54 3dfq n ALA 362 Ca 0.06 -0.31 0.05 0.00 0.00 0.00 0.00 53.44 53.23 3dfq n ALA 362 Cb 0.21 -1.29 0.04 0.00 0.00 0.00 0.00 19.45 18.41 3dfq n ALA 362 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16