#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f6y s LEU 2 N 0.00 4.36 -0.32 -0.89 2.96 -0.49 -4.98 118.68 119.32 1f6y s LEU 2 Ca 0.00 -0.12 -0.21 0.00 -0.22 0.00 0.00 54.13 53.58 1f6y s LEU 2 Cb 0.00 -2.80 -0.00 0.00 0.50 0.00 0.00 46.19 43.88 1f6y s LEU 2 CO 0.00 -0.75 0.65 -0.63 -1.32 0.00 0.00 176.35 174.30 1f6y s ILE 3 N 2.89 4.90 -0.43 6.68 -1.09 -1.26 -0.69 121.20 132.20 1f6y s ILE 3 Ca 0.25 0.80 -0.17 0.00 -2.23 0.00 0.00 60.65 59.30 1f6y s ILE 3 Cb -0.14 -4.04 0.03 0.00 -1.58 0.00 0.00 42.46 36.73 1f6y s ILE 3 CO 0.18 -0.22 0.44 -0.63 -1.23 0.00 0.00 174.94 173.49 1f6y s ILE 4 N 2.69 5.10 0.11 2.92 1.01 0.10 -2.03 121.20 131.10 1f6y s ILE 4 Ca 0.26 -0.46 -0.31 0.00 0.00 0.00 0.00 60.65 60.14 1f6y s ILE 4 Cb -0.15 -4.06 -0.09 0.00 0.01 0.00 0.00 42.46 38.18 1f6y s ILE 4 CO 0.13 -0.46 1.53 -0.83 0.00 0.00 0.00 174.94 175.31 1f6y s GLY 5 N 1.95 1.69 0.03 6.18 0.00 -0.13 -1.91 107.32 115.13 1f6y s GLY 5 Ca 0.11 1.22 0.25 0.00 0.00 0.00 0.00 44.72 46.30 1f6y s GLY 5 CO 0.12 2.62 1.39 -1.84 0.00 0.00 0.00 173.10 175.39 1f6y n GLU 6 N 4.54 0.10 0.16 2.90 0.28 -0.42 -0.80 120.64 127.39 1f6y n GLU 6 Ca 0.14 0.02 0.04 0.00 -0.16 0.00 0.00 57.16 57.20 1f6y n GLU 6 Cb 0.40 -1.55 0.18 0.00 1.43 0.00 0.00 31.44 31.90 1f6y n GLU 6 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 1f6y h ARG 7 N 0.00 0.00 -4.15 3.44 9.65 -1.85 -3.33 114.38 118.13 1f6y h ARG 7 Ca 0.00 0.00 -0.72 0.00 -1.10 0.00 0.00 59.98 58.16 1f6y h ARG 7 Cb 0.58 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 29.08 1f6y h ARG 7 CO 0.00 0.44 2.64 -0.89 2.80 0.00 0.00 179.97 184.97 1f6y n ILE 8 N -3.36 3.79 -4.40 1.20 5.41 -1.26 -4.87 119.36 115.86 1f6y n ILE 8 Ca 0.01 -3.60 -0.21 0.00 1.00 0.00 0.00 62.75 59.95 1f6y n ILE 8 Cb 0.62 -2.50 -0.16 0.00 -0.71 0.00 0.00 39.64 36.89 1f6y n ILE 8 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1f6y s ASN 9 N 2.72 1.30 0.62 4.38 3.04 -1.25 -2.26 114.94 123.48 1f6y s ASN 9 Ca 0.46 -0.20 0.39 0.00 0.04 0.00 0.00 52.86 53.54 1f6y s ASN 9 Cb 0.11 -0.45 2.05 0.00 -1.54 0.00 0.00 41.25 41.42 1f6y s ASN 9 CO -0.04 0.04 2.26 1.23 -3.04 0.00 0.00 177.10 177.55 1f6y h GLY 10 N 6.63 0.00 2.00 1.21 0.00 -0.92 -0.72 103.07 111.27 1f6y h GLY 10 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1f6y h GLY 10 CO 0.48 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.02 1f6y h MET 11 N 0.00 0.00 -5.87 4.80 -0.00 -1.87 -3.34 114.93 108.64 1f6y h MET 11 Ca -0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 59.70 59.13 1f6y h MET 11 Cb 0.13 0.00 -0.07 0.00 -0.00 0.00 0.00 31.60 31.66 1f6y h MET 11 CO 0.00 0.00 -0.06 -0.06 -0.00 0.00 0.00 176.91 176.79 1f6y s PHE 12 N -3.54 3.56 0.25 -0.10 0.08 -0.28 -4.99 117.98 112.96 1f6y s PHE 12 Ca 0.01 1.03 -0.04 0.00 0.12 0.00 0.00 56.93 58.05 1f6y s PHE 12 Cb 0.09 -2.62 0.37 0.00 -0.57 0.00 0.00 43.02 40.28 1f6y s PHE 12 CO 0.35 0.18 1.85 0.78 -0.10 0.00 0.00 175.22 178.28 1f6y h GLY 13 N 6.54 1.36 1.80 4.36 0.00 -1.86 -0.81 103.07 114.46 1f6y h GLY 13 Ca -0.42 -0.40 -0.10 0.00 0.00 0.00 0.00 47.33 46.42 1f6y h GLY 13 CO 0.74 0.25 -0.38 1.29 0.00 0.00 0.00 176.54 178.45 1f6y h ASP 14 N 0.99 0.24 0.34 0.19 -0.00 -1.93 -1.08 116.42 115.16 1f6y h ASP 14 Ca 0.40 -0.09 -0.25 0.00 -0.00 0.00 0.00 57.03 57.09 1f6y h ASP 14 Cb 0.22 -0.07 0.01 0.00 -0.00 0.00 0.00 39.33 39.49 1f6y h ASP 14 CO -0.19 0.60 -1.03 0.40 -0.00 0.00 0.00 179.24 179.02 1f6y h ILE 15 N 0.20 1.39 -0.74 4.15 1.08 -1.60 -1.05 117.51 120.94 1f6y h ILE 15 Ca 0.02 -2.53 -0.01 0.00 -0.39 0.00 0.00 64.86 61.95 1f6y h ILE 15 Cb 0.76 2.53 -0.04 0.00 -3.07 0.00 0.00 36.82 37.00 1f6y h ILE 15 CO 0.06 0.76 0.41 0.50 -0.69 0.00 0.00 178.15 179.19 1f6y h LYS 16 N 0.22 1.03 -0.12 2.37 3.11 -0.94 -0.87 116.57 121.37 1f6y h LYS 16 Ca -0.10 -0.12 -0.03 0.00 -2.81 0.00 0.00 60.65 57.59 1f6y h LYS 16 Cb 1.69 -0.20 -0.00 0.00 -1.00 0.00 0.00 32.23 32.71 1f6y h LYS 16 CO 0.18 0.76 -0.05 0.00 -2.81 0.00 0.00 179.45 177.54 1f6y h ARG 17 N 1.03 0.25 -0.77 1.90 3.08 -1.20 -1.30 114.38 117.36 1f6y h ARG 17 Ca 0.26 -0.10 0.09 0.00 0.07 0.00 0.00 59.98 60.30 1f6y h ARG 17 Cb 0.03 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.00 1f6y h ARG 17 CO -0.04 0.57 0.42 0.00 -1.07 0.00 0.00 179.97 179.84 1f6y h ALA 18 N 0.67 1.08 -0.20 0.04 0.00 -1.04 0.38 119.26 120.19 1f6y h ALA 18 Ca 0.03 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1f6y h ALA 18 Cb 0.49 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1f6y h ALA 18 CO 0.02 0.03 -0.05 0.82 0.00 0.00 0.00 179.25 180.07 1f6y h ILE 19 N 0.71 1.29 -0.42 0.00 2.04 -1.12 0.46 117.51 120.46 1f6y h ILE 19 Ca 0.37 -1.04 0.03 0.00 1.00 0.00 0.00 64.86 65.22 1f6y h ILE 19 Cb 0.36 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 1f6y h ILE 19 CO -0.25 0.32 0.22 -0.61 0.00 0.00 0.00 178.15 177.82 1f6y h GLN 20 N 0.12 0.43 0.00 2.37 4.15 -0.70 -2.08 115.11 119.39 1f6y h GLN 20 Ca 0.05 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1f6y h GLN 20 Cb 0.50 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.10 1f6y h GLN 20 CO 0.02 0.28 0.00 0.39 -1.93 0.00 0.00 178.83 177.59 1f6y n GLU 21 N -4.90 0.11 -3.91 1.69 1.02 0.13 -4.91 120.64 109.87 1f6y n GLU 21 Ca 0.02 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.89 1f6y n GLU 21 Cb 0.09 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.02 1f6y n GLU 21 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1f6y n ARG 22 N -1.45 -4.37 -3.53 3.49 5.12 0.79 -4.97 116.66 111.74 1f6y n ARG 22 Ca 0.09 0.52 -0.42 0.00 -1.93 0.00 0.00 57.85 56.11 1f6y n ARG 22 Cb 0.31 -5.07 -0.11 0.00 -1.16 0.00 0.00 32.46 26.44 1f6y n ARG 22 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1f6y s ASP 23 N -3.92 5.93 0.28 0.55 3.68 0.13 -4.97 116.67 118.35 1f6y s ASP 23 Ca 0.29 -0.95 0.26 0.00 2.13 0.00 0.00 52.55 54.28 1f6y s ASP 23 Cb -0.15 -2.09 0.91 0.00 -1.45 0.00 0.00 42.92 40.13 1f6y s ASP 23 CO 0.86 -0.42 1.76 1.55 0.13 0.00 0.00 175.17 179.04 1f6y h PRO 24 N 8.54 0.00 0.27 4.34 0.13 -1.93 -3.36 132.00 139.98 1f6y h PRO 24 Ca -0.26 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 1f6y h PRO 24 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1f6y h PRO 24 CO 0.70 0.00 -0.15 0.00 -0.23 0.00 0.00 178.00 178.32 1f6y h ALA 25 N 2.32 -0.39 -0.50 -0.56 0.00 -1.96 0.67 119.26 118.84 1f6y h ALA 25 Ca 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1f6y h ALA 25 Cb 0.57 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1f6y h ALA 25 CO 0.00 -0.72 0.33 -1.35 0.00 0.00 0.00 179.25 177.51 1f6y h PRO 26 N -0.40 0.56 0.16 0.00 0.11 -1.94 0.17 132.00 130.66 1f6y h PRO 26 Ca -0.03 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 1f6y h PRO 26 Cb 0.32 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.31 1f6y h PRO 26 CO 0.04 0.37 -0.08 0.28 -0.21 0.00 0.00 178.00 178.40 1f6y h VAL 27 N 0.57 0.96 -0.08 3.15 2.07 -1.59 -2.06 116.25 119.27 1f6y h VAL 27 Ca 0.20 -0.62 -0.06 0.00 0.82 0.00 0.00 66.70 67.05 1f6y h VAL 27 Cb 0.09 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1f6y h VAL 27 CO -0.05 0.14 -0.21 1.56 0.02 0.00 0.00 177.57 179.03 1f6y h GLN 28 N -0.52 0.13 -0.36 1.57 4.20 -0.48 -1.07 115.11 118.59 1f6y h GLN 28 Ca -0.02 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.54 1f6y h GLN 28 Cb 0.40 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1f6y h GLN 28 CO 0.04 0.34 -0.23 1.49 -0.67 0.00 0.00 178.83 179.80 1f6y h GLU 29 N 0.12 0.79 0.00 1.46 4.57 -0.94 -2.31 114.58 118.27 1f6y h GLU 29 Ca 0.02 -0.37 -0.04 0.00 -1.18 0.00 0.00 59.36 57.79 1f6y h GLU 29 Cb 0.45 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 1f6y h GLU 29 CO 0.03 1.00 -0.20 -1.49 -1.18 0.00 0.00 179.01 177.17 1f6y h TRP 30 N 0.58 0.00 -0.11 0.92 -0.00 -0.87 -2.46 115.95 114.01 1f6y h TRP 30 Ca 0.07 0.00 -0.03 0.00 -0.00 0.00 0.00 58.89 58.93 1f6y h TRP 30 Cb 0.79 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.95 1f6y h TRP 30 CO 0.06 0.20 -0.06 0.00 -0.00 0.00 0.00 178.44 178.65 1f6y h ALA 31 N 1.80 0.16 -0.09 1.49 0.00 -0.81 -1.96 119.26 119.85 1f6y h ALA 31 Ca -0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1f6y h ALA 31 Cb 0.52 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1f6y h ALA 31 CO 0.03 -0.06 0.02 0.00 0.00 0.00 0.00 179.25 179.23 1f6y h ARG 32 N -0.11 0.15 -0.10 0.00 3.08 -1.36 -2.33 114.38 113.70 1f6y h ARG 32 Ca 0.03 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.05 1f6y h ARG 32 Cb 0.51 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 1f6y h ARG 32 CO 0.02 0.36 0.03 0.00 -1.07 0.00 0.00 179.97 179.31 1f6y h ARG 33 N -0.08 0.08 0.11 0.04 3.08 -1.49 0.58 114.38 116.70 1f6y h ARG 33 Ca 0.03 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.08 1f6y h ARG 33 Cb 0.28 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1f6y h ARG 33 CO 0.00 0.06 -0.17 1.96 -1.07 0.00 0.00 179.97 180.75 1f6y h GLN 34 N 0.09 -0.32 -0.70 0.04 4.20 -1.39 0.54 115.11 117.57 1f6y h GLN 34 Ca 0.04 0.02 0.13 0.00 0.06 0.00 0.00 58.65 58.91 1f6y h GLN 34 Cb 0.02 0.07 -0.09 0.00 0.30 0.00 0.00 27.48 27.79 1f6y h GLN 34 CO -0.05 -0.21 0.24 1.49 -0.67 0.00 0.00 178.83 179.63 1f6y h GLU 35 N -0.33 0.37 0.00 1.46 4.81 -1.07 0.10 114.58 119.92 1f6y h GLU 35 Ca 0.02 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1f6y h GLU 35 Cb 0.34 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1f6y h GLU 35 CO -0.08 0.24 -0.18 0.93 -0.73 0.00 0.00 179.01 179.19 1f6y h GLU 36 N 0.38 0.00 -0.49 1.92 5.08 0.13 -0.58 114.58 121.01 1f6y h GLU 36 Ca 0.38 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.66 1f6y h GLU 36 Cb 0.56 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1f6y h GLU 36 CO -0.40 0.18 -0.00 0.78 -1.00 0.00 0.00 179.01 178.57 1f6y h GLY 37 N 1.22 0.89 0.00 -3.84 0.00 0.26 -3.47 103.07 98.13 1f6y h GLY 37 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.73 1f6y h GLY 37 CO 0.02 0.56 0.00 0.61 0.00 0.00 0.00 176.54 177.73 1f6y n GLY 38 N -0.61 0.14 3.75 4.60 0.00 -0.23 -4.81 105.19 108.04 1f6y n GLY 38 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1f6y n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f6y s ALA 39 N -0.91 3.51 -0.70 4.61 0.00 -1.02 -4.72 121.76 122.54 1f6y s ALA 39 Ca 0.00 1.18 0.10 0.00 0.00 0.00 0.00 51.96 53.23 1f6y s ALA 39 Cb 0.00 -3.47 0.28 0.00 0.00 0.00 0.00 23.12 19.92 1f6y s ALA 39 CO 0.00 -0.56 1.23 0.54 0.00 0.00 0.00 175.76 176.96 1f6y n ARG 40 N 1.67 2.87 -3.68 0.00 5.12 -0.86 -4.41 116.66 117.38 1f6y n ARG 40 Ca 0.03 -2.05 -0.12 0.00 -1.93 0.00 0.00 57.85 53.78 1f6y n ARG 40 Cb 0.42 -1.28 -0.06 0.00 -1.16 0.00 0.00 32.46 30.37 1f6y n ARG 40 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1f6y s ALA 41 N -1.20 -0.94 -0.20 7.54 0.00 -1.17 -3.60 121.76 122.19 1f6y s ALA 41 Ca 0.21 0.22 0.02 0.00 0.00 0.00 0.00 51.96 52.41 1f6y s ALA 41 Cb 0.12 0.37 0.03 0.00 0.00 0.00 0.00 23.12 23.65 1f6y s ALA 41 CO 0.12 -0.46 -0.16 -0.51 0.00 0.00 0.00 175.76 174.75 1f6y s LEU 42 N -2.08 2.49 0.19 0.00 1.02 -0.13 -0.96 118.68 119.22 1f6y s LEU 42 Ca -0.05 -0.87 -0.30 0.00 0.02 0.00 0.00 54.13 52.93 1f6y s LEU 42 Cb -0.01 -1.46 -0.08 0.00 0.02 0.00 0.00 46.19 44.66 1f6y s LEU 42 CO -0.03 -0.07 1.24 -0.62 0.02 0.00 0.00 176.35 176.89 1f6y s ASP 43 N 1.26 7.01 -0.18 2.29 2.15 0.02 0.18 116.67 129.40 1f6y s ASP 43 Ca 0.00 2.31 0.01 0.00 0.43 0.00 0.00 52.55 55.30 1f6y s ASP 43 Cb -0.15 -2.61 0.03 0.00 -0.30 0.00 0.00 42.92 39.89 1f6y s ASP 43 CO -0.10 -0.43 -0.13 -0.76 -0.17 0.00 0.00 175.17 173.58 1f6y s LEU 44 N -0.22 2.10 -0.13 -1.34 1.43 0.76 -4.16 118.68 117.12 1f6y s LEU 44 Ca 0.54 -0.74 -0.03 0.00 -1.03 0.00 0.00 54.13 52.87 1f6y s LEU 44 Cb -0.34 -1.25 0.05 0.00 0.03 0.00 0.00 46.19 44.68 1f6y s LEU 44 CO 0.38 -0.10 0.04 0.21 0.23 0.00 0.00 176.35 177.11 1f6y s ASN 45 N 1.41 2.07 0.56 2.29 3.84 -0.96 -0.02 114.94 124.14 1f6y s ASN 45 Ca 0.01 -0.40 0.36 0.00 0.21 0.00 0.00 52.86 53.04 1f6y s ASN 45 Cb -0.15 -0.38 1.66 0.00 -0.55 0.00 0.00 41.25 41.83 1f6y s ASN 45 CO -0.09 -0.28 2.08 0.58 -2.79 0.00 0.00 177.10 176.60 1f6y h VAL 46 N 6.42 0.00 0.00 -5.21 2.07 -1.87 0.12 116.25 117.78 1f6y h VAL 46 Ca -0.16 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1f6y h VAL 46 Cb 1.13 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1f6y h VAL 46 CO 0.27 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.47 1f6y n GLY 47 N -0.35 2.74 0.00 2.17 0.00 -1.26 -4.21 105.19 104.28 1f6y n GLY 47 Ca -0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1f6y n GLY 47 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1f6y n ASP 52 N 1.81 0.00 -0.03 1.61 -0.08 -1.26 -4.91 116.55 113.70 1f6y n ASP 52 Ca 0.00 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.19 1f6y n ASP 52 Cb 0.00 0.00 0.06 0.00 2.34 0.00 0.00 41.12 43.52 1f6y n ASP 52 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1f6y h LYS 53 N 0.00 0.64 0.06 -0.67 1.63 -2.01 -2.66 116.57 113.56 1f6y h LYS 53 Ca 0.00 -0.36 -0.00 0.00 -0.85 0.00 0.00 60.65 59.44 1f6y h LYS 53 Cb 0.00 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 1f6y h LYS 53 CO 0.00 0.97 -0.03 0.28 -3.45 0.00 0.00 179.45 177.22 1f6y h VAL 54 N 0.51 1.06 -0.83 2.00 2.07 -1.92 -1.02 116.25 118.11 1f6y h VAL 54 Ca 0.03 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1f6y h VAL 54 Cb 1.00 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 1f6y h VAL 54 CO 0.09 0.10 0.47 -1.28 0.02 0.00 0.00 177.57 176.97 1f6y h SER 55 N -0.25 1.02 -0.61 0.57 0.87 -1.96 -1.93 113.55 111.26 1f6y h SER 55 Ca -0.01 -0.09 -0.06 0.00 -1.23 0.00 0.00 61.79 60.41 1f6y h SER 55 Cb 0.22 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 1f6y h SER 55 CO 0.01 0.81 0.15 0.00 -0.53 0.00 0.00 176.83 177.28 1f6y h ALA 56 N 1.25 0.81 -0.27 6.23 0.00 -1.27 -1.02 119.26 124.98 1f6y h ALA 56 Ca 0.29 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1f6y h ALA 56 Cb -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1f6y h ALA 56 CO -0.05 0.51 0.17 1.98 0.00 0.00 0.00 179.25 181.87 1f6y h MET 57 N 0.89 0.37 -0.15 0.00 -1.53 -1.00 -0.13 114.93 113.39 1f6y h MET 57 Ca 0.19 -0.03 0.05 0.00 -3.44 0.00 0.00 59.70 56.48 1f6y h MET 57 Cb 0.35 -0.08 -0.06 0.00 -0.55 0.00 0.00 31.60 31.26 1f6y h MET 57 CO 0.00 0.26 -0.25 0.93 0.14 0.00 0.00 176.91 178.00 1f6y h GLU 58 N 0.36 -0.29 -0.80 0.39 5.08 -0.82 0.15 114.58 118.65 1f6y h GLU 58 Ca 0.10 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.53 1f6y h GLU 58 Cb -0.02 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 1f6y h GLU 58 CO -0.02 -0.19 0.49 2.35 -1.00 0.00 0.00 179.01 180.64 1f6y h TRP 59 N -0.30 0.91 -0.35 4.33 7.01 -1.12 -0.42 115.95 126.00 1f6y h TRP 59 Ca 0.11 0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.16 1f6y h TRP 59 Cb 0.46 -0.29 -0.03 0.00 -2.10 0.00 0.00 29.16 27.20 1f6y h TRP 59 CO -0.35 0.47 0.19 -0.07 -2.79 0.00 0.00 178.44 175.88 1f6y h LEU 60 N 0.91 0.28 0.44 0.65 4.07 0.37 0.45 115.31 122.49 1f6y h LEU 60 Ca 0.35 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.30 1f6y h LEU 60 Cb 0.14 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 41.84 1f6y h LEU 60 CO -0.16 0.21 -0.21 0.58 -1.08 0.00 0.00 178.44 177.78 1f6y h VAL 61 N 0.38 0.57 0.32 1.22 2.07 -0.16 -1.66 116.25 118.98 1f6y h VAL 61 Ca 0.15 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1f6y h VAL 61 Cb 0.04 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1f6y h VAL 61 CO -0.09 0.03 -0.18 -0.33 0.02 0.00 0.00 177.57 177.02 1f6y h GLU 62 N -0.68 -0.46 -0.78 1.57 5.08 -1.01 0.08 114.58 118.38 1f6y h GLU 62 Ca -0.06 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1f6y h GLU 62 Cb 0.50 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.81 1f6y h GLU 62 CO 0.10 -0.30 0.51 0.28 -1.00 0.00 0.00 179.01 178.60 1f6y h VAL 63 N -0.47 1.07 0.20 3.13 2.07 -0.94 -2.27 116.25 119.04 1f6y h VAL 63 Ca -0.04 -0.30 -0.26 0.00 0.82 0.00 0.00 66.70 66.92 1f6y h VAL 63 Cb 0.38 0.10 0.03 0.00 -1.52 0.00 0.00 31.29 30.29 1f6y h VAL 63 CO 0.04 0.16 -1.16 0.74 0.02 0.00 0.00 177.57 177.37 1f6y h THR 64 N 0.89 1.39 0.00 2.57 2.02 -1.05 -3.24 112.91 115.49 1f6y h THR 64 Ca 0.33 -2.62 0.00 0.00 0.77 0.00 0.00 66.41 64.89 1f6y h THR 64 Cb 0.17 3.12 0.00 0.00 -1.74 0.00 0.00 68.15 69.70 1f6y h THR 64 CO -0.11 0.77 0.00 0.00 0.37 0.00 0.00 175.52 176.55 1f6y n GLN 65 N -3.92 0.66 0.12 6.66 10.64 -0.01 -2.09 117.38 129.45 1f6y n GLN 65 Ca -0.16 0.02 0.13 0.00 -1.83 0.00 0.00 57.00 55.16 1f6y n GLN 65 Cb 0.97 -1.50 0.41 0.00 -0.86 0.00 0.00 30.24 29.25 1f6y n GLN 65 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 1f6y h GLU 66 N 0.00 0.00 0.00 2.61 4.81 -1.43 -3.32 114.58 117.25 1f6y h GLU 66 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1f6y h GLU 66 Cb 0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1f6y h GLU 66 CO 0.00 0.00 0.00 1.33 -0.73 0.00 0.00 179.01 179.61 1f6y n VAL 67 N -2.32 0.00 -3.80 0.32 0.24 -0.95 -5.07 118.33 106.76 1f6y n VAL 67 Ca 0.05 -0.22 -0.13 0.00 -2.04 0.00 0.00 64.34 62.00 1f6y n VAL 67 Cb 0.41 1.55 -0.12 0.00 -1.47 0.00 0.00 33.84 34.21 1f6y n VAL 67 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1f6y s SER 68 N -0.00 -0.21 -0.10 -1.34 0.15 -0.89 -4.89 113.70 106.43 1f6y s SER 68 Ca 0.00 0.41 0.19 0.00 0.70 0.00 0.00 55.95 57.25 1f6y s SER 68 Cb 0.00 0.40 0.73 0.00 -1.71 0.00 0.00 66.02 65.44 1f6y s SER 68 CO 0.00 -0.08 1.63 0.59 1.20 0.00 0.00 173.24 176.58 1f6y n ASN 69 N 3.10 4.71 -4.77 5.45 4.13 -1.26 -4.34 115.26 122.27 1f6y n ASN 69 Ca -0.14 -2.37 -0.36 0.00 1.68 0.00 0.00 54.58 53.39 1f6y n ASN 69 Cb 0.58 -0.57 -0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1f6y n ASN 69 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1f6y s LEU 70 N -1.71 3.84 0.17 3.41 1.43 -1.26 -4.96 118.68 119.61 1f6y s LEU 70 Ca 0.52 2.21 -0.33 0.00 -1.03 0.00 0.00 54.13 55.49 1f6y s LEU 70 Cb 0.32 -4.47 -0.15 0.00 0.03 0.00 0.00 46.19 41.92 1f6y s LEU 70 CO 0.27 -1.10 1.33 0.41 0.23 0.00 0.00 176.35 177.48 1f6y n THR 71 N -1.02 0.59 -3.83 5.49 -1.04 -1.24 -4.78 114.28 108.46 1f6y n THR 71 Ca 0.10 -0.15 -0.35 0.00 -2.04 0.00 0.00 64.05 61.61 1f6y n THR 71 Cb 0.50 -1.11 -0.09 0.00 -1.82 0.00 0.00 70.33 67.80 1f6y n THR 71 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1f6y s LEU 72 N 0.51 3.96 -0.57 -4.42 1.02 -1.25 -0.96 118.68 116.97 1f6y s LEU 72 Ca 0.75 0.10 -0.10 0.00 0.02 0.00 0.00 54.13 54.91 1f6y s LEU 72 Cb -0.79 -2.03 0.15 0.00 0.02 0.00 0.00 46.19 43.53 1f6y s LEU 72 CO 0.48 0.13 0.45 0.00 0.02 0.00 0.00 176.35 177.43 1f6y s LEU 74 N 0.92 3.77 -0.47 0.00 1.43 0.32 -0.17 118.68 124.48 1f6y s LEU 74 Ca 0.10 1.16 -0.02 0.00 -1.03 0.00 0.00 54.13 54.34 1f6y s LEU 74 Cb -0.23 -3.54 0.13 0.00 0.03 0.00 0.00 46.19 42.58 1f6y s LEU 74 CO -0.02 -1.25 0.27 -0.62 0.23 0.00 0.00 176.35 174.95 1f6y s ASP 75 N 3.55 5.17 -0.18 2.29 3.68 0.98 -0.27 116.67 131.88 1f6y s ASP 75 Ca 0.61 -2.34 -0.28 0.00 2.13 0.00 0.00 52.55 52.68 1f6y s ASP 75 Cb -0.17 -1.81 0.10 0.00 -1.45 0.00 0.00 42.92 39.58 1f6y s ASP 75 CO 0.28 -0.47 0.88 -0.55 0.13 0.00 0.00 175.17 175.44 1f6y s SER 76 N 1.32 -0.53 0.02 -0.34 0.15 -0.45 -4.28 113.70 109.59 1f6y s SER 76 Ca 0.11 0.79 0.25 0.00 0.70 0.00 0.00 55.95 57.80 1f6y s SER 76 Cb -0.22 0.72 0.46 0.00 -1.71 0.00 0.00 66.02 65.27 1f6y s SER 76 CO -0.04 -0.34 1.39 0.35 1.20 0.00 0.00 173.24 175.79 1f6y n THR 77 N 1.51 0.07 -2.57 6.45 -2.24 -1.26 -3.99 114.28 112.25 1f6y n THR 77 Ca -0.14 -0.06 -0.43 0.00 -2.27 0.00 0.00 64.05 61.16 1f6y n THR 77 Cb 0.57 0.17 -0.02 0.00 -2.10 0.00 0.00 70.33 68.95 1f6y n THR 77 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1f6y s ASN 78 N -3.25 6.57 0.22 3.42 3.04 -1.26 -4.90 114.94 118.77 1f6y s ASN 78 Ca 0.10 0.46 0.05 0.00 0.04 0.00 0.00 52.86 53.50 1f6y s ASN 78 Cb 0.17 -2.55 0.19 0.00 -1.54 0.00 0.00 41.25 37.51 1f6y s ASN 78 CO 0.71 -1.31 1.51 0.40 -3.04 0.00 0.00 177.10 175.37 1f6y h ILE 79 N 6.26 1.43 -0.45 -5.21 2.04 -1.99 -2.30 117.51 117.29 1f6y h ILE 79 Ca -0.24 -2.19 0.09 0.00 1.00 0.00 0.00 64.86 63.52 1f6y h ILE 79 Cb 1.07 2.16 -0.09 0.00 -0.74 0.00 0.00 36.82 39.21 1f6y h ILE 79 CO 1.13 0.64 -0.18 0.11 0.00 0.00 0.00 178.15 179.85 1f6y h LYS 80 N 0.13 -0.08 -0.10 2.37 1.57 -1.99 -1.38 116.57 117.08 1f6y h LYS 80 Ca -0.02 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1f6y h LYS 80 Cb 1.22 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 1f6y h LYS 80 CO 0.10 -0.05 0.06 0.00 -0.57 0.00 0.00 179.45 178.99 1f6y h ALA 81 N 1.27 0.13 -0.27 3.86 0.00 -1.76 -0.12 119.26 122.37 1f6y h ALA 81 Ca 0.22 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1f6y h ALA 81 Cb 0.42 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1f6y h ALA 81 CO -0.51 -0.34 -0.02 0.82 0.00 0.00 0.00 179.25 179.20 1f6y h ILE 82 N 0.09 0.78 -0.04 0.00 5.03 -1.29 0.46 117.51 122.53 1f6y h ILE 82 Ca 0.04 -0.02 0.03 0.00 -0.12 0.00 0.00 64.86 64.78 1f6y h ILE 82 Cb 0.05 0.72 -0.03 0.00 -3.03 0.00 0.00 36.82 34.52 1f6y h ILE 82 CO -0.01 0.01 -0.12 -0.08 -0.68 0.00 0.00 178.15 177.27 1f6y h GLU 83 N 0.06 -0.18 -0.30 2.37 4.81 -0.90 1.13 114.58 121.57 1f6y h GLU 83 Ca 0.13 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.43 1f6y h GLU 83 Cb 0.18 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 1f6y h GLU 83 CO -0.24 -0.12 -0.05 0.00 -0.73 0.00 0.00 179.01 177.87 1f6y h ALA 84 N 0.81 0.22 -0.60 2.92 0.00 -0.73 -1.59 119.26 120.30 1f6y h ALA 84 Ca 0.06 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1f6y h ALA 84 Cb 0.27 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1f6y h ALA 84 CO -0.15 -0.45 0.37 0.78 0.00 0.00 0.00 179.25 179.80 1f6y h GLY 85 N 0.03 0.85 0.12 0.00 0.00 -0.25 -1.72 103.07 102.10 1f6y h GLY 85 Ca 0.14 -0.28 0.20 0.00 0.00 0.00 0.00 47.33 47.39 1f6y h GLY 85 CO -0.29 0.25 0.62 1.41 0.00 0.00 0.00 176.54 178.53 1f6y h LEU 86 N 0.74 0.69 -0.83 3.11 4.07 0.20 -1.27 115.31 122.02 1f6y h LEU 86 Ca 0.24 0.09 -0.12 0.00 0.08 0.00 0.00 57.88 58.17 1f6y h LEU 86 Cb -0.01 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 1f6y h LEU 86 CO -0.09 0.23 -0.41 0.11 -1.08 0.00 0.00 178.44 177.20 1f6y h LYS 87 N 0.66 0.37 0.00 1.13 1.57 -0.39 -3.06 116.57 116.85 1f6y h LYS 87 Ca 0.57 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1f6y h LYS 87 Cb 1.02 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.33 1f6y h LYS 87 CO -0.34 0.72 -0.18 1.63 -0.57 0.00 0.00 179.45 180.71 1f6y n LYS 88 N -4.02 0.19 -2.31 3.15 4.76 -0.51 -4.88 118.16 114.54 1f6y n LYS 88 Ca -0.02 0.12 -0.42 0.00 -2.87 0.00 0.00 58.31 55.12 1f6y n LYS 88 Cb 0.50 -1.68 -0.03 0.00 -1.84 0.00 0.00 35.03 31.98 1f6y n LYS 88 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1f6y h LYS 90 N 7.95 0.00 -5.00 0.00 3.64 -1.90 -3.46 116.57 117.80 1f6y h LYS 90 Ca -0.35 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.49 1f6y h LYS 90 Cb 1.16 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.85 1f6y h LYS 90 CO 0.91 0.34 -0.50 -0.80 -2.27 0.00 0.00 179.45 177.13 1f6y s ASN 91 N -6.42 2.54 0.36 4.20 0.02 -1.26 -5.12 114.94 109.25 1f6y s ASN 91 Ca -0.00 -1.71 -0.25 0.00 -1.02 0.00 0.00 52.86 49.87 1f6y s ASN 91 Cb 0.11 0.55 -0.13 0.00 0.02 0.00 0.00 41.25 41.80 1f6y s ASN 91 CO 0.67 -0.98 0.83 -2.11 0.02 0.00 0.00 177.10 175.53 1f6y n ARG 92 N -0.85 1.00 -4.41 -0.60 1.85 -1.26 -4.88 116.66 107.50 1f6y n ARG 92 Ca -0.03 0.36 -0.20 0.00 -1.00 0.00 0.00 57.85 56.97 1f6y n ARG 92 Cb 0.64 -1.72 -0.10 0.00 -1.05 0.00 0.00 32.46 30.22 1f6y n ARG 92 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1f6y s ALA 93 N -1.24 2.22 0.08 2.89 0.00 -1.26 -3.96 121.76 120.50 1f6y s ALA 93 Ca 0.62 -1.94 0.07 0.00 0.00 0.00 0.00 51.96 50.71 1f6y s ALA 93 Cb -0.65 0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 1f6y s ALA 93 CO 0.58 -0.21 -0.14 -1.64 0.00 0.00 0.00 175.76 174.35 1f6y s MET 94 N -3.83 2.04 -0.20 0.00 1.00 0.29 -1.09 119.30 117.51 1f6y s MET 94 Ca 0.32 -1.04 -0.05 0.00 0.00 0.00 0.00 55.69 54.93 1f6y s MET 94 Cb 0.06 -2.23 -0.02 0.00 0.00 0.00 0.00 34.83 32.64 1f6y s MET 94 CO 0.13 0.51 -0.02 0.42 0.00 0.00 0.00 175.02 176.06 1f6y s ILE 95 N -1.10 3.83 -0.38 2.53 1.01 -0.63 -0.52 121.20 125.93 1f6y s ILE 95 Ca 0.18 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.49 1f6y s ILE 95 Cb -0.11 -2.72 0.12 0.00 0.01 0.00 0.00 42.46 39.76 1f6y s ILE 95 CO 0.10 0.44 0.17 0.21 0.00 0.00 0.00 174.94 175.85 1f6y s ASN 96 N 0.97 3.94 0.24 3.58 2.47 0.63 -1.37 114.94 125.40 1f6y s ASN 96 Ca 0.01 -2.22 -0.10 0.00 0.42 0.00 0.00 52.86 50.96 1f6y s ASN 96 Cb -0.14 -1.06 0.04 0.00 -1.45 0.00 0.00 41.25 38.64 1f6y s ASN 96 CO 0.01 -0.33 0.54 -1.54 -3.72 0.00 0.00 177.10 172.06 1f6y n SER 97 N 4.09 -1.47 -4.69 -4.21 3.41 -1.26 -1.34 113.62 108.15 1f6y n SER 97 Ca 0.04 -1.99 -0.27 0.00 -0.26 0.00 0.00 58.87 56.39 1f6y n SER 97 Cb 0.38 2.44 -0.07 0.00 -0.26 0.00 0.00 64.21 66.70 1f6y n SER 97 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1f6y s THR 98 N -2.39 3.87 0.00 6.66 -1.32 -0.66 -4.92 115.64 116.89 1f6y s THR 98 Ca 0.11 -1.33 0.00 0.00 -1.21 0.00 0.00 61.69 59.27 1f6y s THR 98 Cb -0.03 -2.94 0.00 0.00 -1.51 0.00 0.00 72.50 68.02 1f6y s THR 98 CO 0.07 -0.09 0.00 -0.46 -2.21 0.00 0.00 174.62 171.94 1f6y n ASN 99 N -0.08 0.74 -0.41 8.08 0.23 -1.26 -1.19 115.26 121.36 1f6y n ASN 99 Ca -0.10 -0.23 0.13 0.00 -0.53 0.00 0.00 54.58 53.85 1f6y n ASN 99 Cb 0.55 0.00 0.34 0.00 -2.08 0.00 0.00 39.78 38.59 1f6y n ASN 99 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1f6y n ALA 100 N -3.00 2.95 -1.65 -2.53 0.00 0.15 -4.42 120.51 112.01 1f6y n ALA 100 Ca 0.00 -0.48 -0.45 0.00 0.00 0.00 0.00 53.44 52.51 1f6y n ALA 100 Cb 0.00 -1.06 -0.04 0.00 0.00 0.00 0.00 19.45 18.35 1f6y n ALA 100 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1f6y n GLU 101 N -0.14 2.40 -0.32 0.00 -0.58 -1.26 -4.84 120.64 115.90 1f6y n GLU 101 Ca 0.14 0.85 0.20 0.00 -0.42 0.00 0.00 57.16 57.93 1f6y n GLU 101 Cb 0.39 -2.87 0.40 0.00 -0.57 0.00 0.00 31.44 28.79 1f6y n GLU 101 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1f6y h ARG 102 N 10.75 0.31 -0.64 3.49 9.65 -1.98 0.49 114.38 136.45 1f6y h ARG 102 Ca -0.47 -0.02 0.02 0.00 -1.10 0.00 0.00 59.98 58.41 1f6y h ARG 102 Cb 1.26 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 29.73 1f6y h ARG 102 CO 0.95 0.20 0.42 1.49 2.80 0.00 0.00 179.97 185.84 1f6y h GLU 103 N 0.32 0.78 -0.01 0.20 4.81 -1.97 -1.54 114.58 117.17 1f6y h GLU 103 Ca 0.66 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.75 1f6y h GLU 103 Cb 1.44 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 30.65 1f6y h GLU 103 CO -0.61 0.52 -0.37 0.87 -0.73 0.00 0.00 179.01 178.69 1f6y h LYS 104 N 0.80 0.26 -0.25 1.92 1.79 -0.42 -3.33 116.57 117.34 1f6y h LYS 104 Ca 0.25 -0.27 0.06 0.00 -2.18 0.00 0.00 60.65 58.50 1f6y h LYS 104 Cb 0.00 0.08 -0.06 0.00 -1.58 0.00 0.00 32.23 30.67 1f6y h LYS 104 CO -0.06 0.98 -0.14 0.28 -1.08 0.00 0.00 179.45 179.43 1f6y h VAL 105 N -0.35 0.58 0.00 0.50 2.07 -0.77 0.88 116.25 119.16 1f6y h VAL 105 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1f6y h VAL 105 Cb 1.10 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1f6y h VAL 105 CO 0.07 0.00 0.00 1.05 0.02 0.00 0.00 177.57 178.71 1f6y h GLU 106 N -0.12 0.00 0.00 1.57 4.11 -1.43 -1.70 114.58 117.01 1f6y h GLU 106 Ca 0.14 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.40 1f6y h GLU 106 Cb 0.32 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1f6y h GLU 106 CO -0.33 0.00 -1.18 1.63 0.07 0.00 0.00 179.01 179.20 1f6y n LYS 107 N -3.01 0.53 0.07 1.06 5.02 -0.66 -4.36 118.16 116.81 1f6y n LYS 107 Ca -0.01 0.48 -0.12 0.00 -2.02 0.00 0.00 58.31 56.64 1f6y n LYS 107 Cb 0.19 -1.66 -0.13 0.00 -0.02 0.00 0.00 35.03 33.41 1f6y n LYS 107 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1f6y h LEU 108 N -1.00 0.22 0.14 -0.35 3.38 -0.79 -1.90 115.31 115.00 1f6y h LEU 108 Ca -0.25 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.45 1f6y h LEU 108 Cb 1.06 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1f6y h LEU 108 CO -0.15 1.20 -0.07 -0.26 0.09 0.00 0.00 178.44 179.25 1f6y h PHE 109 N 0.04 -0.17 -0.33 1.13 -1.00 -1.50 0.09 116.94 115.19 1f6y h PHE 109 Ca -0.12 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.64 1f6y h PHE 109 Cb 1.90 0.06 -0.01 0.00 3.61 0.00 0.00 35.95 41.51 1f6y h PHE 109 CO 0.03 -0.07 0.13 -1.35 -1.61 0.00 0.00 178.31 175.44 1f6y h PRO 110 N -0.23 0.50 -0.77 1.51 0.11 -1.74 -2.42 132.00 128.97 1f6y h PRO 110 Ca -0.02 -0.09 0.15 0.00 0.11 0.00 0.00 66.00 66.15 1f6y h PRO 110 Cb 0.18 -0.08 -0.15 0.00 0.11 0.00 0.00 31.00 31.06 1f6y h PRO 110 CO 0.03 0.50 -0.20 1.25 -0.21 0.00 0.00 178.00 179.37 1f6y h LEU 111 N 0.39 -0.74 -1.04 2.35 6.46 -1.23 0.34 115.31 121.83 1f6y h LEU 111 Ca 0.11 0.23 -0.02 0.00 -0.12 0.00 0.00 57.88 58.08 1f6y h LEU 111 Cb 0.18 0.49 -0.04 0.00 -0.73 0.00 0.00 40.66 40.56 1f6y h LEU 111 CO -0.01 -0.26 0.38 0.00 -0.62 0.00 0.00 178.44 177.93 1f6y h ALA 112 N 1.75 1.26 -0.41 1.25 0.00 -0.80 -2.57 119.26 119.73 1f6y h ALA 112 Ca 0.37 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 1f6y h ALA 112 Cb 0.57 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1f6y h ALA 112 CO -0.80 0.58 -0.20 0.28 0.00 0.00 0.00 179.25 179.12 1f6y h VAL 113 N 1.05 1.27 -0.75 0.00 2.07 0.01 -0.64 116.25 119.27 1f6y h VAL 113 Ca 0.26 -1.31 0.04 0.00 0.82 0.00 0.00 66.70 66.51 1f6y h VAL 113 Cb 0.07 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1f6y h VAL 113 CO -0.04 0.44 0.49 -0.08 0.02 0.00 0.00 177.57 178.41 1f6y h GLU 114 N 0.71 0.87 -0.44 1.57 4.81 -0.27 -2.99 114.58 118.84 1f6y h GLU 114 Ca 0.10 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1f6y h GLU 114 Cb 0.71 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1f6y h GLU 114 CO 0.05 0.58 0.00 0.72 -0.73 0.00 0.00 179.01 179.63 1f6y n HIS 115 N -4.46 0.61 -3.09 0.92 8.25 -1.03 -4.95 115.22 111.48 1f6y n HIS 115 Ca 0.10 -0.51 -0.22 0.00 -0.26 0.00 0.00 57.72 56.83 1f6y n HIS 115 Cb 0.13 -0.03 0.02 0.00 1.12 0.00 0.00 29.99 31.23 1f6y n HIS 115 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1f6y n GLY 116 N 0.78 -0.51 3.91 -1.41 0.00 -0.41 -4.74 105.19 102.82 1f6y n GLY 116 Ca 0.15 0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 1f6y n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f6y s ALA 117 N -3.05 3.83 0.75 4.61 0.00 -0.38 -4.64 121.76 122.88 1f6y s ALA 117 Ca 0.31 -0.70 -0.13 0.00 0.00 0.00 0.00 51.96 51.44 1f6y s ALA 117 Cb -0.15 -2.04 0.05 0.00 0.00 0.00 0.00 23.12 20.97 1f6y s ALA 117 CO 0.38 0.58 1.12 0.00 0.00 0.00 0.00 175.76 177.84 1f6y s ALA 118 N -1.74 2.19 -0.06 0.00 0.00 -0.25 -4.70 121.76 117.20 1f6y s ALA 118 Ca 0.39 0.49 -0.01 0.00 0.00 0.00 0.00 51.96 52.84 1f6y s ALA 118 Cb -0.12 -3.34 0.03 0.00 0.00 0.00 0.00 23.12 19.69 1f6y s ALA 118 CO 0.27 -1.76 -0.00 -1.17 0.00 0.00 0.00 175.76 173.09 1f6y s LEU 119 N -5.56 0.73 -0.09 0.00 2.96 0.12 -1.61 118.68 115.24 1f6y s LEU 119 Ca 0.66 -0.08 -0.18 0.00 -0.22 0.00 0.00 54.13 54.31 1f6y s LEU 119 Cb -0.21 -0.41 -0.05 0.00 0.50 0.00 0.00 46.19 46.02 1f6y s LEU 119 CO 0.50 -0.17 0.48 -0.63 -1.32 0.00 0.00 176.35 175.22 1f6y s ILE 120 N 1.74 5.13 -0.16 6.68 1.01 -0.47 0.61 121.20 135.74 1f6y s ILE 120 Ca 0.01 0.98 0.00 0.00 0.00 0.00 0.00 60.65 61.64 1f6y s ILE 120 Cb -0.13 -3.82 0.03 0.00 0.01 0.00 0.00 42.46 38.55 1f6y s ILE 120 CO -0.04 0.37 -0.11 -0.83 0.00 0.00 0.00 174.94 174.33 1f6y s GLY 121 N 0.29 1.10 0.03 6.18 0.00 0.22 -1.65 107.32 113.50 1f6y s GLY 121 Ca 0.26 -0.93 -0.30 0.00 0.00 0.00 0.00 44.72 43.75 1f6y s GLY 121 CO 0.12 0.65 1.20 1.08 0.00 0.00 0.00 173.10 176.15 1f6y s LEU 122 N 1.51 4.35 -0.89 0.66 1.43 -0.34 0.52 118.68 125.92 1f6y s LEU 122 Ca 0.03 1.97 -0.17 0.00 -1.03 0.00 0.00 54.13 54.93 1f6y s LEU 122 Cb -0.14 -3.57 -0.11 0.00 0.03 0.00 0.00 46.19 42.40 1f6y s LEU 122 CO -0.09 -0.50 2.02 0.35 0.23 0.00 0.00 176.35 178.36 1f6y n THR 123 N 4.09 2.19 -3.51 5.49 -2.24 -0.54 -3.50 114.28 116.25 1f6y n THR 123 Ca 0.09 -1.73 -0.11 0.00 -2.27 0.00 0.00 64.05 60.04 1f6y n THR 123 Cb 0.46 -2.31 -0.03 0.00 -2.10 0.00 0.00 70.33 66.35 1f6y n THR 123 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1f6y s MET 124 N 4.37 0.86 0.00 -0.78 0.23 -1.26 -4.56 119.30 118.17 1f6y s MET 124 Ca 0.52 -0.14 0.00 0.00 -1.03 0.00 0.00 55.69 55.04 1f6y s MET 124 Cb 0.13 0.40 0.00 0.00 -1.53 0.00 0.00 34.83 33.84 1f6y s MET 124 CO 0.06 -0.34 0.00 0.27 -2.03 0.00 0.00 175.02 172.98 1f6y n ASN 125 N 0.13 0.10 0.02 -1.18 0.23 -1.26 0.32 115.26 113.61 1f6y n ASN 125 Ca -0.12 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.06 1f6y n ASN 125 Cb 0.61 0.00 0.39 0.00 -2.08 0.00 0.00 39.78 38.69 1f6y n ASN 125 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1f6y n LYS 126 N 0.00 0.06 0.10 -3.83 2.85 -1.26 -3.72 118.16 112.35 1f6y n LYS 126 Ca 0.00 0.03 0.04 0.00 -1.05 0.00 0.00 58.31 57.33 1f6y n LYS 126 Cb 0.00 -1.55 0.45 0.00 -0.65 0.00 0.00 35.03 33.28 1f6y n LYS 126 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 1f6y h THR 127 N 0.00 1.11 0.00 0.58 1.35 -2.04 -3.48 112.91 110.43 1f6y h THR 127 Ca 0.00 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1f6y h THR 127 Cb 0.55 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 1f6y h THR 127 CO 0.00 0.14 0.00 0.61 -0.25 0.00 0.00 175.52 176.02 1f6y n GLY 128 N -1.24 3.21 3.67 5.82 0.00 -1.24 -5.07 105.19 110.34 1f6y n GLY 128 Ca 0.00 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 1f6y n GLY 128 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1f6y s ILE 129 N -2.11 3.67 0.72 -0.61 1.01 -1.26 -4.51 121.20 118.11 1f6y s ILE 129 Ca 0.00 0.95 -0.15 0.00 0.00 0.00 0.00 60.65 61.45 1f6y s ILE 129 Cb 0.00 -3.61 0.03 0.00 0.01 0.00 0.00 42.46 38.89 1f6y s ILE 129 CO 0.00 -0.04 1.20 -2.84 0.00 0.00 0.00 174.94 173.26 1f6y s PRO 130 N 3.18 2.24 0.00 2.79 0.02 -1.26 -4.94 135.00 137.03 1f6y s PRO 130 Ca 0.67 1.73 0.25 0.00 0.02 0.00 0.00 61.00 63.68 1f6y s PRO 130 Cb -0.32 -1.85 0.58 0.00 0.02 0.00 0.00 34.50 32.94 1f6y s PRO 130 CO 0.26 -1.75 1.46 0.36 -0.33 0.00 0.00 177.00 177.01 1f6y n LYS 131 N -2.63 0.14 -4.12 5.54 -0.00 -1.26 -4.95 118.16 110.89 1f6y n LYS 131 Ca 0.13 -0.08 -0.13 0.00 -0.00 0.00 0.00 58.31 58.24 1f6y n LYS 131 Cb 0.50 -1.50 -0.07 0.00 -0.00 0.00 0.00 35.03 33.97 1f6y n LYS 131 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1f6y s ASP 132 N -2.91 0.42 0.38 -5.58 1.47 -1.26 -4.92 116.67 104.26 1f6y s ASP 132 Ca 0.13 -1.31 0.22 0.00 1.18 0.00 0.00 52.55 52.77 1f6y s ASP 132 Cb 0.18 0.53 0.24 0.00 -0.34 0.00 0.00 42.92 43.53 1f6y s ASP 132 CO 0.66 -1.07 1.49 0.77 0.68 0.00 0.00 175.17 177.71 1f6y h SER 133 N 2.33 0.00 0.06 2.11 4.64 -1.93 -2.38 113.55 118.38 1f6y h SER 133 Ca -0.30 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1f6y h SER 133 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1f6y h SER 133 CO 0.42 0.08 -0.03 0.44 -0.87 0.00 0.00 176.83 176.88 1f6y h ASP 134 N 0.00 -0.06 -0.66 4.97 5.19 -1.96 0.51 116.42 124.40 1f6y h ASP 134 Ca -0.00 -0.52 -0.02 0.00 -0.62 0.00 0.00 57.03 55.86 1f6y h ASP 134 Cb 1.06 0.02 -0.03 0.00 0.18 0.00 0.00 39.33 40.56 1f6y h ASP 134 CO 0.01 0.52 0.34 0.74 -3.12 0.00 0.00 179.24 177.73 1f6y h THR 135 N -0.68 1.22 0.69 0.35 2.02 -1.99 -0.22 112.91 114.29 1f6y h THR 135 Ca -0.01 -0.60 -0.03 0.00 0.77 0.00 0.00 66.41 66.54 1f6y h THR 135 Cb 0.58 0.33 0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1f6y h THR 135 CO 0.01 0.25 -0.33 0.03 0.37 0.00 0.00 175.52 175.85 1f6y h ARG 136 N 0.97 -0.90 -0.94 6.66 3.08 -1.46 -2.67 114.38 119.12 1f6y h ARG 136 Ca 0.24 0.06 0.16 0.00 0.07 0.00 0.00 59.98 60.51 1f6y h ARG 136 Cb 0.09 0.20 -0.16 0.00 0.08 0.00 0.00 29.97 30.18 1f6y h ARG 136 CO -0.03 -0.58 -0.32 1.28 -1.07 0.00 0.00 179.97 179.24 1f6y n LEU 137 N -5.47 -0.51 0.25 3.04 4.77 0.17 -0.17 117.00 119.08 1f6y n LEU 137 Ca -0.14 1.63 0.10 0.00 -0.03 0.00 0.00 56.01 57.58 1f6y n LEU 137 Cb 0.38 -0.42 0.64 0.00 -2.33 0.00 0.00 43.42 41.70 1f6y n LEU 137 CO 0.37 -1.50 0.95 0.00 -1.33 0.00 0.00 177.39 175.87 1f6y h ALA 138 N 1.52 1.44 0.04 -1.18 0.00 -0.90 -1.12 119.26 119.06 1f6y h ALA 138 Ca 0.37 -0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.93 1f6y h ALA 138 Cb 0.61 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1f6y h ALA 138 CO -0.95 0.18 -1.05 0.74 0.00 0.00 0.00 179.25 178.18 1f6y h PHE 139 N 0.00 0.18 -0.02 0.00 0.04 -0.21 -3.16 116.94 113.76 1f6y h PHE 139 Ca -0.00 -0.12 -0.12 0.00 2.80 0.00 0.00 57.97 60.52 1f6y h PHE 139 Cb 0.33 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.45 1f6y h PHE 139 CO 0.00 1.07 -0.57 0.00 -0.60 0.00 0.00 178.31 178.21 1f6y h ALA 140 N 0.88 1.02 -0.49 2.45 0.00 -0.04 -2.44 119.26 120.64 1f6y h ALA 140 Ca -0.05 -0.52 -0.10 0.00 0.00 0.00 0.00 54.91 54.24 1f6y h ALA 140 Cb 1.78 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.46 1f6y h ALA 140 CO 0.15 0.71 -0.10 0.52 0.00 0.00 0.00 179.25 180.53 1f6y h MET 141 N 0.05 0.93 -0.55 0.00 2.86 -1.33 -1.13 114.93 115.77 1f6y h MET 141 Ca -0.00 -0.35 -0.02 0.00 -2.06 0.00 0.00 59.70 57.26 1f6y h MET 141 Cb 1.02 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.60 1f6y h MET 141 CO 0.08 1.01 0.25 0.93 1.06 0.00 0.00 176.91 180.23 1f6y h GLU 142 N 0.78 0.80 -0.43 1.72 5.08 -1.49 0.99 114.58 122.04 1f6y h GLU 142 Ca 0.13 -0.13 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 1f6y h GLU 142 Cb 0.65 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.69 1f6y h GLU 142 CO 0.05 0.68 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.65 1f6y h LEU 143 N 0.74 -0.21 -0.43 1.33 4.07 -1.30 0.31 115.31 119.82 1f6y h LEU 143 Ca 0.19 0.10 -0.01 0.00 0.08 0.00 0.00 57.88 58.24 1f6y h LEU 143 Cb 0.15 0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.06 1f6y h LEU 143 CO -0.02 -0.07 0.22 0.58 -1.08 0.00 0.00 178.44 178.08 1f6y h VAL 144 N 0.09 1.17 -0.62 1.22 2.07 -0.81 -1.73 116.25 117.64 1f6y h VAL 144 Ca 0.21 -0.45 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 1f6y h VAL 144 Cb 0.31 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1f6y h VAL 144 CO -0.36 0.18 0.15 0.00 0.02 0.00 0.00 177.57 177.55 1f6y h ALA 145 N 1.07 1.09 -0.95 1.67 0.00 -0.29 -2.02 119.26 119.83 1f6y h ALA 145 Ca 0.15 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1f6y h ALA 145 Cb 0.08 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 1f6y h ALA 145 CO -0.02 0.60 0.62 0.00 0.00 0.00 0.00 179.25 180.45 1f6y h ALA 146 N 1.23 1.42 -0.22 0.00 0.00 -0.10 -1.40 119.26 120.19 1f6y h ALA 146 Ca 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1f6y h ALA 146 Cb 0.33 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1f6y h ALA 146 CO 0.00 0.47 0.09 0.00 0.00 0.00 0.00 179.25 179.81 1f6y h ALA 147 N 1.46 0.28 -0.69 0.00 0.00 -0.59 -2.23 119.26 117.50 1f6y h ALA 147 Ca 0.39 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 1f6y h ALA 147 Cb 0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1f6y h ALA 147 CO -0.13 -0.13 0.22 -0.44 0.00 0.00 0.00 179.25 178.77 1f6y h ASP 148 N 0.21 1.00 -0.12 0.00 3.45 -1.19 0.12 116.42 119.89 1f6y h ASP 148 Ca 0.07 -0.20 0.03 0.00 0.43 0.00 0.00 57.03 57.36 1f6y h ASP 148 Cb 0.16 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 38.64 1f6y h ASP 148 CO -0.01 0.93 -0.07 -0.08 -1.57 0.00 0.00 179.24 178.44 1f6y h GLU 149 N 1.01 -0.07 -0.38 3.56 4.81 -1.11 -2.88 114.58 119.51 1f6y h GLU 149 Ca 0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1f6y h GLU 149 Cb 0.29 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1f6y h GLU 149 CO -0.01 -0.05 0.00 1.19 -0.73 0.00 0.00 179.01 179.41 1f6y n PHE 150 N -5.21 0.50 -2.38 0.92 3.01 -0.85 -4.93 117.46 108.53 1f6y n PHE 150 Ca -0.04 -0.25 -0.12 0.00 1.01 0.00 0.00 57.45 58.06 1f6y n PHE 150 Cb 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.61 1f6y n PHE 150 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1f6y n GLY 151 N 1.33 -0.05 3.66 1.37 0.00 -0.08 -4.88 105.19 106.54 1f6y n GLY 151 Ca 0.18 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 1f6y n GLY 151 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1f6y s LEU 152 N -3.45 4.14 0.35 0.99 2.96 0.22 -5.02 118.68 118.88 1f6y s LEU 152 Ca 0.06 1.00 -0.28 0.00 -0.22 0.00 0.00 54.13 54.69 1f6y s LEU 152 Cb -0.03 -3.07 -0.12 0.00 0.50 0.00 0.00 46.19 43.47 1f6y s LEU 152 CO 0.07 -0.36 1.29 -2.65 -1.32 0.00 0.00 176.35 173.39 1f6y n PRO 153 N 5.28 2.12 0.13 0.98 -0.02 -1.26 -4.47 135.00 137.75 1f6y n PRO 153 Ca 0.02 0.75 0.01 0.00 -2.02 0.00 0.00 63.50 62.25 1f6y n PRO 153 Cb 0.49 -2.35 0.32 0.00 -0.02 0.00 0.00 33.50 31.95 1f6y n PRO 153 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1f6y h MET 154 N 2.50 0.18 0.00 -0.52 4.05 -1.90 -0.73 114.93 118.52 1f6y h MET 154 Ca -0.46 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 58.89 1f6y h MET 154 Cb 1.28 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.07 1f6y h MET 154 CO 0.62 0.46 0.00 -0.85 0.23 0.00 0.00 176.91 177.37 1f6y n GLU 155 N -4.15 0.29 -0.15 0.39 0.00 -1.26 -1.99 120.64 113.77 1f6y n GLU 155 Ca -0.01 0.10 0.09 0.00 0.00 0.00 0.00 57.16 57.34 1f6y n GLU 155 Cb 0.37 -1.50 0.17 0.00 0.00 0.00 0.00 31.44 30.48 1f6y n GLU 155 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1f6y n ASP 156 N -1.26 3.02 -4.52 -1.84 10.43 -0.28 -4.69 116.55 117.42 1f6y n ASP 156 Ca 0.09 -1.88 -0.36 0.00 2.57 0.00 0.00 54.79 55.21 1f6y n ASP 156 Cb 0.13 -0.20 -0.12 0.00 1.84 0.00 0.00 41.12 42.78 1f6y n ASP 156 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1f6y s LEU 157 N -1.23 3.65 -0.35 0.64 2.96 -0.84 -0.70 118.68 122.80 1f6y s LEU 157 Ca 0.30 -0.10 -0.08 0.00 -0.22 0.00 0.00 54.13 54.03 1f6y s LEU 157 Cb 0.17 -1.97 0.03 0.00 0.50 0.00 0.00 46.19 44.92 1f6y s LEU 157 CO 0.24 0.01 0.14 -0.31 -1.32 0.00 0.00 176.35 175.11 1f6y s TYR 158 N 1.35 3.24 -0.12 5.38 1.51 0.20 -0.77 117.35 128.14 1f6y s TYR 158 Ca 0.06 -1.25 -0.18 0.00 -1.01 0.00 0.00 57.07 54.68 1f6y s TYR 158 Cb -0.15 -2.33 -0.04 0.00 -0.11 0.00 0.00 41.96 39.34 1f6y s TYR 158 CO 0.05 -0.69 0.49 0.42 -1.11 0.00 0.00 175.55 174.70 1f6y s ILE 159 N 1.46 5.17 -0.40 2.71 1.01 -0.27 0.71 121.20 131.60 1f6y s ILE 159 Ca -0.00 0.98 -0.05 0.00 0.00 0.00 0.00 60.65 61.57 1f6y s ILE 159 Cb -0.19 -3.83 0.09 0.00 0.01 0.00 0.00 42.46 38.54 1f6y s ILE 159 CO 0.04 0.31 0.20 -0.62 0.00 0.00 0.00 174.94 174.87 1f6y s ASP 160 N 0.68 5.36 0.00 3.58 -1.08 0.18 -1.63 116.67 123.77 1f6y s ASP 160 Ca 0.26 -1.71 0.19 0.00 -0.52 0.00 0.00 52.55 50.77 1f6y s ASP 160 Cb -0.15 -1.88 1.13 0.00 -1.46 0.00 0.00 42.92 40.56 1f6y s ASP 160 CO 0.11 -0.51 1.64 -0.81 0.52 0.00 0.00 175.17 176.12 1f6y n PRO 161 N 4.74 0.86 -2.10 4.34 -0.04 -1.26 -1.47 135.00 140.06 1f6y n PRO 161 Ca -0.07 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.37 1f6y n PRO 161 Cb 0.42 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 1f6y n PRO 161 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1f6y n LEU 162 N -0.84 -4.81 -4.82 1.53 4.77 -1.26 -4.89 117.00 106.68 1f6y n LEU 162 Ca 0.14 0.45 -0.34 0.00 -0.03 0.00 0.00 56.01 56.24 1f6y n LEU 162 Cb 0.07 -2.12 -0.07 0.00 -2.33 0.00 0.00 43.42 38.97 1f6y n LEU 162 CO 0.11 -1.30 0.60 -0.51 -1.33 0.00 0.00 177.39 174.96 1f6y s ILE 163 N -1.29 4.42 0.26 -0.08 1.10 -1.26 -4.99 121.20 119.37 1f6y s ILE 163 Ca 0.06 1.43 0.10 0.00 -0.51 0.00 0.00 60.65 61.73 1f6y s ILE 163 Cb -0.02 -3.66 -0.05 0.00 0.15 0.00 0.00 42.46 38.88 1f6y s ILE 163 CO 0.36 -0.22 -0.17 -0.76 -2.11 0.00 0.00 174.94 172.05 1f6y s LEU 164 N -2.96 2.58 0.42 8.50 1.43 -1.26 -4.64 118.68 122.75 1f6y s LEU 164 Ca 0.58 -1.04 -0.26 0.00 -1.03 0.00 0.00 54.13 52.39 1f6y s LEU 164 Cb -0.11 -0.93 -0.10 0.00 0.03 0.00 0.00 46.19 45.09 1f6y s LEU 164 CO 0.15 -0.06 1.32 -2.65 0.23 0.00 0.00 176.35 175.34 1f6y n PRO 165 N -0.55 2.03 0.25 1.29 -0.02 -1.14 -4.39 135.00 132.48 1f6y n PRO 165 Ca -0.06 0.72 0.15 0.00 -2.02 0.00 0.00 63.50 62.29 1f6y n PRO 165 Cb 0.60 -2.45 0.46 0.00 -0.02 0.00 0.00 33.50 32.09 1f6y n PRO 165 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1f6y h ALA 166 N 2.17 1.00 0.04 3.55 0.00 -1.40 -1.08 119.26 123.53 1f6y h ALA 166 Ca -0.49 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.11 1f6y h ALA 166 Cb 1.29 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 1f6y h ALA 166 CO 0.60 0.02 -1.68 -2.95 0.00 0.00 0.00 179.25 175.25 1f6y h ASN 167 N 0.00 0.13 0.00 0.00 -1.07 -1.90 -3.25 115.58 109.48 1f6y h ASN 167 Ca -0.00 -0.25 0.00 0.00 0.07 0.00 0.00 56.30 56.12 1f6y h ASN 167 Cb 0.73 -0.04 0.00 0.00 -2.07 0.00 0.00 38.32 36.94 1f6y h ASN 167 CO 0.00 1.22 -1.27 0.55 0.07 0.00 0.00 177.43 178.00 1f6y n VAL 168 N -3.21 0.00 -2.67 6.14 3.14 -1.23 -4.66 118.33 115.84 1f6y n VAL 168 Ca -0.18 -0.25 -0.09 0.00 -2.96 0.00 0.00 64.34 60.86 1f6y n VAL 168 Cb 1.04 0.42 0.03 0.00 -1.06 0.00 0.00 33.84 34.27 1f6y n VAL 168 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1f6y n ALA 169 N -1.74 3.31 0.24 1.55 0.00 -0.41 -4.94 120.51 118.52 1f6y n ALA 169 Ca -0.01 -3.04 0.13 0.00 0.00 0.00 0.00 53.44 50.51 1f6y n ALA 169 Cb 0.26 -0.94 0.76 0.00 0.00 0.00 0.00 19.45 19.52 1f6y n ALA 169 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1f6y h GLN 170 N 2.95 0.00 0.00 0.00 4.15 -1.65 -1.83 115.11 118.73 1f6y h GLN 170 Ca -0.11 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.31 1f6y h GLN 170 Cb 1.19 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.88 1f6y h GLN 170 CO 0.47 0.00 0.00 -0.40 -1.93 0.00 0.00 178.83 176.97 1f6y n ASP 171 N -4.21 0.73 0.08 -0.69 5.75 -1.26 -3.10 116.55 113.84 1f6y n ASP 171 Ca -0.01 0.59 -0.07 0.00 -0.01 0.00 0.00 54.79 55.28 1f6y n ASP 171 Cb 0.17 -0.78 0.04 0.00 -1.03 0.00 0.00 41.12 39.53 1f6y n ASP 171 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 1f6y h HIS 172 N 0.00 0.31 0.13 2.11 3.86 -1.68 -3.33 115.15 116.55 1f6y h HIS 172 Ca 0.00 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 1f6y h HIS 172 Cb 0.65 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 29.07 1f6y h HIS 172 CO 0.00 0.90 -0.11 0.00 0.86 0.00 0.00 177.93 179.58 1f6y h ALA 173 N 1.05 -0.23 -0.20 2.45 0.00 -1.69 0.15 119.26 120.79 1f6y h ALA 173 Ca -0.03 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1f6y h ALA 173 Cb 1.35 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 1f6y h ALA 173 CO 0.12 -0.64 -0.10 -1.00 0.00 0.00 0.00 179.25 177.63 1f6y h PRO 174 N -0.26 0.32 -0.23 0.00 0.13 -1.79 -1.15 132.00 129.01 1f6y h PRO 174 Ca -0.00 -0.07 -0.03 0.00 -0.87 0.00 0.00 66.00 65.03 1f6y h PRO 174 Cb 0.24 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.31 1f6y h PRO 174 CO -0.02 0.42 0.01 0.93 -0.23 0.00 0.00 178.00 179.12 1f6y h GLU 175 N 0.30 0.34 -0.03 0.86 4.39 -1.26 -0.41 114.58 118.77 1f6y h GLU 175 Ca 0.06 -0.05 -0.23 0.00 0.34 0.00 0.00 59.36 59.48 1f6y h GLU 175 Cb 0.36 -0.06 0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1f6y h GLU 175 CO 0.02 0.36 -0.86 0.28 -1.16 0.00 0.00 179.01 177.65 1f6y h VAL 176 N 0.34 1.32 -0.99 3.13 2.07 -0.09 -2.59 116.25 119.43 1f6y h VAL 176 Ca 0.08 -2.13 0.12 0.00 0.82 0.00 0.00 66.70 65.59 1f6y h VAL 176 Cb 0.21 2.34 -0.09 0.00 -1.52 0.00 0.00 31.29 32.24 1f6y h VAL 176 CO 0.00 0.65 0.62 -0.07 0.02 0.00 0.00 177.57 178.80 1f6y h LEU 177 N 0.29 0.91 -0.42 2.57 3.38 -0.79 -1.73 115.31 119.53 1f6y h LEU 177 Ca -0.10 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 1f6y h LEU 177 Cb 1.52 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 1f6y h LEU 177 CO 0.17 0.47 -0.05 0.11 0.09 0.00 0.00 178.44 179.24 1f6y h LYS 178 N 0.97 0.77 -0.44 1.13 1.57 -1.03 -2.39 116.57 117.16 1f6y h LYS 178 Ca 0.50 -0.27 -0.07 0.00 -1.87 0.00 0.00 60.65 58.93 1f6y h LYS 178 Cb 0.51 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1f6y h LYS 178 CO -0.27 0.88 -0.00 1.15 -0.57 0.00 0.00 179.45 180.63 1f6y h THR 179 N 0.60 1.26 -0.59 -0.16 2.02 -1.11 -1.51 112.91 113.42 1f6y h THR 179 Ca 0.11 -1.05 0.09 0.00 0.77 0.00 0.00 66.41 66.33 1f6y h THR 179 Cb 0.56 1.06 -0.07 0.00 -1.74 0.00 0.00 68.15 67.96 1f6y h THR 179 CO 0.03 0.36 0.20 -0.07 0.37 0.00 0.00 175.52 176.41 1f6y h LEU 180 N 0.63 0.18 -0.63 2.58 3.38 -1.24 0.16 115.31 120.37 1f6y h LEU 180 Ca 0.13 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1f6y h LEU 180 Cb 0.50 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1f6y h LEU 180 CO 0.02 0.11 0.27 -0.61 0.09 0.00 0.00 178.44 178.32 1f6y h GLN 181 N 0.37 0.93 -0.76 1.13 5.75 -1.18 0.33 115.11 121.69 1f6y h GLN 181 Ca 0.30 -0.16 -0.00 0.00 -0.15 0.00 0.00 58.65 58.63 1f6y h GLN 181 Cb 0.37 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 28.73 1f6y h GLN 181 CO -0.31 0.77 0.47 0.37 -2.65 0.00 0.00 178.83 177.48 1f6y h GLN 182 N 0.87 1.02 -0.34 1.69 4.15 -0.53 -1.43 115.11 120.54 1f6y h GLN 182 Ca 0.21 -0.09 -0.16 0.00 0.77 0.00 0.00 58.65 59.39 1f6y h GLN 182 Cb 0.18 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 1f6y h GLN 182 CO -0.02 0.72 -0.42 0.82 -1.93 0.00 0.00 178.83 178.00 1f6y h ILE 183 N 1.04 1.28 -0.91 2.39 2.04 -0.24 -2.91 117.51 120.19 1f6y h ILE 183 Ca 0.27 -1.59 0.11 0.00 1.00 0.00 0.00 64.86 64.65 1f6y h ILE 183 Cb -0.05 1.46 -0.07 0.00 -0.74 0.00 0.00 36.82 37.42 1f6y h ILE 183 CO -0.05 0.52 0.59 0.50 0.00 0.00 0.00 178.15 179.71 1f6y h LYS 184 N 0.68 0.85 -0.88 2.37 3.64 -0.01 -1.92 116.57 121.29 1f6y h LYS 184 Ca 0.05 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 1f6y h LYS 184 Cb 0.99 -0.19 -0.06 0.00 -0.41 0.00 0.00 32.23 32.56 1f6y h LYS 184 CO 0.10 0.56 0.14 -1.33 -2.27 0.00 0.00 179.45 176.64 1f6y n MET 185 N -4.55 2.34 -2.78 1.90 2.81 -0.57 -4.89 117.12 111.38 1f6y n MET 185 Ca 0.16 -1.49 -0.34 0.00 -1.81 0.00 0.00 57.70 54.22 1f6y n MET 185 Cb 0.34 -1.74 -0.07 0.00 -0.71 0.00 0.00 33.22 31.04 1f6y n MET 185 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1f6y s LEU 186 N -1.44 4.00 0.57 4.03 1.43 -0.72 -5.03 118.68 121.52 1f6y s LEU 186 Ca 0.27 1.74 -0.19 0.00 -1.03 0.00 0.00 54.13 54.92 1f6y s LEU 186 Cb 0.21 -4.45 -0.04 0.00 0.03 0.00 0.00 46.19 41.94 1f6y s LEU 186 CO 0.07 -0.35 1.14 0.00 0.23 0.00 0.00 176.35 177.44 1f6y s ALA 187 N -2.07 2.62 0.40 4.21 0.00 -1.26 -4.59 121.76 121.07 1f6y s ALA 187 Ca 0.61 0.82 -0.27 0.00 0.00 0.00 0.00 51.96 53.12 1f6y s ALA 187 Cb -0.11 -3.37 -0.09 0.00 0.00 0.00 0.00 23.12 19.54 1f6y s ALA 187 CO 0.16 -0.95 1.38 0.34 0.00 0.00 0.00 175.76 176.68 1f6y s ASP 188 N -1.87 6.28 -0.01 0.00 2.15 -1.26 -3.11 116.67 118.85 1f6y s ASP 188 Ca 0.73 2.82 -0.25 0.00 0.43 0.00 0.00 52.55 56.27 1f6y s ASP 188 Cb -0.25 -2.65 -0.04 0.00 -0.30 0.00 0.00 42.92 39.68 1f6y s ASP 188 CO 0.31 -0.89 0.79 -2.16 -0.17 0.00 0.00 175.17 173.04 1f6y s PRO 189 N -2.19 4.49 0.35 4.34 0.04 -1.26 -5.15 135.00 135.62 1f6y s PRO 189 Ca 0.56 1.07 -0.11 0.00 0.04 0.00 0.00 61.00 62.55 1f6y s PRO 189 Cb -0.42 -3.42 -0.07 0.00 0.04 0.00 0.00 34.50 30.64 1f6y s PRO 189 CO 0.55 0.13 0.72 0.00 0.04 0.00 0.00 177.00 178.44 1f6y s ALA 190 N 0.49 3.38 0.91 8.56 0.00 -1.18 -4.87 121.76 129.04 1f6y s ALA 190 Ca 0.41 -0.15 -0.12 0.00 0.00 0.00 0.00 51.96 52.10 1f6y s ALA 190 Cb -0.20 -2.67 0.14 0.00 0.00 0.00 0.00 23.12 20.39 1f6y s ALA 190 CO 0.22 0.16 1.11 -1.25 0.00 0.00 0.00 175.76 176.00 1f6y s PRO 191 N -3.45 1.17 0.64 0.00 0.04 -1.26 -4.27 135.00 127.86 1f6y s PRO 191 Ca 0.51 0.55 -0.01 0.00 0.04 0.00 0.00 61.00 62.09 1f6y s PRO 191 Cb -0.10 -1.82 0.07 0.00 0.04 0.00 0.00 34.50 32.69 1f6y s PRO 191 CO 0.26 -2.23 0.90 0.15 0.04 0.00 0.00 177.00 176.11 1f6y s LYS 192 N -5.09 2.15 0.03 4.56 1.02 0.05 -4.94 119.74 117.52 1f6y s LYS 192 Ca 0.63 -0.82 0.04 0.00 0.02 0.00 0.00 55.97 55.85 1f6y s LYS 192 Cb -0.16 -2.37 -0.02 0.00 -0.52 0.00 0.00 37.83 34.75 1f6y s LYS 192 CO 0.56 -1.08 -0.11 0.95 -0.92 0.00 0.00 175.35 174.74 1f6y s THR 193 N -2.99 0.89 0.08 2.17 -4.23 -1.26 -1.11 115.64 109.18 1f6y s THR 193 Ca 0.61 -0.86 0.01 0.00 -1.18 0.00 0.00 61.69 60.27 1f6y s THR 193 Cb -0.08 -0.82 -0.04 0.00 1.34 0.00 0.00 72.50 72.90 1f6y s THR 193 CO 0.42 -0.03 -0.06 0.54 -0.54 0.00 0.00 174.62 174.95 1f6y s VAL 194 N -0.80 0.56 0.11 2.29 0.11 -0.65 -1.34 120.40 120.68 1f6y s VAL 194 Ca -0.00 -1.72 0.07 0.00 -2.93 0.00 0.00 61.98 57.40 1f6y s VAL 194 Cb -0.07 -1.40 -0.04 0.00 -1.53 0.00 0.00 36.38 33.34 1f6y s VAL 194 CO 0.01 -0.79 -0.17 -0.76 -3.33 0.00 0.00 175.10 170.05 1f6y s LEU 195 N -2.70 2.34 -1.38 2.54 1.43 -0.99 -4.07 118.68 115.86 1f6y s LEU 195 Ca 0.06 -0.73 -0.12 0.00 -1.03 0.00 0.00 54.13 52.31 1f6y s LEU 195 Cb 0.02 -0.71 0.09 0.00 0.03 0.00 0.00 46.19 45.63 1f6y s LEU 195 CO -0.05 -0.04 2.05 0.61 0.23 0.00 0.00 176.35 179.15 1f6y n GLY 196 N 0.87 4.44 0.39 -3.19 0.00 -1.26 -1.47 105.19 104.96 1f6y n GLY 196 Ca -0.18 -1.79 -0.08 0.00 0.00 0.00 0.00 46.02 43.97 1f6y n GLY 196 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1f6y h LEU 197 N 9.28 -1.45 -2.03 0.99 6.46 -1.66 -1.84 115.31 125.06 1f6y h LEU 197 Ca 0.49 0.24 0.00 0.00 -0.12 0.00 0.00 57.88 58.49 1f6y h LEU 197 Cb 0.65 0.67 0.00 0.00 -0.73 0.00 0.00 40.66 41.25 1f6y h LEU 197 CO 1.75 -0.33 0.03 0.28 -0.62 0.00 0.00 178.44 179.55 1f6y h SER 198 N -0.22 0.00 1.05 1.25 0.02 -1.91 -1.32 113.55 112.41 1f6y h SER 198 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1f6y h SER 198 Cb 0.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1f6y h SER 198 CO -0.69 0.00 0.00 -1.13 -1.14 0.00 0.00 176.83 173.87 1f6y h ASN 199 N 0.00 0.00 -0.01 3.07 -0.00 -1.66 -2.93 115.58 114.05 1f6y h ASN 199 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1f6y h ASN 199 Cb 0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 38.38 1f6y h ASN 199 CO 0.00 0.00 0.04 0.58 -0.00 0.00 0.00 177.43 178.05 1f6y h VAL 200 N 0.00 0.12 0.00 2.57 2.07 -1.44 -3.00 116.25 116.57 1f6y h VAL 200 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1f6y h VAL 200 Cb 0.53 0.97 -0.07 0.00 -1.52 0.00 0.00 31.29 31.19 1f6y h VAL 200 CO 0.00 0.00 -0.46 -1.54 0.02 0.00 0.00 177.57 175.59 1f6y n SER 201 N -3.24 1.55 -0.07 0.57 3.41 -1.11 -1.18 113.62 113.55 1f6y n SER 201 Ca -0.03 -3.09 -0.08 0.00 -0.26 0.00 0.00 58.87 55.42 1f6y n SER 201 Cb 0.11 -0.42 -0.05 0.00 -0.26 0.00 0.00 64.21 63.59 1f6y n SER 201 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1f6y h GLN 202 N 0.59 -0.21 -0.64 4.33 5.75 -1.65 -2.35 115.11 120.93 1f6y h GLN 202 Ca -0.04 0.01 -0.44 0.00 -0.15 0.00 0.00 58.65 58.03 1f6y h GLN 202 Cb 1.21 0.05 -0.30 0.00 1.07 0.00 0.00 27.48 29.51 1f6y h GLN 202 CO 0.02 -0.14 -0.34 0.09 -2.65 0.00 0.00 178.83 175.80 1f6y n ASN 203 N -4.14 4.59 -4.99 -0.69 4.13 -1.26 -5.03 115.26 107.87 1f6y n ASN 203 Ca -0.02 -3.78 -0.19 0.00 1.68 0.00 0.00 54.58 52.27 1f6y n ASN 203 Cb 0.18 -0.53 -0.00 0.00 -1.54 0.00 0.00 39.78 37.89 1f6y n ASN 203 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1f6y s GLN 205 N -4.24 4.06 -1.08 0.00 2.00 -1.26 -4.27 119.66 114.87 1f6y s GLN 205 Ca 0.47 0.91 -0.21 0.00 -2.00 0.00 0.00 55.36 54.53 1f6y s GLN 205 Cb -0.10 -2.24 0.02 0.00 0.80 0.00 0.00 33.01 31.49 1f6y s GLN 205 CO 0.32 -0.05 0.71 -1.71 -0.50 0.00 0.00 175.29 174.05 1f6y n ASN 206 N -0.90 -4.92 -0.02 6.67 2.85 -1.26 -4.81 115.26 112.87 1f6y n ASN 206 Ca 0.06 -1.07 -0.09 0.00 -0.11 0.00 0.00 54.58 53.37 1f6y n ASN 206 Cb 0.54 -2.46 -0.03 0.00 1.24 0.00 0.00 39.78 39.07 1f6y n ASN 206 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 1f6y h ARG 207 N -1.73 -0.04 -0.98 1.20 3.08 -1.86 -2.45 114.38 111.61 1f6y h ARG 207 Ca -0.64 0.00 0.15 0.00 0.07 0.00 0.00 59.98 59.56 1f6y h ARG 207 Cb 1.37 0.01 -0.09 0.00 0.08 0.00 0.00 29.97 31.34 1f6y h ARG 207 CO 0.46 -0.03 0.61 -1.35 -1.07 0.00 0.00 179.97 178.60 1f6y h PRO 208 N -0.04 0.80 0.45 0.04 0.11 -1.95 0.71 132.00 132.12 1f6y h PRO 208 Ca 0.09 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.13 1f6y h PRO 208 Cb 0.17 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.10 1f6y h PRO 208 CO -0.19 0.53 -0.22 1.25 -0.21 0.00 0.00 178.00 179.16 1f6y h LEU 209 N 0.83 -0.53 -0.25 2.35 5.85 -1.82 -1.63 115.31 120.12 1f6y h LEU 209 Ca 0.51 0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.28 1f6y h LEU 209 Cb 0.71 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 1f6y h LEU 209 CO -0.29 -0.37 0.10 0.40 -0.34 0.00 0.00 178.44 177.94 1f6y h ILE 210 N -0.61 0.96 -0.34 4.05 2.04 -0.93 -1.58 117.51 121.08 1f6y h ILE 210 Ca -0.06 -0.07 0.07 0.00 1.00 0.00 0.00 64.86 65.80 1f6y h ILE 210 Cb 0.47 0.72 -0.08 0.00 -0.74 0.00 0.00 36.82 37.20 1f6y h ILE 210 CO 0.10 0.04 -0.16 0.78 0.00 0.00 0.00 178.15 178.90 1f6y h ASN 211 N 0.22 -0.55 0.40 1.72 -0.26 -0.82 -1.50 115.58 114.79 1f6y h ASN 211 Ca 0.11 0.13 -0.17 0.00 -0.56 0.00 0.00 56.30 55.81 1f6y h ASN 211 Cb 0.06 0.30 -0.01 0.00 -1.06 0.00 0.00 38.32 37.61 1f6y h ASN 211 CO -0.10 -0.20 -0.72 0.08 -1.06 0.00 0.00 177.43 175.44 1f6y h ARG 212 N -0.11 0.27 -0.53 0.81 0.11 -1.09 -1.93 114.38 111.91 1f6y h ARG 212 Ca 0.17 -0.22 -0.10 0.00 0.10 0.00 0.00 59.98 59.93 1f6y h ARG 212 Cb 0.37 0.05 -0.02 0.00 1.11 0.00 0.00 29.97 31.48 1f6y h ARG 212 CO -0.41 0.88 -0.06 1.15 0.10 0.00 0.00 179.97 181.62 1f6y h THR 213 N 0.18 1.26 -0.07 0.08 2.02 -0.98 -2.42 112.91 112.98 1f6y h THR 213 Ca -0.02 -1.19 -0.17 0.00 0.77 0.00 0.00 66.41 65.80 1f6y h THR 213 Cb 1.28 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 1f6y h THR 213 CO 0.11 0.42 -0.68 0.15 0.37 0.00 0.00 175.52 175.89 1f6y h PHE 214 N 0.87 0.41 -0.19 3.16 3.57 -1.21 -2.47 116.94 121.09 1f6y h PHE 214 Ca 0.15 -0.17 0.05 0.00 3.53 0.00 0.00 57.97 61.53 1f6y h PHE 214 Cb 0.60 -0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.21 1f6y h PHE 214 CO 0.04 0.89 -0.20 1.25 -2.23 0.00 0.00 178.31 178.06 1f6y h LEU 215 N 0.22 -0.64 -0.46 0.59 6.46 -1.13 0.12 115.31 120.47 1f6y h LEU 215 Ca -0.02 0.12 0.03 0.00 -0.12 0.00 0.00 57.88 57.89 1f6y h LEU 215 Cb 1.23 0.30 -0.03 0.00 -0.73 0.00 0.00 40.66 41.43 1f6y h LEU 215 CO 0.11 -0.25 0.25 0.00 -0.62 0.00 0.00 178.44 177.94 1f6y h ALA 216 N 0.83 0.58 -0.46 1.25 0.00 -1.36 -0.94 119.26 119.15 1f6y h ALA 216 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1f6y h ALA 216 Cb 0.40 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1f6y h ALA 216 CO -0.32 -0.08 -0.09 0.52 0.00 0.00 0.00 179.25 179.28 1f6y h MET 217 N 0.51 0.83 -0.11 0.00 2.86 -1.03 -2.38 114.93 115.61 1f6y h MET 217 Ca 0.19 -0.27 -0.17 0.00 -2.06 0.00 0.00 59.70 57.38 1f6y h MET 217 Cb 0.05 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 1f6y h MET 217 CO -0.11 0.89 -0.67 0.00 1.06 0.00 0.00 176.91 178.08 1f6y h ALA 218 N 1.14 0.64 -0.53 6.32 0.00 -0.50 -2.83 119.26 123.50 1f6y h ALA 218 Ca 0.13 -0.57 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 1f6y h ALA 218 Cb 0.59 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1f6y h ALA 218 CO 0.04 0.73 0.10 0.52 0.00 0.00 0.00 179.25 180.64 1f6y h MET 219 N 0.31 0.83 0.00 0.00 2.86 -1.01 0.28 114.93 118.21 1f6y h MET 219 Ca -0.02 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.43 1f6y h MET 219 Cb 1.23 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.77 1f6y h MET 219 CO 0.12 0.77 -0.05 0.00 1.06 0.00 0.00 176.91 178.81 1f6y h ALA 220 N 1.31 1.27 -0.60 6.32 0.00 -1.19 0.36 119.26 126.73 1f6y h ALA 220 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1f6y h ALA 220 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1f6y h ALA 220 CO 0.00 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1f6y n GLY 222 N 0.85 0.69 3.66 0.00 0.00 0.13 -3.56 105.19 106.95 1f6y n GLY 222 Ca 0.27 -0.46 -0.46 0.00 0.00 0.00 0.00 46.02 45.37 1f6y n GLY 222 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1f6y n LEU 223 N 0.00 2.87 -0.03 0.99 0.00 0.87 -4.66 117.00 117.04 1f6y n LEU 223 Ca 0.00 1.11 0.02 0.00 0.00 0.00 0.00 56.01 57.14 1f6y n LEU 223 Cb 0.00 -1.39 -0.13 0.00 0.00 0.00 0.00 43.42 41.90 1f6y n LEU 223 CO 0.00 -0.48 -0.82 0.23 0.00 0.00 0.00 177.39 176.32 1f6y n MET 224 N 2.77 0.87 -3.65 1.96 2.81 -0.55 -4.62 117.12 116.71 1f6y n MET 224 Ca 0.15 -0.10 -0.12 0.00 -1.81 0.00 0.00 57.70 55.82 1f6y n MET 224 Cb 0.28 -1.40 -0.06 0.00 -0.71 0.00 0.00 33.22 31.34 1f6y n MET 224 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1f6y s SER 225 N -4.32 -0.27 -0.13 7.83 0.15 -0.45 -1.39 113.70 115.12 1f6y s SER 225 Ca -0.07 -0.10 -0.05 0.00 0.70 0.00 0.00 55.95 56.43 1f6y s SER 225 Cb 0.08 0.44 0.06 0.00 -1.71 0.00 0.00 66.02 64.90 1f6y s SER 225 CO 0.68 -0.72 0.28 0.00 1.20 0.00 0.00 173.24 174.68 1f6y s ALA 226 N -2.88 -0.64 -0.19 5.45 0.00 0.13 -2.33 121.76 121.30 1f6y s ALA 226 Ca -0.03 1.03 -0.29 0.00 0.00 0.00 0.00 51.96 52.68 1f6y s ALA 226 Cb 0.00 -0.94 -0.01 0.00 0.00 0.00 0.00 23.12 22.18 1f6y s ALA 226 CO -0.05 -0.51 1.18 0.42 0.00 0.00 0.00 175.76 176.80 1f6y s ILE 227 N 2.08 4.43 0.16 0.00 1.01 -0.54 0.01 121.20 128.33 1f6y s ILE 227 Ca -0.02 1.72 -0.14 0.00 0.00 0.00 0.00 60.65 62.21 1f6y s ILE 227 Cb -0.11 -4.11 0.05 0.00 0.01 0.00 0.00 42.46 38.29 1f6y s ILE 227 CO -0.09 -0.15 0.68 0.00 0.00 0.00 0.00 174.94 175.38 1f6y n ALA 228 N 6.51 -1.74 -2.73 9.38 0.00 -0.80 -1.57 120.51 129.55 1f6y n ALA 228 Ca 0.13 -0.74 -0.43 0.00 0.00 0.00 0.00 53.44 52.40 1f6y n ALA 228 Cb 0.45 0.46 -0.04 0.00 0.00 0.00 0.00 19.45 20.32 1f6y n ALA 228 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1f6y s ASP 229 N -2.64 6.26 0.27 0.00 -1.08 -1.26 -1.30 116.67 116.92 1f6y s ASP 229 Ca 0.15 -0.63 0.25 0.00 -0.52 0.00 0.00 52.55 51.80 1f6y s ASP 229 Cb -0.02 -2.42 0.90 0.00 -1.46 0.00 0.00 42.92 39.92 1f6y s ASP 229 CO 0.05 -1.30 1.75 0.00 0.52 0.00 0.00 175.17 176.20 1f6y h ALA 230 N 9.40 1.00 -0.59 3.66 0.00 -1.90 -2.35 119.26 128.48 1f6y h ALA 230 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1f6y h ALA 230 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1f6y h ALA 230 CO 1.12 0.00 0.00 0.00 0.00 0.00 0.00 179.25 180.37 1f6y s ASP 232 N -1.08 6.29 0.49 0.00 3.68 -0.89 -4.89 116.67 120.28 1f6y s ASP 232 Ca 0.42 -1.09 0.22 0.00 2.13 0.00 0.00 52.55 54.22 1f6y s ASP 232 Cb 0.22 -2.47 1.27 0.00 -1.45 0.00 0.00 42.92 40.49 1f6y s ASP 232 CO 0.29 -1.49 2.04 -0.33 0.13 0.00 0.00 175.17 175.81 1f6y h GLU 233 N 9.60 0.00 -0.05 4.34 5.08 -1.87 -1.36 114.58 130.32 1f6y h GLU 233 Ca -0.14 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 57.99 1f6y h GLU 233 Cb 1.05 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.31 1f6y h GLU 233 CO 1.23 0.15 -0.89 0.00 -1.00 0.00 0.00 179.01 178.49 1f6y h ALA 234 N 1.85 0.33 -0.71 3.43 0.00 -1.96 -0.08 119.26 122.13 1f6y h ALA 234 Ca -0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 1f6y h ALA 234 Cb 0.32 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1f6y h ALA 234 CO 0.02 0.74 0.41 1.25 0.00 0.00 0.00 179.25 181.67 1f6y h LEU 235 N 0.35 0.87 -0.64 0.00 5.85 -1.69 -1.35 115.31 118.71 1f6y h LEU 235 Ca -0.08 -0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.45 1f6y h LEU 235 Cb 1.52 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.31 1f6y h LEU 235 CO 0.17 0.70 -0.10 0.40 -0.34 0.00 0.00 178.44 179.27 1f6y h ILE 236 N 0.97 1.27 -0.31 4.05 1.08 -1.12 -0.90 117.51 122.54 1f6y h ILE 236 Ca 0.25 -1.23 0.07 0.00 -0.39 0.00 0.00 64.86 63.56 1f6y h ILE 236 Cb 0.01 0.96 -0.06 0.00 -3.07 0.00 0.00 36.82 34.65 1f6y h ILE 236 CO -0.04 0.43 -0.11 -0.33 -0.69 0.00 0.00 178.15 177.41 1f6y h GLU 237 N 0.87 -0.04 -0.33 2.37 5.08 -0.75 -1.59 114.58 120.19 1f6y h GLU 237 Ca 0.14 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.56 1f6y h GLU 237 Cb 0.64 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.85 1f6y h GLU 237 CO 0.04 -0.03 0.02 1.15 -1.00 0.00 0.00 179.01 179.20 1f6y h THR 238 N -0.04 0.78 -0.50 1.13 2.02 -0.64 -0.81 112.91 114.85 1f6y h THR 238 Ca 0.16 -0.04 0.08 0.00 0.77 0.00 0.00 66.41 67.37 1f6y h THR 238 Cb 0.28 0.65 -0.06 0.00 -1.74 0.00 0.00 68.15 67.28 1f6y h THR 238 CO -0.35 0.02 0.14 0.00 0.37 0.00 0.00 175.52 175.71 1f6y h ALA 239 N 1.27 0.59 -0.37 6.16 0.00 -0.61 0.13 119.26 126.44 1f6y h ALA 239 Ca 0.16 0.08 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 1f6y h ALA 239 Cb 0.20 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1f6y h ALA 239 CO -0.25 -0.26 -0.35 0.00 0.00 0.00 0.00 179.25 178.40 1f6y h ALA 240 N 1.36 0.54 -0.45 0.00 0.00 -0.97 -2.65 119.26 117.09 1f6y h ALA 240 Ca 0.25 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1f6y h ALA 240 Cb 0.30 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1f6y h ALA 240 CO -0.29 0.61 0.04 1.15 0.00 0.00 0.00 179.25 180.76 1f6y h THR 241 N 0.69 1.25 -0.85 0.00 2.02 -0.60 -2.83 112.91 112.60 1f6y h THR 241 Ca 0.06 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.27 1f6y h THR 241 Cb 0.93 1.01 -0.04 0.00 -1.74 0.00 0.00 68.15 68.31 1f6y h THR 241 CO 0.09 0.34 0.55 0.00 0.37 0.00 0.00 175.52 176.86 1f6y h ALA 242 N 0.93 1.08 -0.52 6.16 0.00 -0.74 -1.40 119.26 124.75 1f6y h ALA 242 Ca 0.13 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.07 1f6y h ALA 242 Cb 0.44 -0.34 -0.08 0.00 0.00 0.00 0.00 17.79 17.81 1f6y h ALA 242 CO 0.02 0.50 0.07 0.93 0.00 0.00 0.00 179.25 180.77 1f6y h GLU 243 N 1.15 0.19 -0.56 0.00 5.08 -1.29 -1.64 114.58 117.51 1f6y h GLU 243 Ca 0.31 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.64 1f6y h GLU 243 Cb -0.11 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 1f6y h GLU 243 CO -0.06 0.13 0.28 0.82 -1.00 0.00 0.00 179.01 179.17 1f6y h ILE 244 N 0.20 1.20 0.00 3.13 1.08 -1.11 -0.78 117.51 121.23 1f6y h ILE 244 Ca 0.27 -0.56 -0.01 0.00 -0.39 0.00 0.00 64.86 64.17 1f6y h ILE 244 Cb 0.39 0.53 -0.00 0.00 -3.07 0.00 0.00 36.82 34.67 1f6y h ILE 244 CO -0.38 0.23 -0.05 -0.07 -0.69 0.00 0.00 178.15 177.19 1f6y h LEU 245 N 0.76 0.00 -1.84 1.44 -0.00 -0.66 -0.61 115.31 114.40 1f6y h LEU 245 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.07 1f6y h LEU 245 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.77 1f6y h LEU 245 CO -0.03 0.05 0.00 0.18 -0.00 0.00 0.00 178.44 178.64 1f6y n LEU 246 N -3.19 2.78 -3.92 1.67 4.77 -0.68 -4.94 117.00 113.49 1f6y n LEU 246 Ca -0.00 -1.13 -0.30 0.00 -0.03 0.00 0.00 56.01 54.55 1f6y n LEU 246 Cb 0.29 -0.15 0.03 0.00 -2.33 0.00 0.00 43.42 41.26 1f6y n LEU 246 CO 0.28 0.56 0.11 -3.20 -1.33 0.00 0.00 177.39 173.81 1f6y n ASN 247 N 1.07 -4.76 -0.01 -1.43 5.15 -0.24 -4.87 115.26 110.18 1f6y n ASN 247 Ca 0.18 -0.78 -0.06 0.00 -0.60 0.00 0.00 54.58 53.31 1f6y n ASN 247 Cb 0.52 -3.87 -0.12 0.00 -0.53 0.00 0.00 39.78 35.77 1f6y n ASN 247 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1f6y n GLN 248 N -4.68 0.63 -4.38 1.20 6.02 -0.34 -4.89 117.38 110.94 1f6y n GLN 248 Ca 0.04 0.26 -0.21 0.00 -0.01 0.00 0.00 57.00 57.08 1f6y n GLN 248 Cb 0.53 -1.79 -0.16 0.00 1.02 0.00 0.00 30.24 29.84 1f6y n GLN 248 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1f6y s THR 249 N -2.70 0.80 0.31 5.09 2.01 -1.21 -5.02 115.64 114.92 1f6y s THR 249 Ca -0.04 -0.33 -0.29 0.00 0.31 0.00 0.00 61.69 61.33 1f6y s THR 249 Cb 0.08 -0.73 -0.12 0.00 0.01 0.00 0.00 72.50 71.74 1f6y s THR 249 CO 0.82 0.26 1.55 0.52 -0.69 0.00 0.00 174.62 177.09 1f6y n VAL 250 N 3.58 1.30 -1.94 3.82 0.31 -1.26 -4.36 118.33 119.78 1f6y n VAL 250 Ca -0.21 -0.32 -0.41 0.00 -0.01 0.00 0.00 64.34 63.39 1f6y n VAL 250 Cb 0.53 -1.94 -0.01 0.00 -0.91 0.00 0.00 33.84 31.51 1f6y n VAL 250 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1f6y s TYR 251 N -0.32 2.82 0.17 3.52 5.04 -1.26 -5.01 117.35 122.31 1f6y s TYR 251 Ca 0.61 1.18 -0.04 0.00 -2.44 0.00 0.00 57.07 56.38 1f6y s TYR 251 Cb -0.50 -3.88 -0.03 0.00 0.35 0.00 0.00 41.96 37.90 1f6y s TYR 251 CO 0.53 -2.64 0.17 0.00 -1.34 0.00 0.00 175.55 172.27 1f6y h ASP 253 N 2.66 0.06 -1.00 0.00 3.32 -2.06 -2.56 116.42 116.84 1f6y h ASP 253 Ca -0.34 -0.00 -0.64 0.00 0.02 0.00 0.00 57.03 56.07 1f6y h ASP 253 Cb 1.23 -0.02 -0.29 0.00 0.22 0.00 0.00 39.33 40.46 1f6y h ASP 253 CO 0.52 0.09 0.82 -0.24 -1.72 0.00 0.00 179.24 178.71 1f6y n SER 254 N -4.48 6.77 -0.36 6.45 2.88 -1.26 -4.70 113.62 118.91 1f6y n SER 254 Ca -0.02 -3.75 0.06 0.00 -1.33 0.00 0.00 58.87 53.83 1f6y n SER 254 Cb 0.12 -0.94 0.23 0.00 -0.75 0.00 0.00 64.21 62.86 1f6y n SER 254 CO 0.00 0.00 0.00 2.19 -1.23 0.00 0.00 175.04 176.00 1f6y h PHE 255 N 1.76 1.12 -0.20 0.66 -5.15 -1.85 -0.23 116.94 113.05 1f6y h PHE 255 Ca 0.62 0.03 0.03 0.00 -0.20 0.00 0.00 57.97 58.45 1f6y h PHE 255 Cb 1.30 -0.35 -0.03 0.00 0.22 0.00 0.00 35.95 37.09 1f6y h PHE 255 CO 1.48 0.46 0.01 0.28 -2.00 0.00 0.00 178.31 178.53 1f6y h VAL 256 N 0.99 0.87 -0.60 0.88 2.07 -1.88 -1.44 116.25 117.14 1f6y h VAL 256 Ca 0.48 -0.03 -0.08 0.00 0.82 0.00 0.00 66.70 67.89 1f6y h VAL 256 Cb 0.45 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1f6y h VAL 256 CO -0.26 0.01 0.04 0.50 0.02 0.00 0.00 177.57 177.89 1f6y h LYS 257 N 0.08 1.01 -0.78 1.57 3.64 -1.50 -2.15 116.57 118.44 1f6y h LYS 257 Ca 0.10 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1f6y h LYS 257 Cb 0.11 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.79 1f6y h LYS 257 CO -0.15 0.96 0.47 0.52 -2.27 0.00 0.00 179.45 178.98 1f6y h MET 258 N 0.93 1.05 -0.29 1.90 2.86 -0.80 -2.26 114.93 118.33 1f6y h MET 258 Ca 0.18 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 1f6y h MET 258 Cb 0.48 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1f6y h MET 258 CO 0.02 0.73 0.04 0.35 1.06 0.00 0.00 176.91 179.11 1f6y h PHE 259 N 1.07 0.52 0.00 -0.22 3.57 -0.73 -0.92 116.94 120.23 1f6y h PHE 259 Ca 0.28 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 1f6y h PHE 259 Cb -0.05 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.54 1f6y h PHE 259 CO 0.00 0.59 -0.06 0.87 -2.23 0.00 0.00 178.31 177.49 1f6y h LYS 260 N 0.30 0.00 0.00 1.11 1.57 -1.10 -3.22 116.57 115.23 1f6y h LYS 260 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1f6y h LYS 260 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1f6y h LYS 260 CO 0.01 0.06 0.00 0.25 -0.57 0.00 0.00 179.45 179.19 1f6y n THR 261 N -3.23 0.44 1.66 -0.16 -2.24 -0.88 -4.49 114.28 105.38 1f6y n THR 261 Ca -0.01 -0.61 0.15 0.00 -2.27 0.00 0.00 64.05 61.31 1f6y n THR 261 Cb 0.27 0.88 0.66 0.00 -2.10 0.00 0.00 70.33 70.04 1f6y n THR 261 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39