#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dfh s LEU 3 N 0.00 1.85 0.67 1.04 2.96 -1.26 -5.12 118.68 118.82 3dfh s LEU 3 Ca 0.00 -1.10 -0.15 0.00 -0.22 0.00 0.00 54.13 52.66 3dfh s LEU 3 Cb 0.00 -0.84 0.01 0.00 0.50 0.00 0.00 46.19 45.86 3dfh s LEU 3 CO 0.00 -0.31 1.13 -1.59 -1.32 0.00 0.00 176.35 174.26 3dfh s LYS 4 N 1.66 2.69 0.27 1.98 -2.85 -1.26 -4.94 119.74 117.30 3dfh s LYS 4 Ca -0.00 1.45 -0.26 0.00 -1.00 0.00 0.00 55.97 56.16 3dfh s LYS 4 Cb -0.18 -1.93 -0.16 0.00 -2.06 0.00 0.00 37.83 33.50 3dfh s LYS 4 CO -0.11 -1.35 0.39 0.39 0.10 0.00 0.00 175.35 174.78 3dfh n GLU 5 N -2.47 0.05 -3.88 1.78 1.02 -1.26 -4.94 120.64 110.94 3dfh n GLU 5 Ca 0.11 0.02 -0.35 0.00 -0.02 0.00 0.00 57.16 56.92 3dfh n GLU 5 Cb 0.52 -1.04 -0.13 0.00 -0.02 0.00 0.00 31.44 30.77 3dfh n GLU 5 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3dfh s THR 6 N -1.23 2.99 -0.16 2.62 2.01 -1.26 -5.00 115.64 115.61 3dfh s THR 6 Ca 0.62 -1.66 -0.23 0.00 0.31 0.00 0.00 61.69 60.73 3dfh s THR 6 Cb -0.82 -2.86 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 3dfh s THR 6 CO 0.58 -0.31 0.70 -0.63 -0.69 0.00 0.00 174.62 174.27 3dfh s ILE 7 N 1.19 4.99 0.02 1.82 -1.09 -1.26 -0.20 121.20 126.66 3dfh s ILE 7 Ca -0.00 1.37 -0.30 0.00 -2.23 0.00 0.00 60.65 59.49 3dfh s ILE 7 Cb -0.21 -4.02 -0.05 0.00 -1.58 0.00 0.00 42.46 36.60 3dfh s ILE 7 CO -0.03 0.13 1.27 -0.63 -1.23 0.00 0.00 174.94 174.45 3dfh s ILE 8 N 1.68 3.94 -0.09 2.92 1.01 -0.40 -0.61 121.20 129.64 3dfh s ILE 8 Ca 0.34 1.34 0.13 0.00 0.00 0.00 0.00 60.65 62.46 3dfh s ILE 8 Cb -0.16 -3.86 -0.19 0.00 0.01 0.00 0.00 42.46 38.25 3dfh s ILE 8 CO 0.13 0.04 0.16 -1.54 0.00 0.00 0.00 174.94 173.73 3dfh n SER 9 N 4.70 1.59 -3.60 3.58 3.41 0.05 -1.19 113.62 122.15 3dfh n SER 9 Ca 0.11 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.64 3dfh n SER 9 Cb 0.45 1.18 -0.02 0.00 -0.26 0.00 0.00 64.21 65.56 3dfh n SER 9 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3dfh s ASP 10 N -4.31 -0.35 -0.09 4.04 2.15 -1.17 -4.92 116.67 112.03 3dfh s ASP 10 Ca -0.06 -0.20 -0.05 0.00 0.43 0.00 0.00 52.55 52.66 3dfh s ASP 10 Cb 0.06 0.52 0.04 0.00 -0.30 0.00 0.00 42.92 43.23 3dfh s ASP 10 CO 0.59 -0.89 0.21 -0.63 -0.17 0.00 0.00 175.17 174.28 3dfh s ILE 11 N -3.43 -0.03 0.07 4.11 1.01 -1.26 -1.32 121.20 120.34 3dfh s ILE 11 Ca 0.07 0.11 0.05 0.00 0.00 0.00 0.00 60.65 60.88 3dfh s ILE 11 Cb -0.02 -0.32 -0.03 0.00 0.01 0.00 0.00 42.46 42.11 3dfh s ILE 11 CO -0.05 0.04 -0.14 -1.00 0.00 0.00 0.00 174.94 173.80 3dfh s HIS 12 N 0.86 1.22 -0.15 3.97 3.76 -0.43 -4.97 115.29 119.55 3dfh s HIS 12 Ca -0.06 -0.44 0.01 0.00 -0.15 0.00 0.00 55.06 54.42 3dfh s HIS 12 Cb -0.08 -0.69 0.02 0.00 1.11 0.00 0.00 32.58 32.94 3dfh s HIS 12 CO -0.05 0.05 -0.17 0.00 -0.85 0.00 0.00 174.74 173.73 3dfh s ILE 14 N 1.27 2.85 -0.15 0.00 1.01 0.14 -4.95 121.20 121.37 3dfh s ILE 14 Ca 0.01 -0.73 -0.04 0.00 0.00 0.00 0.00 60.65 59.89 3dfh s ILE 14 Cb -0.14 -2.18 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 3dfh s ILE 14 CO -0.08 0.53 -0.02 -0.63 0.00 0.00 0.00 174.94 174.74 3dfh s ILE 15 N 0.34 4.05 0.05 2.92 1.01 -1.26 -0.41 121.20 127.91 3dfh s ILE 15 Ca -0.12 -0.30 0.03 0.00 0.00 0.00 0.00 60.65 60.25 3dfh s ILE 15 Cb -0.16 -2.77 -0.02 0.00 0.01 0.00 0.00 42.46 39.51 3dfh s ILE 15 CO 0.06 0.50 -0.10 -0.89 0.00 0.00 0.00 174.94 174.52 3dfh s THR 16 N 0.21 0.73 -0.54 2.92 2.01 0.24 -4.76 115.64 116.45 3dfh s THR 16 Ca -0.01 -1.08 0.07 0.00 0.31 0.00 0.00 61.69 60.98 3dfh s THR 16 Cb -0.14 -0.74 0.28 0.00 0.01 0.00 0.00 72.50 71.92 3dfh s THR 16 CO 0.02 -0.28 0.74 1.17 -0.69 0.00 0.00 174.62 175.59 3dfh n LYS 17 N 1.55 2.11 0.00 4.92 4.81 0.38 0.32 118.16 132.25 3dfh n LYS 17 Ca -0.21 -4.24 0.11 0.00 -0.87 0.00 0.00 58.31 53.10 3dfh n LYS 17 Cb 0.55 -1.96 0.55 0.00 0.02 0.00 0.00 35.03 34.19 3dfh n LYS 17 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3dfh n PRO 18 N 0.63 0.18 0.00 1.64 -0.04 -1.26 -4.73 135.00 131.42 3dfh n PRO 18 Ca 0.28 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 3dfh n PRO 18 Cb 0.46 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 3dfh n PRO 18 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3dfh n ASP 19 N -1.39 0.00 0.04 3.54 4.64 -1.26 -4.43 116.55 117.69 3dfh n ASP 19 Ca 0.09 0.00 -0.22 0.00 -1.38 0.00 0.00 54.79 53.27 3dfh n ASP 19 Cb 0.23 0.00 -0.14 0.00 -1.04 0.00 0.00 41.12 40.16 3dfh n ASP 19 CO 0.00 0.00 0.00 0.03 -0.82 0.00 0.00 177.20 176.41 3dfh h ARG 20 N 0.00 0.32 -6.02 -0.67 2.47 -1.98 -3.48 114.38 105.01 3dfh h ARG 20 Ca 0.00 -0.55 -0.59 0.00 -1.26 0.00 0.00 59.98 57.58 3dfh h ARG 20 Cb 0.00 0.21 -0.03 0.00 -1.65 0.00 0.00 29.97 28.49 3dfh h ARG 20 CO 0.00 1.27 -0.44 -1.01 0.56 0.00 0.00 179.97 180.35 3dfh s HIS 21 N -2.54 3.50 -0.12 3.04 3.76 -1.26 -5.05 115.29 116.62 3dfh s HIS 21 Ca -0.18 0.29 -0.29 0.00 -0.15 0.00 0.00 55.06 54.72 3dfh s HIS 21 Cb 0.05 -1.80 -0.02 0.00 1.11 0.00 0.00 32.58 31.92 3dfh s HIS 21 CO 0.81 0.52 1.28 -0.80 -0.85 0.00 0.00 174.74 175.70 3dfh s ASN 22 N -2.73 6.94 -0.15 1.40 0.02 -1.26 -4.45 114.94 114.71 3dfh s ASN 22 Ca 0.36 1.79 -0.01 0.00 -1.02 0.00 0.00 52.86 53.98 3dfh s ASN 22 Cb -0.12 -2.54 -0.01 0.00 0.02 0.00 0.00 41.25 38.59 3dfh s ASN 22 CO 0.28 -0.73 -0.11 -0.76 0.02 0.00 0.00 177.10 175.80 3dfh s LEU 23 N 3.15 2.73 -0.21 0.60 1.43 0.15 -4.76 118.68 121.76 3dfh s LEU 23 Ca 0.57 -0.36 -0.01 0.00 -1.03 0.00 0.00 54.13 53.30 3dfh s LEU 23 Cb -0.24 -1.63 0.02 0.00 0.03 0.00 0.00 46.19 44.36 3dfh s LEU 23 CO 0.18 0.11 -0.12 -0.63 0.23 0.00 0.00 176.35 176.13 3dfh s ILE 24 N 0.66 2.59 0.02 -0.59 1.01 -1.25 0.82 121.20 124.46 3dfh s ILE 24 Ca -0.06 -0.90 0.08 0.00 0.00 0.00 0.00 60.65 59.78 3dfh s ILE 24 Cb -0.15 -2.20 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 3dfh s ILE 24 CO 0.02 0.39 -0.24 -0.89 0.00 0.00 0.00 174.94 174.22 3dfh s THR 25 N 1.33 2.27 -0.10 2.92 2.01 0.46 -1.59 115.64 122.93 3dfh s THR 25 Ca 0.03 -1.25 0.02 0.00 0.31 0.00 0.00 61.69 60.80 3dfh s THR 25 Cb -0.15 -1.87 -0.01 0.00 0.01 0.00 0.00 72.50 70.48 3dfh s THR 25 CO -0.08 0.43 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.43 3dfh s VAL 26 N -0.77 2.84 -0.16 3.82 1.01 -0.81 0.27 120.40 126.60 3dfh s VAL 26 Ca 0.12 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.34 3dfh s VAL 26 Cb -0.10 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.13 3dfh s VAL 26 CO 0.02 0.55 -0.15 -0.69 0.00 0.00 0.00 175.10 174.82 3dfh s VAL 27 N 0.10 2.60 -0.22 2.92 1.01 0.33 -0.43 120.40 126.71 3dfh s VAL 27 Ca -0.07 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 3dfh s VAL 27 Cb -0.15 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 3dfh s VAL 27 CO 0.05 0.51 -0.03 -0.69 0.00 0.00 0.00 175.10 174.94 3dfh s VAL 28 N 0.95 3.51 0.10 2.92 1.01 0.46 -1.32 120.40 128.02 3dfh s VAL 28 Ca -0.03 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.53 3dfh s VAL 28 Cb -0.15 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 3dfh s VAL 28 CO -0.02 0.42 0.15 -1.61 0.00 0.00 0.00 175.10 174.03 3dfh s GLU 29 N 1.42 3.09 0.23 2.72 2.02 -0.44 0.36 118.70 128.11 3dfh s GLU 29 Ca 0.05 -0.65 0.04 0.00 0.02 0.00 0.00 54.97 54.43 3dfh s GLU 29 Cb -0.14 -2.82 -0.05 0.00 0.10 0.00 0.00 34.13 31.21 3dfh s GLU 29 CO -0.02 0.56 -0.02 0.95 0.02 0.00 0.00 175.26 176.75 3dfh s THR 30 N -1.52 1.13 -0.22 3.63 -4.23 -1.20 -0.77 115.64 112.46 3dfh s THR 30 Ca 0.32 -2.05 0.25 0.00 -1.18 0.00 0.00 61.69 59.03 3dfh s THR 30 Cb -0.12 -2.30 0.27 0.00 1.34 0.00 0.00 72.50 71.69 3dfh s THR 30 CO 0.25 -0.37 1.77 0.78 -0.54 0.00 0.00 174.62 176.51 3dfh h ASN 31 N 2.48 0.00 -0.16 3.99 4.21 -1.19 -1.97 115.58 122.95 3dfh h ASN 31 Ca -0.38 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.13 3dfh h ASN 31 Cb 1.22 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.42 3dfh h ASN 31 CO 0.65 0.00 0.00 -0.62 -1.29 0.00 0.00 177.43 176.17 3dfh n GLU 32 N -2.40 1.94 -0.85 0.81 -0.58 -1.26 -4.94 120.64 113.36 3dfh n GLU 32 Ca 0.00 -1.40 0.00 0.00 -0.42 0.00 0.00 57.16 55.34 3dfh n GLU 32 Cb 0.14 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 3dfh n GLU 32 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dfh n GLY 33 N 1.24 0.61 3.69 0.62 0.00 -0.74 -4.99 105.19 105.63 3dfh n GLY 33 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3dfh n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dfh s VAL 34 N -2.80 4.89 -0.07 1.61 1.01 -1.26 -4.87 120.40 118.91 3dfh s VAL 34 Ca 0.00 1.74 0.02 0.00 0.00 0.00 0.00 61.98 63.74 3dfh s VAL 34 Cb 0.00 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 3dfh s VAL 34 CO 0.00 0.09 -0.12 -0.89 0.00 0.00 0.00 175.10 174.17 3dfh s THR 35 N 1.69 3.21 0.14 3.92 2.01 -1.26 -3.22 115.64 122.13 3dfh s THR 35 Ca 0.42 -0.65 0.07 0.00 0.31 0.00 0.00 61.69 61.84 3dfh s THR 35 Cb -0.18 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.00 3dfh s THR 35 CO 0.17 0.58 -0.02 -0.83 -0.69 0.00 0.00 174.62 173.82 3dfh s GLY 36 N -0.50 1.80 0.02 4.40 0.00 0.16 -4.65 107.32 108.55 3dfh s GLY 36 Ca 0.07 -1.27 0.06 0.00 0.00 0.00 0.00 44.72 43.57 3dfh s GLY 36 CO 0.02 -1.27 -0.18 -1.36 0.00 0.00 0.00 173.10 170.31 3dfh s PHE 37 N -1.51 1.57 0.20 1.90 0.08 -1.26 -0.41 117.98 118.57 3dfh s PHE 37 Ca 0.26 -0.34 -0.01 0.00 0.12 0.00 0.00 56.93 56.96 3dfh s PHE 37 Cb -0.10 -0.97 -0.04 0.00 -0.57 0.00 0.00 43.02 41.34 3dfh s PHE 37 CO 0.17 0.03 0.12 0.20 -0.10 0.00 0.00 175.22 175.65 3dfh s GLY 38 N -0.87 1.46 -0.03 4.36 0.00 0.43 -3.10 107.32 109.57 3dfh s GLY 38 Ca 0.06 -1.71 0.07 0.00 0.00 0.00 0.00 44.72 43.13 3dfh s GLY 38 CO 0.01 -1.42 -0.23 0.00 0.00 0.00 0.00 173.10 171.45 3dfh s ALA 40 N -0.41 2.58 -0.21 0.00 0.00 -0.62 -3.47 121.76 119.63 3dfh s ALA 40 Ca 0.05 -1.32 -0.01 0.00 0.00 0.00 0.00 51.96 50.68 3dfh s ALA 40 Cb -0.10 -0.62 0.06 0.00 0.00 0.00 0.00 23.12 22.46 3dfh s ALA 40 CO 0.00 0.57 -0.01 0.95 0.00 0.00 0.00 175.76 177.28 3dfh s THR 41 N -1.04 1.02 -0.40 0.00 -4.23 -1.26 -3.97 115.64 105.76 3dfh s THR 41 Ca 0.16 -0.86 0.03 0.00 -1.18 0.00 0.00 61.69 59.83 3dfh s THR 41 Cb -0.10 -1.40 0.16 0.00 1.34 0.00 0.00 72.50 72.50 3dfh s THR 41 CO 0.07 -0.14 0.33 0.12 -0.54 0.00 0.00 174.62 174.47 3dfh s PHE 42 N 1.63 0.64 0.22 3.99 2.19 -1.26 -4.92 117.98 120.48 3dfh s PHE 42 Ca -0.03 -1.84 -0.07 0.00 0.33 0.00 0.00 56.93 55.31 3dfh s PHE 42 Cb -0.18 -0.77 0.31 0.00 -1.31 0.00 0.00 43.02 41.07 3dfh s PHE 42 CO -0.07 -0.87 1.80 0.37 1.83 0.00 0.00 175.22 178.27 3dfh h GLN 43 N 6.15 0.65 0.00 10.12 5.75 -1.96 -2.05 115.11 133.78 3dfh h GLN 43 Ca 0.17 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.63 3dfh h GLN 43 Cb 0.96 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.36 3dfh h GLN 43 CO 0.30 0.43 -0.17 1.96 -2.65 0.00 0.00 178.83 178.69 3dfh h GLN 44 N 0.67 0.00 -1.57 1.69 7.50 -1.96 -3.37 115.11 118.06 3dfh h GLN 44 Ca 0.34 0.00 -0.45 0.00 0.50 0.00 0.00 58.65 59.04 3dfh h GLN 44 Cb 0.30 0.00 -0.40 0.00 0.05 0.00 0.00 27.48 27.43 3dfh h GLN 44 CO -0.23 0.00 -1.11 0.54 -1.50 0.00 0.00 178.83 176.53 3dfh n ARG 45 N -2.90 1.47 -0.35 1.46 5.12 -0.79 -4.96 116.66 115.72 3dfh n ARG 45 Ca 0.04 -3.57 0.08 0.00 -1.93 0.00 0.00 57.85 52.47 3dfh n ARG 45 Cb 0.52 -1.62 0.25 0.00 -1.16 0.00 0.00 32.46 30.45 3dfh n ARG 45 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 3dfh h PRO 46 N 2.96 0.90 0.02 5.56 0.11 -1.69 -2.63 132.00 137.22 3dfh h PRO 46 Ca 0.04 -0.05 -0.20 0.00 0.11 0.00 0.00 66.00 65.89 3dfh h PRO 46 Cb 1.01 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 3dfh h PRO 46 CO 0.56 0.60 -0.92 -0.07 -0.21 0.00 0.00 178.00 177.96 3dfh h LEU 47 N 0.93 0.20 -0.51 2.35 3.38 -1.93 -2.56 115.31 117.16 3dfh h LEU 47 Ca 0.50 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 58.34 3dfh h LEU 47 Cb 0.55 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 3dfh h LEU 47 CO -0.29 1.01 0.27 0.00 0.09 0.00 0.00 178.44 179.53 3dfh h ALA 48 N 0.97 0.66 -0.38 1.53 0.00 -1.88 -1.62 119.26 118.53 3dfh h ALA 48 Ca -0.04 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3dfh h ALA 48 Cb 1.58 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 3dfh h ALA 48 CO 0.14 -0.06 -0.08 0.28 0.00 0.00 0.00 179.25 179.53 3dfh h VAL 49 N 0.53 1.27 -0.29 0.00 2.07 -1.46 -2.05 116.25 116.33 3dfh h VAL 49 Ca 0.22 -1.14 -0.17 0.00 0.82 0.00 0.00 66.70 66.43 3dfh h VAL 49 Cb 0.10 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3dfh h VAL 49 CO -0.14 0.38 -0.48 0.50 0.02 0.00 0.00 177.57 177.85 3dfh h LYS 50 N 0.54 0.84 -0.33 1.57 3.64 -1.32 -2.08 116.57 119.43 3dfh h LYS 50 Ca 0.10 -0.51 0.06 0.00 -1.27 0.00 0.00 60.65 59.03 3dfh h LYS 50 Cb 0.58 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.40 3dfh h LYS 50 CO 0.03 1.15 -0.01 1.15 -2.27 0.00 0.00 179.45 179.50 3dfh h THR 51 N 0.61 0.74 -0.68 1.00 2.02 -1.35 0.10 112.91 115.36 3dfh h THR 51 Ca 0.02 -0.03 0.07 0.00 0.77 0.00 0.00 66.41 67.25 3dfh h THR 51 Cb 1.08 0.66 -0.06 0.00 -1.74 0.00 0.00 68.15 68.09 3dfh h THR 51 CO 0.11 0.01 0.36 -0.03 0.37 0.00 0.00 175.52 176.34 3dfh h MET 52 N 0.08 0.62 -0.06 6.66 1.85 -1.02 0.24 114.93 123.30 3dfh h MET 52 Ca 0.16 -0.04 -0.05 0.00 -0.61 0.00 0.00 59.70 59.16 3dfh h MET 52 Cb 0.22 -0.14 0.00 0.00 0.43 0.00 0.00 31.60 32.11 3dfh h MET 52 CO -0.28 0.41 -0.15 0.28 -0.40 0.00 0.00 176.91 176.76 3dfh h VAL 53 N 0.64 1.42 0.51 -5.77 2.07 -1.07 -0.38 116.25 113.67 3dfh h VAL 53 Ca 0.32 -1.50 -0.03 0.00 0.82 0.00 0.00 66.70 66.32 3dfh h VAL 53 Cb 0.27 2.25 0.01 0.00 -1.52 0.00 0.00 31.29 32.29 3dfh h VAL 53 CO -0.22 0.42 -0.25 0.44 0.02 0.00 0.00 177.57 177.98 3dfh h ASP 54 N -0.28 -0.58 -0.25 0.57 3.32 -0.65 -1.32 116.42 117.22 3dfh h ASP 54 Ca -0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3dfh h ASP 54 Cb 0.75 0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 3dfh h ASP 54 CO 0.03 -0.17 0.05 -0.33 -1.72 0.00 0.00 179.24 177.11 3dfh h GLU 55 N -1.17 0.41 0.00 3.56 4.39 -0.66 -3.37 114.58 117.74 3dfh h GLU 55 Ca -0.07 -0.10 -0.14 0.00 0.34 0.00 0.00 59.36 59.39 3dfh h GLU 55 Cb 0.55 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 3dfh h GLU 55 CO 0.12 0.52 -1.51 0.66 -1.16 0.00 0.00 179.01 177.63 3dfh n TYR 56 N -4.71 0.00 -0.10 4.33 4.01 -0.67 -4.65 117.16 115.37 3dfh n TYR 56 Ca -0.03 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.59 3dfh n TYR 56 Cb 0.19 -0.34 -0.03 0.00 -0.31 0.00 0.00 39.34 38.84 3dfh n TYR 56 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3dfh h LEU 57 N -0.10 0.60 -0.44 7.72 3.38 -0.97 -3.36 115.31 122.14 3dfh h LEU 57 Ca -0.21 -0.37 0.08 0.00 0.09 0.00 0.00 57.88 57.47 3dfh h LEU 57 Cb 1.28 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.80 3dfh h LEU 57 CO -0.06 0.83 0.06 0.11 0.09 0.00 0.00 178.44 179.46 3dfh h LYS 58 N 0.36 0.17 0.00 1.13 1.57 -1.41 -2.15 116.57 116.25 3dfh h LYS 58 Ca 0.08 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 3dfh h LYS 58 Cb 0.57 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 3dfh h LYS 58 CO 0.03 0.11 -0.24 -1.00 -0.57 0.00 0.00 179.45 177.79 3dfh h PRO 59 N 0.18 0.00 -0.06 3.15 0.13 -1.82 -1.82 132.00 131.75 3dfh h PRO 59 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 3dfh h PRO 59 Cb 0.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.43 3dfh h PRO 59 CO -0.32 0.24 0.00 0.44 -0.23 0.00 0.00 178.00 178.13 3dfh n ILE 60 N -3.38 0.06 -0.05 -3.56 -5.35 -0.85 -4.18 119.36 102.05 3dfh n ILE 60 Ca 0.00 -0.23 -0.06 0.00 -0.27 0.00 0.00 62.75 62.18 3dfh n ILE 60 Cb 0.45 0.30 -0.05 0.00 -1.74 0.00 0.00 39.64 38.59 3dfh n ILE 60 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3dfh n LEU 61 N 0.02 2.13 -4.64 7.28 4.77 -0.95 -4.90 117.00 120.72 3dfh n LEU 61 Ca 0.18 -0.04 -0.45 0.00 -0.03 0.00 0.00 56.01 55.67 3dfh n LEU 61 Cb 0.30 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 3dfh n LEU 61 CO 0.15 0.54 0.85 -0.38 -1.33 0.00 0.00 177.39 177.23 3dfh n ILE 62 N -2.67 1.24 0.00 -0.08 2.08 -0.73 -1.36 119.36 117.84 3dfh n ILE 62 Ca -0.17 -0.31 0.00 0.00 0.56 0.00 0.00 62.75 62.83 3dfh n ILE 62 Cb 0.72 -1.24 0.00 0.00 -0.75 0.00 0.00 39.64 38.37 3dfh n ILE 62 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3dfh n GLY 63 N 1.79 2.97 3.85 7.39 0.00 -0.34 -4.98 105.19 115.87 3dfh n GLY 63 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3dfh n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dfh s LYS 64 N -0.46 3.43 -0.52 1.61 -0.14 -0.47 -4.63 119.74 118.56 3dfh s LYS 64 Ca 0.00 0.88 -0.23 0.00 -1.36 0.00 0.00 55.97 55.26 3dfh s LYS 64 Cb 0.00 -2.06 0.04 0.00 -1.68 0.00 0.00 37.83 34.14 3dfh s LYS 64 CO 0.00 -0.71 0.84 1.21 -0.76 0.00 0.00 175.35 175.93 3dfh s ASN 65 N -3.78 6.33 0.58 2.83 2.47 -1.26 -1.28 114.94 120.83 3dfh s ASN 65 Ca 0.57 -0.44 0.35 0.00 0.42 0.00 0.00 52.86 53.76 3dfh s ASN 65 Cb -0.12 -2.39 1.88 0.00 -1.45 0.00 0.00 41.25 39.17 3dfh s ASN 65 CO 0.50 -1.09 2.05 0.00 -3.72 0.00 0.00 177.10 174.84 3dfh h ALA 66 N 9.17 1.11 -0.83 1.71 0.00 -0.95 -3.19 119.26 126.28 3dfh h ALA 66 Ca -0.26 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.67 3dfh h ALA 66 Cb 1.08 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 3dfh h ALA 66 CO 1.03 -0.11 0.55 -0.91 0.00 0.00 0.00 179.25 179.81 3dfh h ASN 67 N 0.00 0.92 -2.26 0.00 -0.26 -1.92 -3.34 115.58 108.72 3dfh h ASN 67 Ca 0.00 -0.02 -0.75 0.00 -0.56 0.00 0.00 56.30 54.97 3dfh h ASN 67 Cb 0.23 -0.22 -0.19 0.00 -1.06 0.00 0.00 38.32 37.07 3dfh h ASN 67 CO 0.00 0.65 1.33 0.59 -1.06 0.00 0.00 177.43 178.94 3dfh n ASN 68 N -4.43 5.30 -0.07 5.81 3.02 -1.21 -4.85 115.26 118.84 3dfh n ASN 68 Ca 0.10 -3.03 -0.10 0.00 -0.03 0.00 0.00 54.58 51.52 3dfh n ASN 68 Cb 0.06 -1.51 -0.03 0.00 -0.61 0.00 0.00 39.78 37.70 3dfh n ASN 68 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3dfh h ILE 69 N 4.26 1.08 -0.02 2.41 2.04 -1.87 -1.54 117.51 123.87 3dfh h ILE 69 Ca 0.31 -0.17 -0.19 0.00 1.00 0.00 0.00 64.86 65.81 3dfh h ILE 69 Cb 0.81 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 3dfh h ILE 69 CO 1.29 0.08 -0.81 1.05 0.00 0.00 0.00 178.15 179.75 3dfh h GLU 70 N 0.34 0.24 -0.71 2.37 9.09 -1.95 0.91 114.58 124.87 3dfh h GLU 70 Ca 0.09 -0.24 0.07 0.00 0.05 0.00 0.00 59.36 59.34 3dfh h GLU 70 Cb -0.01 0.06 -0.06 0.00 -1.65 0.00 0.00 28.75 27.09 3dfh h GLU 70 CO -0.02 0.93 0.40 0.22 0.05 0.00 0.00 179.01 180.59 3dfh h ASP 71 N 0.15 0.58 -0.16 3.06 3.58 -1.93 0.78 116.42 122.48 3dfh h ASP 71 Ca -0.04 0.04 -0.13 0.00 0.42 0.00 0.00 57.03 57.32 3dfh h ASP 71 Cb 1.41 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.37 3dfh h ASP 71 CO 0.13 0.36 -0.35 -0.07 -2.88 0.00 0.00 179.24 176.43 3dfh h LEU 72 N 0.72 0.70 -0.30 2.28 3.38 -0.79 -2.49 115.31 118.81 3dfh h LEU 72 Ca 0.33 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3dfh h LEU 72 Cb 0.23 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3dfh h LEU 72 CO -0.20 0.99 0.11 -0.25 0.09 0.00 0.00 178.44 179.18 3dfh h TRP 73 N 0.56 0.47 -0.55 1.13 7.01 -0.06 -0.42 115.95 124.09 3dfh h TRP 73 Ca 0.06 -0.04 -0.04 0.00 2.11 0.00 0.00 58.89 60.97 3dfh h TRP 73 Cb 0.86 -0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 27.76 3dfh h TRP 73 CO 0.04 0.47 0.16 0.37 -2.79 0.00 0.00 178.44 176.69 3dfh h GLN 74 N 0.33 0.82 -0.40 2.65 5.75 -0.81 -0.34 115.11 123.12 3dfh h GLN 74 Ca 0.10 -0.15 -0.14 0.00 -0.15 0.00 0.00 58.65 58.30 3dfh h GLN 74 Cb 0.21 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 3dfh h GLN 74 CO -0.01 0.72 -0.32 1.98 -2.65 0.00 0.00 178.83 178.56 3dfh h MET 75 N 0.80 0.91 -0.39 1.69 4.05 -0.97 -2.93 114.93 118.10 3dfh h MET 75 Ca 0.18 -0.45 -0.14 0.00 -0.28 0.00 0.00 59.70 59.01 3dfh h MET 75 Cb 0.25 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.04 3dfh h MET 75 CO -0.01 1.11 -0.30 0.52 0.23 0.00 0.00 176.91 178.46 3dfh h MET 76 N 0.73 0.89 -0.20 0.39 2.86 -0.65 -2.51 114.93 116.45 3dfh h MET 76 Ca 0.07 -0.44 -0.02 0.00 -2.06 0.00 0.00 59.70 57.26 3dfh h MET 76 Cb 0.90 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.55 3dfh h MET 76 CO 0.08 1.09 0.04 0.52 1.06 0.00 0.00 176.91 179.70 3dfh h MET 77 N 0.71 0.28 -0.19 1.72 2.07 -0.99 -2.67 114.93 115.86 3dfh h MET 77 Ca 0.07 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.67 3dfh h MET 77 Cb 0.88 -0.05 0.00 0.00 -1.87 0.00 0.00 31.60 30.56 3dfh h MET 77 CO 0.08 0.28 0.00 1.33 1.07 0.00 0.00 176.91 179.66 3dfh n VAL 78 N -4.41 0.27 0.19 -2.22 0.24 -1.11 -4.65 118.33 106.63 3dfh n VAL 78 Ca -0.00 -0.63 0.03 0.00 -2.04 0.00 0.00 64.34 61.70 3dfh n VAL 78 Cb 0.15 1.18 0.38 0.00 -1.47 0.00 0.00 33.84 34.07 3dfh n VAL 78 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 3dfh h ASN 79 N 3.90 0.00 -0.38 -1.34 -0.73 -1.08 -2.63 115.58 113.33 3dfh h ASN 79 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 3dfh h ASN 79 Cb 0.87 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.46 3dfh h ASN 79 CO 0.00 0.35 0.00 0.00 -0.37 0.00 0.00 177.43 177.41 3dfh n ALA 80 N -2.46 2.88 -0.01 1.57 0.00 -1.26 -4.97 120.51 116.26 3dfh n ALA 80 Ca -0.02 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.48 3dfh n ALA 80 Cb 0.39 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.82 3dfh n ALA 80 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3dfh n TYR 81 N 0.56 0.00 -1.79 0.00 9.36 -0.99 -4.79 117.16 119.51 3dfh n TYR 81 Ca 0.15 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 61.00 3dfh n TYR 81 Cb 0.59 0.00 0.05 0.00 -0.63 0.00 0.00 39.34 39.35 3dfh n TYR 81 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 3dfh s TRP 82 N 0.00 2.21 0.30 2.98 0.51 -1.26 -4.92 118.94 118.76 3dfh s TRP 82 Ca 0.00 1.43 -0.09 0.00 -2.12 0.00 0.00 56.10 55.32 3dfh s TRP 82 Cb 0.00 -3.73 0.00 0.00 -0.81 0.00 0.00 33.47 28.93 3dfh s TRP 82 CO 0.00 -2.85 0.50 -0.98 -0.51 0.00 0.00 176.95 173.11 3dfh s ARG 83 N -3.12 1.75 -0.33 4.98 1.70 -1.26 -4.85 118.95 117.81 3dfh s ARG 83 Ca 0.76 -1.47 -0.05 0.00 -0.47 0.00 0.00 55.73 54.50 3dfh s ARG 83 Cb -0.38 0.47 0.01 0.00 -0.57 0.00 0.00 34.95 34.47 3dfh s ARG 83 CO 0.43 -0.73 0.17 0.09 -1.08 0.00 0.00 175.30 174.18 3dfh n ASN 84 N -0.87 -7.76 -3.71 -2.89 3.02 -1.26 -5.09 115.26 96.69 3dfh n ASN 84 Ca -0.01 1.13 -0.06 0.00 -0.03 0.00 0.00 54.58 55.60 3dfh n ASN 84 Cb 0.62 -5.18 -0.02 0.00 -0.61 0.00 0.00 39.78 34.59 3dfh n ASN 84 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3dfh s GLY 85 N -1.85 -0.27 0.45 7.41 0.00 -1.26 -4.87 107.32 106.92 3dfh s GLY 85 Ca 0.07 0.18 0.24 0.00 0.00 0.00 0.00 44.72 45.21 3dfh s GLY 85 CO 0.75 0.04 1.87 -0.56 0.00 0.00 0.00 173.10 175.20 3dfh h PRO 86 N 2.00 0.00 0.00 2.90 0.13 -1.93 -2.40 132.00 132.70 3dfh h PRO 86 Ca -0.23 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3dfh h PRO 86 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 3dfh h PRO 86 CO 0.27 0.22 -0.05 0.28 -0.23 0.00 0.00 178.00 178.48 3dfh h VAL 87 N 0.00 0.20 -0.38 1.56 2.07 -1.97 -3.11 116.25 114.63 3dfh h VAL 87 Ca -0.00 -1.16 0.06 0.00 0.82 0.00 0.00 66.70 66.42 3dfh h VAL 87 Cb 0.68 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 3dfh h VAL 87 CO 0.03 0.07 0.09 0.40 0.02 0.00 0.00 177.57 178.17 3dfh h ILE 88 N -1.00 0.82 -0.62 4.57 2.04 -1.95 -2.76 117.51 118.59 3dfh h ILE 88 Ca -0.00 -0.07 -0.07 0.00 1.00 0.00 0.00 64.86 65.72 3dfh h ILE 88 Cb 0.16 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 3dfh h ILE 88 CO -0.00 0.04 0.13 0.78 0.00 0.00 0.00 178.15 179.10 3dfh h ASN 89 N 0.22 0.96 -0.27 1.72 4.21 -1.59 -0.91 115.58 119.92 3dfh h ASN 89 Ca 0.18 -0.24 -0.00 0.00 1.21 0.00 0.00 56.30 57.45 3dfh h ASN 89 Cb 0.21 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 37.14 3dfh h ASN 89 CO -0.23 0.96 0.16 0.78 -1.29 0.00 0.00 177.43 177.81 3dfh h ASN 90 N 0.92 0.33 -0.52 5.81 2.35 -1.51 0.48 115.58 123.44 3dfh h ASN 90 Ca 0.19 -0.06 0.04 0.00 -0.55 0.00 0.00 56.30 55.92 3dfh h ASN 90 Cb 0.39 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.63 3dfh h ASN 90 CO 0.01 0.30 0.27 0.00 -1.65 0.00 0.00 177.43 176.36 3dfh h ALA 91 N 1.05 0.67 -0.33 -0.83 0.00 -1.18 -2.30 119.26 116.34 3dfh h ALA 91 Ca 0.10 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 3dfh h ALA 91 Cb 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3dfh h ALA 91 CO -0.02 -0.07 -0.36 0.82 0.00 0.00 0.00 179.25 179.63 3dfh h ILE 92 N 0.53 1.28 -0.72 0.00 2.04 -0.65 -3.11 117.51 116.89 3dfh h ILE 92 Ca 0.23 -1.52 -0.00 0.00 1.00 0.00 0.00 64.86 64.57 3dfh h ILE 92 Cb 0.13 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 3dfh h ILE 92 CO -0.15 0.50 0.43 0.77 0.00 0.00 0.00 178.15 179.69 3dfh h SER 93 N 0.63 0.86 -0.64 1.72 4.64 0.49 0.70 113.55 121.95 3dfh h SER 93 Ca 0.06 -0.06 0.11 0.00 -0.47 0.00 0.00 61.79 61.43 3dfh h SER 93 Cb 0.90 -0.22 -0.08 0.00 -0.31 0.00 0.00 62.40 62.69 3dfh h SER 93 CO 0.08 0.67 0.19 1.23 -0.87 0.00 0.00 176.83 178.14 3dfh h GLY 94 N 0.98 0.88 0.84 -0.77 0.00 -1.43 0.27 103.07 103.83 3dfh h GLY 94 Ca 0.26 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 3dfh h GLY 94 CO -0.05 -0.09 0.03 -2.08 0.00 0.00 0.00 176.54 174.36 3dfh h VAL 95 N 0.34 1.17 -0.50 4.60 2.07 -1.34 -2.11 116.25 120.48 3dfh h VAL 95 Ca 0.34 -0.51 0.07 0.00 0.82 0.00 0.00 66.70 67.41 3dfh h VAL 95 Cb 0.48 1.34 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 3dfh h VAL 95 CO -0.38 0.15 0.18 -0.78 0.02 0.00 0.00 177.57 176.76 3dfh h ASP 96 N -0.03 0.18 -0.57 0.57 1.82 -0.46 0.25 116.42 118.18 3dfh h ASP 96 Ca 0.03 0.06 -0.04 0.00 -0.39 0.00 0.00 57.03 56.69 3dfh h ASP 96 Cb 0.21 0.04 -0.02 0.00 0.68 0.00 0.00 39.33 40.24 3dfh h ASP 96 CO -0.00 0.13 0.21 0.24 -1.61 0.00 0.00 179.24 178.21 3dfh h MET 97 N 0.36 0.86 -1.00 0.28 2.86 -0.46 -1.65 114.93 116.17 3dfh h MET 97 Ca 0.24 -0.17 0.05 0.00 -2.06 0.00 0.00 59.70 57.76 3dfh h MET 97 Cb 0.25 -0.13 -0.06 0.00 0.06 0.00 0.00 31.60 31.72 3dfh h MET 97 CO -0.24 0.75 0.65 0.00 1.06 0.00 0.00 176.91 179.13 3dfh h ALA 98 N 1.06 1.37 -0.44 6.32 0.00 -0.53 -1.17 119.26 125.87 3dfh h ALA 98 Ca 0.19 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 3dfh h ALA 98 Cb 0.23 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3dfh h ALA 98 CO -0.01 0.50 -0.27 -0.07 0.00 0.00 0.00 179.25 179.40 3dfh h LEU 99 N 1.23 0.99 -0.87 0.00 3.38 -0.10 0.34 115.31 120.28 3dfh h LEU 99 Ca 0.41 -0.42 0.03 0.00 0.09 0.00 0.00 57.88 57.99 3dfh h LEU 99 Cb 0.08 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 3dfh h LEU 99 CO -0.15 1.20 0.56 -0.50 0.09 0.00 0.00 178.44 179.65 3dfh h TRP 100 N 0.79 1.06 -0.09 1.13 4.06 -1.06 -0.65 115.95 121.20 3dfh h TRP 100 Ca 0.09 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.07 3dfh h TRP 100 Cb 0.85 -0.35 -0.00 0.00 -1.00 0.00 0.00 29.16 28.65 3dfh h TRP 100 CO 0.06 0.63 0.06 0.22 -3.56 0.00 0.00 178.44 175.84 3dfh h ASP 101 N 1.11 0.10 -0.08 -3.49 3.58 -0.97 0.12 116.42 116.79 3dfh h ASP 101 Ca 0.34 -0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.82 3dfh h ASP 101 Cb -0.04 -0.02 -0.05 0.00 1.72 0.00 0.00 39.33 40.94 3dfh h ASP 101 CO -0.10 0.07 -0.20 0.40 -2.88 0.00 0.00 179.24 176.53 3dfh h ILE 102 N 0.12 0.50 -0.52 2.25 2.04 -0.75 0.18 117.51 121.32 3dfh h ILE 102 Ca 0.03 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.96 3dfh h ILE 102 Cb -0.01 0.50 -0.06 0.00 -0.74 0.00 0.00 36.82 36.51 3dfh h ILE 102 CO -0.01 0.00 0.20 0.50 0.00 0.00 0.00 178.15 178.84 3dfh h LYS 103 N -0.28 0.37 -0.78 2.37 3.64 -0.73 0.37 116.57 121.53 3dfh h LYS 103 Ca 0.08 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3dfh h LYS 103 Cb 0.40 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.10 3dfh h LYS 103 CO -0.25 0.25 0.41 0.00 -2.27 0.00 0.00 179.45 177.59 3dfh h ALA 104 N 1.34 1.00 -0.38 5.00 0.00 -0.36 0.84 119.26 126.69 3dfh h ALA 104 Ca 0.25 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3dfh h ALA 104 Cb 0.26 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3dfh h ALA 104 CO -0.24 0.52 0.13 0.87 0.00 0.00 0.00 179.25 180.53 3dfh h LYS 105 N 1.08 0.59 -0.93 0.00 1.57 -0.56 -1.24 116.57 117.08 3dfh h LYS 105 Ca 0.27 -0.12 0.03 0.00 -1.87 0.00 0.00 60.65 58.96 3dfh h LYS 105 Cb 0.06 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.23 3dfh h LYS 105 CO -0.04 0.58 0.61 -0.07 -0.57 0.00 0.00 179.45 179.96 3dfh h LEU 106 N 0.47 1.03 -0.11 2.94 3.38 -0.73 0.07 115.31 122.36 3dfh h LEU 106 Ca 0.13 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3dfh h LEU 106 Cb 0.23 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3dfh h LEU 106 CO -0.01 0.72 0.00 0.00 0.09 0.00 0.00 178.44 179.24 3dfh n ALA 107 N -2.39 1.68 -3.11 1.53 0.00 0.27 -4.91 120.51 113.58 3dfh n ALA 107 Ca 0.12 -0.03 -0.23 0.00 0.00 0.00 0.00 53.44 53.30 3dfh n ALA 107 Cb 0.07 -1.26 0.03 0.00 0.00 0.00 0.00 19.45 18.29 3dfh n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dfh n GLY 108 N 0.04 -0.52 3.05 0.00 0.00 0.01 -5.02 105.19 102.75 3dfh n GLY 108 Ca 0.03 0.13 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 3dfh n GLY 108 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3dfh s MET 109 N -5.79 0.49 0.56 1.61 0.23 -0.70 -4.80 119.30 110.90 3dfh s MET 109 Ca 0.34 -0.91 -0.19 0.00 -1.03 0.00 0.00 55.69 53.89 3dfh s MET 109 Cb -0.15 0.07 -0.07 0.00 -1.53 0.00 0.00 34.83 33.15 3dfh s MET 109 CO 0.42 -0.06 0.84 -2.30 -2.03 0.00 0.00 175.02 171.89 3dfh n PRO 110 N 0.91 0.86 -0.24 3.16 -0.02 -1.18 -1.39 135.00 137.10 3dfh n PRO 110 Ca -0.19 0.33 0.05 0.00 -2.02 0.00 0.00 63.50 61.66 3dfh n PRO 110 Cb 0.58 -2.00 0.17 0.00 -0.02 0.00 0.00 33.50 32.22 3dfh n PRO 110 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3dfh h LEU 111 N 0.61 -0.03 -2.30 2.45 5.85 -1.37 -0.66 115.31 119.85 3dfh h LEU 111 Ca -0.47 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 3dfh h LEU 111 Cb 1.37 0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.61 3dfh h LEU 111 CO 0.51 -0.05 -0.05 1.12 -0.34 0.00 0.00 178.44 179.63 3dfh h HIS 112 N 0.25 0.00 0.00 1.25 2.07 -1.87 -1.66 115.15 115.19 3dfh h HIS 112 Ca 0.40 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.71 3dfh h HIS 112 Cb 0.67 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.62 3dfh h HIS 112 CO -0.28 0.05 -0.97 1.96 -3.07 0.00 0.00 177.93 175.62 3dfh h GLN 113 N 0.00 0.01 -0.82 5.12 1.08 -1.43 -0.56 115.11 118.51 3dfh h GLN 113 Ca -0.00 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.15 3dfh h GLN 113 Cb 0.16 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.56 3dfh h GLN 113 CO 0.01 0.97 0.40 1.25 -0.95 0.00 0.00 178.83 180.51 3dfh h LEU 114 N 0.00 1.06 -1.92 1.46 5.85 -1.10 -1.62 115.31 119.06 3dfh h LEU 114 Ca -0.01 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 3dfh h LEU 114 Cb 1.70 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 42.45 3dfh h LEU 114 CO 0.13 0.89 0.04 -0.26 -0.34 0.00 0.00 178.44 178.90 3dfh h PHE 115 N 1.16 0.09 0.00 1.25 0.04 -1.27 -3.45 116.94 114.76 3dfh h PHE 115 Ca 0.28 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.05 3dfh h PHE 115 Cb 0.10 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.22 3dfh h PHE 115 CO 0.01 0.06 0.00 0.41 -0.60 0.00 0.00 178.31 178.20 3dfh n GLY 116 N -1.51 -0.48 0.00 -1.45 0.00 -0.61 -5.11 105.19 96.03 3dfh n GLY 116 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3dfh n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dfh n GLY 117 N 0.00 1.19 3.78 -0.02 0.00 -0.24 -4.98 105.19 104.92 3dfh n GLY 117 Ca 0.00 -2.26 -0.39 0.00 0.00 0.00 0.00 46.02 43.37 3dfh n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dfh s LYS 118 N -1.23 4.26 0.05 1.61 1.02 -1.26 -4.31 119.74 119.89 3dfh s LYS 118 Ca 0.00 0.72 0.24 0.00 0.02 0.00 0.00 55.97 56.95 3dfh s LYS 118 Cb 0.00 -3.30 0.33 0.00 -0.52 0.00 0.00 37.83 34.34 3dfh s LYS 118 CO 0.00 0.47 1.28 0.43 -0.92 0.00 0.00 175.35 176.62 3dfh n SER 119 N 2.35 0.60 -3.53 2.83 7.64 0.33 -4.94 113.62 118.90 3dfh n SER 119 Ca -0.08 -0.14 -0.09 0.00 1.01 0.00 0.00 58.87 59.57 3dfh n SER 119 Cb 0.51 0.36 -0.02 0.00 -1.01 0.00 0.00 64.21 64.05 3dfh n SER 119 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dfh s ARG 120 N -3.10 1.15 0.22 1.43 1.70 -1.13 -5.05 118.95 114.16 3dfh s ARG 120 Ca 0.08 -0.48 0.11 0.00 -0.47 0.00 0.00 55.73 54.97 3dfh s ARG 120 Cb 0.15 0.49 0.03 0.00 -0.57 0.00 0.00 34.95 35.05 3dfh s ARG 120 CO 0.73 -0.51 1.41 -0.44 -1.08 0.00 0.00 175.30 175.42 3dfh h ASP 121 N 2.00 0.00 -4.95 -2.89 3.32 -1.95 -3.46 116.42 108.50 3dfh h ASP 121 Ca -0.27 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 3dfh h ASP 121 Cb 1.27 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.69 3dfh h ASP 121 CO 0.32 0.73 0.24 0.00 -1.72 0.00 0.00 179.24 178.82 3dfh s ALA 122 N -2.97 -1.65 -0.07 3.45 0.00 -1.26 -4.60 121.76 114.66 3dfh s ALA 122 Ca 0.02 0.67 0.02 0.00 0.00 0.00 0.00 51.96 52.67 3dfh s ALA 122 Cb 0.09 0.70 -0.02 0.00 0.00 0.00 0.00 23.12 23.89 3dfh s ALA 122 CO 0.77 -0.70 -0.13 -1.50 0.00 0.00 0.00 175.76 174.20 3dfh s ILE 123 N -3.32 3.18 0.73 0.00 1.10 -0.59 -4.89 121.20 117.40 3dfh s ILE 123 Ca -0.00 -0.67 -0.14 0.00 -0.51 0.00 0.00 60.65 59.34 3dfh s ILE 123 Cb -0.01 -2.27 0.04 0.00 0.15 0.00 0.00 42.46 40.37 3dfh s ILE 123 CO -0.10 0.58 1.13 -2.84 -2.11 0.00 0.00 174.94 171.61 3dfh s PRO 124 N -0.55 2.33 -0.03 3.50 0.02 -1.26 -1.23 135.00 137.77 3dfh s PRO 124 Ca 0.08 1.45 0.07 0.00 0.02 0.00 0.00 61.00 62.62 3dfh s PRO 124 Cb -0.12 -1.89 -0.02 0.00 0.02 0.00 0.00 34.50 32.50 3dfh s PRO 124 CO 0.01 -1.63 -0.24 0.08 -0.33 0.00 0.00 177.00 174.89 3dfh s VAL 125 N -2.40 2.19 0.11 3.83 1.01 0.64 -0.17 120.40 125.60 3dfh s VAL 125 Ca 0.68 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 61.65 3dfh s VAL 125 Cb -0.22 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 3dfh s VAL 125 CO 0.47 0.58 0.05 -0.72 0.00 0.00 0.00 175.10 175.48 3dfh s TYR 126 N -0.55 3.07 0.10 5.22 -0.85 -0.03 -4.35 117.35 119.95 3dfh s TYR 126 Ca 0.08 0.00 0.00 0.00 -0.52 0.00 0.00 57.07 56.64 3dfh s TYR 126 Cb -0.11 -1.55 0.00 0.00 0.38 0.00 0.00 41.96 40.69 3dfh s TYR 126 CO -0.00 0.50 0.04 0.25 -1.52 0.00 0.00 175.55 174.82 3dfh n THR 127 N 0.32 0.00 -3.88 -3.49 -2.24 -1.02 -0.86 114.28 103.11 3dfh n THR 127 Ca -0.10 -0.41 -0.28 0.00 -2.27 0.00 0.00 64.05 60.99 3dfh n THR 127 Cb 0.52 -0.19 -0.16 0.00 -2.10 0.00 0.00 70.33 68.40 3dfh n THR 127 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3dfh s HIS 128 N -0.87 1.65 -0.43 4.78 0.09 -1.26 -0.51 115.29 118.72 3dfh s HIS 128 Ca 0.03 -1.04 -0.01 0.00 -0.00 0.00 0.00 55.06 54.04 3dfh s HIS 128 Cb -0.00 -1.29 0.12 0.00 -0.00 0.00 0.00 32.58 31.41 3dfh s HIS 128 CO 0.02 -0.61 0.21 0.00 -0.00 0.00 0.00 174.74 174.36 3dfh s ALA 129 N 1.65 3.17 -0.13 -1.40 0.00 0.10 -4.95 121.76 120.21 3dfh s ALA 129 Ca 0.01 -2.71 0.01 0.00 0.00 0.00 0.00 51.96 49.27 3dfh s ALA 129 Cb -0.15 -2.32 -0.01 0.00 0.00 0.00 0.00 23.12 20.64 3dfh s ALA 129 CO -0.08 -1.84 -0.17 0.99 0.00 0.00 0.00 175.76 174.66 3dfh s THR 130 N 0.77 2.62 0.16 0.00 2.01 -1.26 -1.83 115.64 118.11 3dfh s THR 130 Ca 0.11 -0.81 -0.15 0.00 0.31 0.00 0.00 61.69 61.15 3dfh s THR 130 Cb -0.22 -2.08 0.02 0.00 0.01 0.00 0.00 72.50 70.24 3dfh s THR 130 CO -0.05 0.53 0.43 -0.55 -0.69 0.00 0.00 174.62 174.29 3dfh s SER 131 N 0.52 -0.18 0.00 3.53 0.15 -0.76 -4.93 113.70 112.04 3dfh s SER 131 Ca -0.11 -0.52 0.28 0.00 0.70 0.00 0.00 55.95 56.30 3dfh s SER 131 Cb -0.16 0.51 1.09 0.00 -1.71 0.00 0.00 66.02 65.74 3dfh s SER 131 CO 0.04 -0.95 1.78 0.47 1.20 0.00 0.00 173.24 175.78 3dfh n ASP 132 N -0.27 0.55 -4.20 5.45 10.43 -1.26 -0.93 116.55 126.32 3dfh n ASP 132 Ca -0.11 -0.55 -0.12 0.00 2.57 0.00 0.00 54.79 56.58 3dfh n ASP 132 Cb 0.63 -0.04 -0.10 0.00 1.84 0.00 0.00 41.12 43.45 3dfh n ASP 132 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 3dfh s THR 133 N -2.55 0.88 0.14 -3.53 -4.23 -1.26 -4.71 115.64 100.37 3dfh s THR 133 Ca 0.26 -1.95 -0.16 0.00 -1.18 0.00 0.00 61.69 58.66 3dfh s THR 133 Cb 0.20 -1.71 -0.00 0.00 1.34 0.00 0.00 72.50 72.33 3dfh s THR 133 CO 0.50 -0.80 1.69 0.24 -0.54 0.00 0.00 174.62 175.71 3dfh h MET 134 N 2.95 0.61 -0.62 3.99 2.86 -2.00 -2.68 114.93 120.04 3dfh h MET 134 Ca -0.36 -0.11 0.13 0.00 -2.06 0.00 0.00 59.70 57.30 3dfh h MET 134 Cb 1.18 -0.10 -0.10 0.00 0.06 0.00 0.00 31.60 32.63 3dfh h MET 134 CO 0.63 0.57 0.00 0.93 1.06 0.00 0.00 176.91 180.10 3dfh h GLU 135 N 0.52 0.12 -0.02 1.72 4.39 -1.99 0.11 114.58 119.43 3dfh h GLU 135 Ca 0.14 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.79 3dfh h GLU 135 Cb 0.18 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 3dfh h GLU 135 CO -0.01 0.08 -0.17 0.78 -1.16 0.00 0.00 179.01 178.53 3dfh h GLY 136 N 0.12 0.03 0.92 -3.84 0.00 -1.90 -1.40 103.07 96.99 3dfh h GLY 136 Ca 0.32 -0.02 -0.13 0.00 0.00 0.00 0.00 47.33 47.51 3dfh h GLY 136 CO -0.53 0.02 -0.36 -2.22 0.00 0.00 0.00 176.54 173.44 3dfh h ILE 137 N 0.03 1.33 -0.50 2.60 2.04 -0.52 -2.63 117.51 119.85 3dfh h ILE 137 Ca 0.00 -1.59 0.04 0.00 1.00 0.00 0.00 64.86 64.32 3dfh h ILE 137 Cb 0.31 1.84 -0.04 0.00 -0.74 0.00 0.00 36.82 38.20 3dfh h ILE 137 CO 0.02 0.49 0.25 1.88 0.00 0.00 0.00 178.15 180.80 3dfh h TYR 138 N 0.28 0.46 -0.64 1.37 0.05 -0.59 0.12 116.97 118.03 3dfh h TYR 138 Ca 0.01 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.82 3dfh h TYR 138 Cb 0.96 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 38.53 3dfh h TYR 138 CO 0.09 0.23 0.42 -0.44 -1.05 0.00 0.00 178.16 177.41 3dfh h ASP 139 N 0.50 0.73 -0.22 3.88 3.32 -1.26 -0.07 116.42 123.29 3dfh h ASP 139 Ca 0.22 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.20 3dfh h ASP 139 Cb 0.12 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3dfh h ASP 139 CO -0.15 0.53 -0.05 -0.07 -1.72 0.00 0.00 179.24 177.78 3dfh h LEU 140 N 0.86 0.43 -0.50 1.55 3.38 -1.05 -2.55 115.31 117.43 3dfh h LEU 140 Ca 0.24 -0.36 0.07 0.00 0.09 0.00 0.00 57.88 57.92 3dfh h LEU 140 Cb -0.09 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.49 3dfh h LEU 140 CO -0.06 0.69 0.18 0.58 0.09 0.00 0.00 178.44 179.92 3dfh h VAL 141 N 0.16 0.82 -0.54 1.22 2.07 -0.45 -1.74 116.25 117.80 3dfh h VAL 141 Ca 0.06 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 3dfh h VAL 141 Cb 0.50 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3dfh h VAL 141 CO 0.02 0.06 0.07 -0.33 0.02 0.00 0.00 177.57 177.41 3dfh h GLU 142 N 0.35 0.86 -0.42 1.57 5.08 -0.95 0.22 114.58 121.29 3dfh h GLU 142 Ca 0.24 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3dfh h GLU 142 Cb 0.26 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 3dfh h GLU 142 CO -0.25 0.82 0.22 0.78 -1.00 0.00 0.00 179.01 179.58 3dfh h GLY 143 N 0.99 0.64 1.02 -3.84 0.00 -1.00 -1.89 103.07 98.99 3dfh h GLY 143 Ca 0.17 -0.30 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 3dfh h GLY 143 CO 0.01 0.29 -0.02 0.74 0.00 0.00 0.00 176.54 177.56 3dfh h PHE 144 N 0.54 0.98 -0.61 5.60 0.04 -0.36 -2.63 116.94 120.51 3dfh h PHE 144 Ca 0.15 -0.18 0.07 0.00 2.80 0.00 0.00 57.97 60.81 3dfh h PHE 144 Cb 0.08 -0.25 -0.06 0.00 2.20 0.00 0.00 35.95 37.91 3dfh h PHE 144 CO -0.02 0.92 0.29 -0.07 -0.60 0.00 0.00 178.31 178.84 3dfh h LEU 145 N 0.76 0.38 -1.83 1.54 3.38 -0.46 -2.07 115.31 117.01 3dfh h LEU 145 Ca 0.14 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3dfh h LEU 145 Cb 0.55 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 3dfh h LEU 145 CO 0.03 0.24 -0.09 -0.33 0.09 0.00 0.00 178.44 178.37 3dfh h GLU 146 N 0.53 0.00 -0.01 1.13 5.08 -0.99 0.16 114.58 120.48 3dfh h GLU 146 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3dfh h GLU 146 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3dfh h GLU 146 CO -0.23 0.09 0.00 1.63 -1.00 0.00 0.00 179.01 179.50 3dfh n LYS 147 N -4.39 1.14 -0.45 2.33 4.01 -0.80 -4.93 118.16 115.07 3dfh n LYS 147 Ca -0.03 -0.20 0.00 0.00 -0.51 0.00 0.00 58.31 57.57 3dfh n LYS 147 Cb 0.17 -1.46 0.00 0.00 -0.51 0.00 0.00 35.03 33.23 3dfh n LYS 147 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3dfh n GLY 148 N 1.00 0.73 3.76 0.72 0.00 0.57 -4.05 105.19 107.92 3dfh n GLY 148 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 3dfh n GLY 148 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dfh s TYR 149 N -2.83 2.58 0.00 1.61 2.02 -1.10 -3.77 117.35 115.86 3dfh s TYR 149 Ca 0.00 1.37 0.00 0.00 -0.37 0.00 0.00 57.07 58.07 3dfh s TYR 149 Cb 0.00 -3.74 0.00 0.00 -0.40 0.00 0.00 41.96 37.82 3dfh s TYR 149 CO 0.00 -2.48 0.42 1.63 -1.57 0.00 0.00 175.55 173.55 3dfh n LYS 150 N -0.33 -0.68 -3.97 -0.62 4.76 -1.26 -4.47 118.16 111.58 3dfh n LYS 150 Ca 0.06 -0.43 -0.16 0.00 -2.87 0.00 0.00 58.31 54.91 3dfh n LYS 150 Cb 0.44 -0.90 -0.15 0.00 -1.84 0.00 0.00 35.03 32.57 3dfh n LYS 150 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3dfh s HIS 151 N -0.03 0.31 -0.03 2.13 3.76 -1.26 -0.68 115.29 119.48 3dfh s HIS 151 Ca 0.00 -0.02 -0.01 0.00 -0.15 0.00 0.00 55.06 54.87 3dfh s HIS 151 Cb 0.00 -0.33 0.02 0.00 1.11 0.00 0.00 32.58 33.38 3dfh s HIS 151 CO 0.00 -0.09 0.07 0.42 -0.85 0.00 0.00 174.74 174.29 3dfh s ILE 152 N 0.63 -0.03 -0.22 0.60 1.01 -0.57 -2.44 121.20 120.18 3dfh s ILE 152 Ca -0.06 0.13 -0.24 0.00 0.00 0.00 0.00 60.65 60.48 3dfh s ILE 152 Cb -0.09 -0.12 -0.01 0.00 0.01 0.00 0.00 42.46 42.24 3dfh s ILE 152 CO -0.01 0.05 0.77 -0.60 0.00 0.00 0.00 174.94 175.15 3dfh s ARG 153 N 0.71 4.20 -0.15 2.79 3.52 0.33 -1.42 118.95 128.93 3dfh s ARG 153 Ca -0.06 0.85 0.02 0.00 -0.13 0.00 0.00 55.73 56.42 3dfh s ARG 153 Cb -0.08 -3.62 0.01 0.00 -1.56 0.00 0.00 34.95 29.70 3dfh s ARG 153 CO -0.03 -0.43 -0.20 0.00 -0.81 0.00 0.00 175.30 173.83 3dfh s GLN 155 N 0.89 1.93 -0.51 0.00 -1.52 -0.76 -4.63 119.66 115.06 3dfh s GLN 155 Ca -0.05 -0.46 -0.18 0.00 -1.95 0.00 0.00 55.36 52.72 3dfh s GLN 155 Cb -0.15 -1.68 0.07 0.00 -0.22 0.00 0.00 33.01 31.03 3dfh s GLN 155 CO -0.03 -0.07 0.58 -1.17 -0.25 0.00 0.00 175.29 174.35 3dfh s LEU 156 N 1.00 5.21 0.00 2.90 2.96 -1.26 -1.83 118.68 127.66 3dfh s LEU 156 Ca -0.07 -1.10 0.00 0.00 -0.22 0.00 0.00 54.13 52.73 3dfh s LEU 156 Cb -0.15 -2.36 0.00 0.00 0.50 0.00 0.00 46.19 44.18 3dfh s LEU 156 CO -0.01 -0.87 0.00 0.61 -1.32 0.00 0.00 176.35 174.76 3dfh n GLY 157 N 5.20 0.60 0.00 7.98 0.00 -0.10 -4.90 105.19 113.96 3dfh n GLY 157 Ca -0.08 -1.21 0.04 0.00 0.00 0.00 0.00 46.02 44.76 3dfh n GLY 157 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dfh n PHE 158 N 2.42 0.00 0.00 1.61 3.72 -1.26 -4.88 117.46 119.07 3dfh n PHE 158 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3dfh n PHE 158 Cb 0.00 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.28 3dfh n PHE 158 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3dfh n ASP 179 N -1.26 0.00 0.04 4.37 2.03 -1.26 -5.17 116.55 115.29 3dfh n ASP 179 Ca 0.04 0.71 -0.04 0.00 0.52 0.00 0.00 54.79 56.01 3dfh n ASP 179 Cb 0.05 -0.44 0.18 0.00 -0.72 0.00 0.00 41.12 40.19 3dfh n ASP 179 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 3dfh h GLN 180 N 0.00 0.42 -0.25 -0.67 4.20 -1.98 -1.93 115.11 114.89 3dfh h GLN 180 Ca 0.00 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.47 3dfh h GLN 180 Cb 0.00 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3dfh h GLN 180 CO 0.00 0.72 -0.03 -0.44 -0.67 0.00 0.00 178.83 178.41 3dfh h ASP 181 N 0.35 0.47 -0.66 1.46 3.32 -1.99 0.63 116.42 120.01 3dfh h ASP 181 Ca 0.04 -0.34 -0.05 0.00 0.02 0.00 0.00 57.03 56.70 3dfh h ASP 181 Cb 0.80 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.20 3dfh h ASP 181 CO 0.06 0.70 0.22 -0.61 -1.72 0.00 0.00 179.24 177.89 3dfh h GLN 182 N 0.23 1.01 -0.59 3.56 4.15 -1.99 0.20 115.11 121.68 3dfh h GLN 182 Ca 0.07 -0.21 -0.00 0.00 0.77 0.00 0.00 58.65 59.27 3dfh h GLN 182 Cb 0.48 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.99 3dfh h GLN 182 CO 0.02 0.88 0.35 -0.92 -1.93 0.00 0.00 178.83 177.23 3dfh h TYR 183 N 0.95 0.78 -0.27 3.99 3.20 -1.18 0.08 116.97 124.52 3dfh h TYR 183 Ca 0.21 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.07 3dfh h TYR 183 Cb 0.28 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 3dfh h TYR 183 CO 0.02 0.54 0.12 0.52 -1.64 0.00 0.00 178.16 177.72 3dfh h MET 184 N 0.80 0.40 -0.81 1.82 2.86 -0.47 -0.84 114.93 118.69 3dfh h MET 184 Ca 0.21 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 3dfh h MET 184 Cb -0.01 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.54 3dfh h MET 184 CO -0.04 0.40 0.45 -0.44 1.06 0.00 0.00 176.91 178.34 3dfh h ASP 185 N 0.30 1.01 -0.46 1.22 5.19 -0.79 -0.91 116.42 121.98 3dfh h ASP 185 Ca 0.09 -0.09 -0.12 0.00 -0.62 0.00 0.00 57.03 56.29 3dfh h ASP 185 Cb 0.14 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.38 3dfh h ASP 185 CO -0.01 0.81 -0.17 0.78 -3.12 0.00 0.00 179.24 177.53 3dfh h ASN 186 N 1.12 0.94 -0.61 6.45 -0.26 -0.84 0.18 115.58 122.57 3dfh h ASN 186 Ca 0.29 -0.38 -0.09 0.00 -0.56 0.00 0.00 56.30 55.55 3dfh h ASN 186 Cb 0.02 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.00 3dfh h ASN 186 CO -0.05 1.11 0.04 0.74 -1.06 0.00 0.00 177.43 178.22 3dfh h THR 187 N 0.77 1.26 -0.19 2.81 2.02 -0.90 0.32 112.91 119.00 3dfh h THR 187 Ca 0.11 -1.10 -0.16 0.00 0.77 0.00 0.00 66.41 66.03 3dfh h THR 187 Cb 0.73 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 3dfh h THR 187 CO 0.06 0.40 -0.54 -0.07 0.37 0.00 0.00 175.52 175.74 3dfh h LEU 188 N 0.98 0.63 -0.30 2.58 3.38 -0.90 -1.19 115.31 120.48 3dfh h LEU 188 Ca 0.18 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3dfh h LEU 188 Cb 0.51 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3dfh h LEU 188 CO 0.02 1.04 0.18 0.74 0.09 0.00 0.00 178.44 180.51 3dfh h THR 189 N 0.43 1.11 -0.28 0.22 2.02 -0.58 -0.53 112.91 115.31 3dfh h THR 189 Ca 0.01 -0.26 0.07 0.00 0.77 0.00 0.00 66.41 67.00 3dfh h THR 189 Cb 1.08 0.74 -0.08 0.00 -1.74 0.00 0.00 68.15 68.16 3dfh h THR 189 CO 0.10 0.11 -0.28 -0.03 0.37 0.00 0.00 175.52 175.79 3dfh h MET 190 N 0.38 -0.26 0.06 6.66 1.85 0.07 0.70 114.93 124.38 3dfh h MET 190 Ca 0.11 0.02 0.02 0.00 -0.61 0.00 0.00 59.70 59.23 3dfh h MET 190 Cb 0.02 0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.08 3dfh h MET 190 CO -0.02 -0.17 -0.15 0.74 -0.40 0.00 0.00 176.91 176.91 3dfh h PHE 191 N -0.27 -0.38 -0.63 1.39 0.04 -1.07 -0.25 116.94 115.78 3dfh h PHE 191 Ca 0.15 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.95 3dfh h PHE 191 Cb 0.50 0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.77 3dfh h PHE 191 CO -0.44 -0.22 0.39 -0.22 -0.60 0.00 0.00 178.31 177.22 3dfh h LYS 192 N -0.27 0.74 -0.74 1.51 3.64 -0.87 -1.68 116.57 118.89 3dfh h LYS 192 Ca 0.03 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 3dfh h LYS 192 Cb 0.31 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 3dfh h LYS 192 CO -0.10 0.49 0.22 0.77 -2.27 0.00 0.00 179.45 178.56 3dfh h SER 193 N 0.76 1.08 -0.43 4.20 0.02 -0.53 -1.61 113.55 117.04 3dfh h SER 193 Ca 0.26 -0.21 -0.13 0.00 -0.84 0.00 0.00 61.79 60.87 3dfh h SER 193 Cb 0.03 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 3dfh h SER 193 CO -0.11 1.01 -0.21 -0.07 -1.14 0.00 0.00 176.83 176.31 3dfh h LEU 194 N 1.10 0.96 -0.49 5.07 3.38 -0.60 0.44 115.31 125.17 3dfh h LEU 194 Ca 0.24 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3dfh h LEU 194 Cb 0.32 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3dfh h LEU 194 CO -0.01 1.13 0.24 0.03 0.09 0.00 0.00 178.44 179.93 3dfh h ARG 195 N 0.81 0.70 -0.14 1.13 2.47 -1.27 0.29 114.38 118.38 3dfh h ARG 195 Ca 0.11 -0.10 0.01 0.00 -1.26 0.00 0.00 59.98 58.74 3dfh h ARG 195 Cb 0.77 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.95 3dfh h ARG 195 CO 0.06 0.58 0.04 0.93 0.56 0.00 0.00 179.97 182.14 3dfh h GLU 196 N 0.64 0.11 -0.05 0.04 5.08 -0.46 0.53 114.58 120.48 3dfh h GLU 196 Ca 0.17 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 3dfh h GLU 196 Cb 0.11 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3dfh h GLU 196 CO -0.02 0.07 -0.16 -0.22 -1.00 0.00 0.00 179.01 177.68 3dfh h LYS 197 N 0.11 0.19 -0.01 2.33 3.64 -0.06 -3.39 116.57 119.38 3dfh h LYS 197 Ca 0.06 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3dfh h LYS 197 Cb 0.04 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3dfh h LYS 197 CO -0.06 0.77 -0.14 0.66 -2.27 0.00 0.00 179.45 178.41 3dfh n TYR 198 N -4.60 0.00 0.00 1.91 4.01 0.10 -5.06 117.16 113.52 3dfh n TYR 198 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 3dfh n TYR 198 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 3dfh n TYR 198 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dfh n GLY 199 N 0.78 3.46 1.21 2.72 0.00 0.19 -1.11 105.19 112.44 3dfh n GLY 199 Ca 0.04 0.20 0.08 0.00 0.00 0.00 0.00 46.02 46.35 3dfh n GLY 199 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dfh n ASN 200 N 5.94 4.45 -0.30 1.61 3.02 -1.26 -4.60 115.26 124.13 3dfh n ASN 200 Ca 0.00 -2.93 0.30 0.00 -0.03 0.00 0.00 54.58 51.92 3dfh n ASN 200 Cb 0.00 -0.58 0.68 0.00 -0.61 0.00 0.00 39.78 39.27 3dfh n ASN 200 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3dfh h GLN 201 N 2.57 0.11 -3.55 3.52 4.20 -1.53 -3.43 115.11 117.00 3dfh h GLN 201 Ca 0.00 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 3dfh h GLN 201 Cb 1.58 -0.03 -0.13 0.00 0.30 0.00 0.00 27.48 29.21 3dfh h GLN 201 CO 0.30 0.07 -0.16 -0.59 -0.67 0.00 0.00 178.83 177.78 3dfh s PHE 202 N -5.11 -0.01 0.07 2.96 -0.71 -1.26 -4.85 117.98 109.06 3dfh s PHE 202 Ca -0.06 -0.34 -0.24 0.00 -1.04 0.00 0.00 56.93 55.25 3dfh s PHE 202 Cb 0.23 0.16 -0.06 0.00 -1.21 0.00 0.00 43.02 42.14 3dfh s PHE 202 CO 0.80 -0.71 0.74 -1.01 -1.34 0.00 0.00 175.22 173.71 3dfh s HIS 203 N -3.85 3.78 -0.24 3.49 3.76 0.14 -4.98 115.29 117.38 3dfh s HIS 203 Ca 0.07 1.48 -0.07 0.00 -0.15 0.00 0.00 55.06 56.38 3dfh s HIS 203 Cb 0.02 -2.77 -0.03 0.00 1.11 0.00 0.00 32.58 30.91 3dfh s HIS 203 CO -0.08 0.35 0.07 0.42 -0.85 0.00 0.00 174.74 174.65 3dfh s ILE 204 N -0.37 4.39 0.15 0.60 1.01 -1.26 -1.51 121.20 124.20 3dfh s ILE 204 Ca 0.37 -0.15 0.04 0.00 0.00 0.00 0.00 60.65 60.91 3dfh s ILE 204 Cb -0.21 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 3dfh s ILE 204 CO 0.23 0.35 0.15 -0.76 0.00 0.00 0.00 174.94 174.91 3dfh s LEU 205 N 1.43 3.90 -0.14 2.97 1.02 -0.51 -0.77 118.68 126.58 3dfh s LEU 205 Ca 0.05 -0.06 -0.13 0.00 0.02 0.00 0.00 54.13 54.02 3dfh s LEU 205 Cb -0.15 -2.51 0.04 0.00 0.02 0.00 0.00 46.19 43.59 3dfh s LEU 205 CO 0.04 0.09 0.37 -2.28 0.02 0.00 0.00 176.35 174.58 3dfh s HIS 206 N -1.68 -0.40 -0.27 0.29 2.46 -1.07 -0.85 115.29 113.76 3dfh s HIS 206 Ca 0.31 0.99 -0.06 0.00 0.47 0.00 0.00 55.06 56.77 3dfh s HIS 206 Cb -0.11 0.14 -0.00 0.00 -0.13 0.00 0.00 32.58 32.48 3dfh s HIS 206 CO 0.24 -0.20 0.05 0.34 -2.47 0.00 0.00 174.74 172.71 3dfh s ASP 207 N 0.21 4.95 0.35 9.88 -1.08 -1.26 -0.05 116.67 129.67 3dfh s ASP 207 Ca -0.00 -0.52 0.26 0.00 -0.52 0.00 0.00 52.55 51.77 3dfh s ASP 207 Cb -0.03 -1.86 0.77 0.00 -1.46 0.00 0.00 42.92 40.35 3dfh s ASP 207 CO 0.00 -0.12 1.75 0.58 0.52 0.00 0.00 175.17 177.90 3dfh h VAL 208 N 5.76 0.00 -5.04 1.11 2.07 -0.84 -3.47 116.25 115.84 3dfh h VAL 208 Ca -0.35 -0.62 -0.40 0.00 0.82 0.00 0.00 66.70 66.14 3dfh h VAL 208 Cb 1.15 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 3dfh h VAL 208 CO 0.60 0.00 -0.60 1.41 0.02 0.00 0.00 177.57 178.99 3dfh n HIS 209 N -2.69 -1.97 -2.25 1.57 8.25 -1.22 -2.27 115.22 114.64 3dfh n HIS 209 Ca 0.04 0.55 -0.21 0.00 -0.26 0.00 0.00 57.72 57.84 3dfh n HIS 209 Cb 0.41 -3.91 -0.02 0.00 1.12 0.00 0.00 29.99 27.59 3dfh n HIS 209 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3dfh n GLU 210 N -4.01 -1.64 -0.08 -0.41 1.02 0.16 -4.87 120.64 110.81 3dfh n GLU 210 Ca -0.06 1.06 0.12 0.00 -0.02 0.00 0.00 57.16 58.26 3dfh n GLU 210 Cb 0.58 -5.68 0.32 0.00 -0.02 0.00 0.00 31.44 26.64 3dfh n GLU 210 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 3dfh n ARG 211 N -2.90 2.01 -4.33 3.49 1.85 -0.96 -4.56 116.66 111.25 3dfh n ARG 211 Ca -0.24 -1.51 -0.33 0.00 -1.00 0.00 0.00 57.85 54.77 3dfh n ARG 211 Cb 0.69 -1.45 -0.09 0.00 -1.05 0.00 0.00 32.46 30.55 3dfh n ARG 211 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3dfh s LEU 212 N -1.70 3.44 0.89 2.89 1.43 -1.26 -4.93 118.68 119.43 3dfh s LEU 212 Ca 0.34 -0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 53.31 3dfh s LEU 212 Cb 0.20 -1.95 0.12 0.00 0.03 0.00 0.00 46.19 44.59 3dfh s LEU 212 CO 0.30 0.29 1.10 -0.36 0.23 0.00 0.00 176.35 177.90 3dfh s PHE 213 N -1.04 2.16 0.22 0.29 0.08 -1.26 -4.19 117.98 114.24 3dfh s PHE 213 Ca 0.18 1.45 -0.07 0.00 0.12 0.00 0.00 56.93 58.62 3dfh s PHE 213 Cb -0.11 -3.16 0.19 0.00 -0.57 0.00 0.00 43.02 39.37 3dfh s PHE 213 CO 0.09 -2.44 1.80 -1.35 -0.10 0.00 0.00 175.22 173.22 3dfh h PRO 214 N -1.59 1.18 -0.56 0.24 0.11 -1.98 0.31 132.00 129.72 3dfh h PRO 214 Ca -0.47 -0.20 -0.03 0.00 0.11 0.00 0.00 66.00 65.40 3dfh h PRO 214 Cb 1.27 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 3dfh h PRO 214 CO 0.50 0.94 0.21 -2.95 -0.21 0.00 0.00 178.00 176.49 3dfh h ASN 215 N 1.16 0.74 -0.33 -2.05 -1.07 -2.00 -1.56 115.58 110.46 3dfh h ASN 215 Ca 0.27 -0.10 -0.11 0.00 0.07 0.00 0.00 56.30 56.43 3dfh h ASN 215 Cb 0.19 -0.19 -0.01 0.00 -2.07 0.00 0.00 38.32 36.24 3dfh h ASN 215 CO -0.03 0.68 -0.23 1.56 0.07 0.00 0.00 177.43 179.49 3dfh h GLN 216 N 0.80 0.74 -0.87 4.14 4.20 -1.65 -2.87 115.11 119.60 3dfh h GLN 216 Ca 0.19 -0.35 0.12 0.00 0.06 0.00 0.00 58.65 58.67 3dfh h GLN 216 Cb 0.18 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 27.87 3dfh h GLN 216 CO -0.02 0.97 0.49 0.00 -0.67 0.00 0.00 178.83 179.60 3dfh h ALA 217 N 0.76 1.29 -0.26 3.87 0.00 -0.57 0.14 119.26 124.48 3dfh h ALA 217 Ca 0.07 0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.84 3dfh h ALA 217 Cb 0.78 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3dfh h ALA 217 CO 0.06 0.04 -0.59 0.82 0.00 0.00 0.00 179.25 179.58 3dfh h ILE 218 N 0.76 1.27 -0.17 0.00 2.04 -1.26 -0.41 117.51 119.74 3dfh h ILE 218 Ca 0.45 -1.78 -0.03 0.00 1.00 0.00 0.00 64.86 64.50 3dfh h ILE 218 Cb 0.52 1.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 3dfh h ILE 218 CO -0.30 0.58 0.01 -0.61 0.00 0.00 0.00 178.15 177.82 3dfh h GLN 219 N 0.65 0.29 -0.74 2.37 4.15 -1.25 -2.30 115.11 118.28 3dfh h GLN 219 Ca 0.00 -0.09 0.09 0.00 0.77 0.00 0.00 58.65 59.42 3dfh h GLN 219 Cb 1.20 -0.03 -0.07 0.00 0.21 0.00 0.00 27.48 28.79 3dfh h GLN 219 CO 0.13 0.50 0.38 0.35 -1.93 0.00 0.00 178.83 178.26 3dfh h PHE 220 N 0.05 0.69 -0.98 3.99 3.57 -0.66 -1.14 116.94 122.46 3dfh h PHE 220 Ca 0.05 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.58 3dfh h PHE 220 Cb 0.36 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.86 3dfh h PHE 220 CO 0.03 0.26 0.62 0.00 -2.23 0.00 0.00 178.31 176.99 3dfh h ALA 221 N 1.43 1.25 -0.14 2.41 0.00 -0.88 0.61 119.26 123.93 3dfh h ALA 221 Ca 0.36 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 3dfh h ALA 221 Cb 0.36 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3dfh h ALA 221 CO -0.26 0.67 -0.53 0.87 0.00 0.00 0.00 179.25 180.00 3dfh h LYS 222 N 1.33 0.41 0.00 0.00 1.57 -0.87 -2.64 116.57 116.37 3dfh h LYS 222 Ca 0.35 -0.25 -0.22 0.00 -1.87 0.00 0.00 60.65 58.67 3dfh h LYS 222 Cb -0.10 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 3dfh h LYS 222 CO -0.07 0.84 -1.06 0.93 -0.57 0.00 0.00 179.45 179.52 3dfh h GLU 223 N 0.32 0.00 0.00 3.15 5.08 -0.81 -3.29 114.58 119.04 3dfh h GLU 223 Ca 0.01 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3dfh h GLU 223 Cb 1.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 3dfh h GLU 223 CO 0.09 0.96 -0.51 -0.24 -1.00 0.00 0.00 179.01 178.31 3dfh h VAL 224 N 0.00 0.13 -0.92 3.13 3.04 -0.95 -3.37 116.25 117.32 3dfh h VAL 224 Ca -0.03 -1.21 0.14 0.00 -1.01 0.00 0.00 66.70 64.59 3dfh h VAL 224 Cb 1.79 1.88 -0.15 0.00 -2.01 0.00 0.00 31.29 32.80 3dfh h VAL 224 CO 0.13 0.08 -0.39 -0.08 -1.01 0.00 0.00 177.57 176.29 3dfh h GLU 225 N 0.00 -0.03 -0.26 4.17 4.81 -1.53 0.14 114.58 121.87 3dfh h GLU 225 Ca -0.01 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.30 3dfh h GLU 225 Cb 1.09 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 3dfh h GLU 225 CO 0.01 -0.02 0.35 -0.56 -0.73 0.00 0.00 179.01 178.06 3dfh h GLN 226 N -0.03 0.00 -0.01 1.92 3.07 -1.80 0.16 115.11 118.43 3dfh h GLN 226 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.06 3dfh h GLN 226 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.14 3dfh h GLN 226 CO -0.93 0.00 -0.04 0.66 0.09 0.00 0.00 178.83 178.61 3dfh n TYR 227 N -3.56 0.00 -3.56 0.06 4.01 0.48 -4.95 117.16 109.64 3dfh n TYR 227 Ca 0.04 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.57 3dfh n TYR 227 Cb 0.49 -0.04 0.05 0.00 -0.31 0.00 0.00 39.34 39.53 3dfh n TYR 227 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3dfh n LYS 228 N -0.25 -4.07 -1.79 -0.72 5.02 0.58 -4.91 118.16 112.02 3dfh n LYS 228 Ca 0.18 0.68 -0.36 0.00 -2.02 0.00 0.00 58.31 56.80 3dfh n LYS 228 Cb 0.30 -5.26 0.06 0.00 -0.02 0.00 0.00 35.03 30.12 3dfh n LYS 228 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3dfh s PRO 229 N -5.56 2.66 0.13 1.97 0.04 -1.26 -4.73 135.00 128.25 3dfh s PRO 229 Ca 0.17 1.83 -0.18 0.00 0.04 0.00 0.00 61.00 62.86 3dfh s PRO 229 Cb -0.04 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 3dfh s PRO 229 CO 0.79 -1.45 1.78 -0.92 0.04 0.00 0.00 177.00 177.23 3dfh h TYR 230 N 0.45 0.40 -2.82 0.56 3.20 -1.30 -3.41 116.97 114.05 3dfh h TYR 230 Ca -0.50 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.37 3dfh h TYR 230 Cb 1.30 -0.13 -0.13 0.00 1.54 0.00 0.00 36.73 39.31 3dfh h TYR 230 CO 0.46 0.27 0.25 -0.59 -1.64 0.00 0.00 178.16 176.92 3dfh s PHE 231 N -6.07 -0.52 -0.19 -3.82 -0.12 -1.26 -4.75 117.98 101.25 3dfh s PHE 231 Ca -0.13 0.37 -0.04 0.00 -0.05 0.00 0.00 56.93 57.08 3dfh s PHE 231 Cb 0.10 0.55 -0.02 0.00 -0.63 0.00 0.00 43.02 43.01 3dfh s PHE 231 CO 0.71 -0.79 -0.02 0.42 -0.05 0.00 0.00 175.22 175.49 3dfh s ILE 232 N -3.47 3.79 0.08 -4.49 -1.09 -0.02 -2.59 121.20 113.42 3dfh s ILE 232 Ca 0.01 -0.37 -0.01 0.00 -2.23 0.00 0.00 60.65 58.05 3dfh s ILE 232 Cb -0.01 -2.70 -0.04 0.00 -1.58 0.00 0.00 42.46 38.13 3dfh s ILE 232 CO -0.11 0.45 0.25 -0.70 -1.23 0.00 0.00 174.94 173.59 3dfh s GLU 233 N 0.90 3.47 -1.38 2.79 2.12 0.93 -1.26 118.70 126.28 3dfh s GLU 233 Ca 0.00 -0.39 -0.08 0.00 0.36 0.00 0.00 54.97 54.87 3dfh s GLU 233 Cb -0.14 -3.00 0.00 0.00 0.26 0.00 0.00 34.13 31.25 3dfh s GLU 233 CO 0.02 0.58 0.40 -0.25 -0.54 0.00 0.00 175.26 175.46 3dfh n ASP 234 N 0.19 -1.22 0.18 -1.70 9.92 -0.87 -0.29 116.55 122.77 3dfh n ASP 234 Ca -0.05 -1.12 0.07 0.00 -0.53 0.00 0.00 54.79 53.17 3dfh n ASP 234 Cb 0.51 -2.55 0.14 0.00 -0.64 0.00 0.00 41.12 38.59 3dfh n ASP 234 CO 0.00 0.00 0.00 -0.29 0.13 0.00 0.00 177.20 177.04 3dfh h ILE 235 N -1.94 0.47 -3.53 0.53 2.10 -1.82 0.50 117.51 113.82 3dfh h ILE 235 Ca -0.65 -1.59 -0.67 0.00 1.08 0.00 0.00 64.86 63.02 3dfh h ILE 235 Cb 1.38 2.17 -0.20 0.00 -1.09 0.00 0.00 36.82 39.08 3dfh h ILE 235 CO 0.61 0.26 -0.84 -0.76 -1.08 0.00 0.00 178.15 176.34 3dfh s LEU 236 N -6.38 2.41 0.80 2.19 1.43 -1.26 -4.65 118.68 113.22 3dfh s LEU 236 Ca 0.05 -0.80 -0.15 0.00 -1.03 0.00 0.00 54.13 52.20 3dfh s LEU 236 Cb 0.07 -1.22 -0.02 0.00 0.03 0.00 0.00 46.19 45.04 3dfh s LEU 236 CO 0.70 0.15 0.42 -2.65 0.23 0.00 0.00 176.35 175.19 3dfh n PRO 237 N 0.57 0.10 -2.02 1.29 -0.02 -1.26 -4.61 135.00 129.04 3dfh n PRO 237 Ca -0.15 0.08 -0.30 0.00 -2.02 0.00 0.00 63.50 61.11 3dfh n PRO 237 Cb 0.54 -1.78 0.02 0.00 -0.02 0.00 0.00 33.50 32.26 3dfh n PRO 237 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3dfh s PRO 238 N -2.95 3.37 0.00 0.52 0.04 -1.26 -2.37 135.00 132.35 3dfh s PRO 238 Ca 0.61 0.55 0.00 0.00 0.04 0.00 0.00 61.00 62.20 3dfh s PRO 238 Cb -0.30 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.12 3dfh s PRO 238 CO 0.62 -0.63 0.00 0.09 0.04 0.00 0.00 177.00 177.12 3dfh n ASN 239 N -2.73 -2.12 -0.92 6.66 3.02 -1.26 -4.76 115.26 113.16 3dfh n ASN 239 Ca 0.05 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.61 3dfh n ASN 239 Cb 0.55 -2.35 0.20 0.00 -0.61 0.00 0.00 39.78 37.57 3dfh n ASN 239 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dfh n GLN 240 N -1.14 1.85 0.24 3.52 1.13 -1.00 -4.80 117.38 117.19 3dfh n GLN 240 Ca 0.00 -3.13 0.16 0.00 -1.94 0.00 0.00 57.00 52.09 3dfh n GLN 240 Cb 0.16 -1.75 0.66 0.00 0.11 0.00 0.00 30.24 29.41 3dfh n GLN 240 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 3dfh h THR 241 N 1.01 0.00 -0.07 5.09 1.35 -1.86 -2.08 112.91 116.34 3dfh h THR 241 Ca 0.13 -0.41 0.02 0.00 -0.55 0.00 0.00 66.41 65.60 3dfh h THR 241 Cb 1.43 1.34 -0.00 0.00 -1.73 0.00 0.00 68.15 69.19 3dfh h THR 241 CO 0.25 0.00 0.05 -0.33 -0.25 0.00 0.00 175.52 175.25 3dfh h GLU 242 N 0.00 0.00 0.00 4.72 3.07 -1.96 -1.00 114.58 119.41 3dfh h GLU 242 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3dfh h GLU 242 Cb 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 3dfh h GLU 242 CO 0.00 0.00 0.00 0.91 -1.40 0.00 0.00 179.01 178.52 3dfh n TRP 243 N -4.46 0.16 -0.04 4.33 7.02 -0.78 -2.92 117.44 120.75 3dfh n TRP 243 Ca -0.01 0.06 0.11 0.00 -1.02 0.00 0.00 57.50 56.64 3dfh n TRP 243 Cb 0.16 -0.59 0.52 0.00 -2.42 0.00 0.00 31.31 28.98 3dfh n TRP 243 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 3dfh h LEU 244 N 0.00 0.32 -0.90 -0.99 3.38 -1.35 -2.40 115.31 113.37 3dfh h LEU 244 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3dfh h LEU 244 Cb 0.31 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3dfh h LEU 244 CO 0.00 0.20 -0.19 0.44 0.09 0.00 0.00 178.44 178.98 3dfh h ASP 245 N 0.36 0.59 -0.24 -0.43 3.32 -1.75 -0.15 116.42 118.13 3dfh h ASP 245 Ca 0.24 -0.19 0.02 0.00 0.02 0.00 0.00 57.03 57.12 3dfh h ASP 245 Cb 0.47 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 3dfh h ASP 245 CO -0.06 0.79 0.09 0.78 -1.72 0.00 0.00 179.24 179.12 3dfh h ASN 246 N 0.54 0.11 0.38 6.45 4.21 -1.64 -1.67 115.58 123.96 3dfh h ASN 246 Ca 0.09 0.02 -0.02 0.00 1.21 0.00 0.00 56.30 57.60 3dfh h ASN 246 Cb 0.62 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.83 3dfh h ASN 246 CO 0.04 0.10 -0.18 0.40 -1.29 0.00 0.00 177.43 176.50 3dfh h ILE 247 N 0.21 0.61 0.00 2.81 2.04 -1.15 -3.20 117.51 118.83 3dfh h ILE 247 Ca 0.10 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3dfh h ILE 247 Cb 0.06 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 3dfh h ILE 247 CO -0.10 0.07 0.00 0.54 0.00 0.00 0.00 178.15 178.66 3dfh n ARG 248 N -5.21 0.14 0.06 2.37 5.12 -0.12 -1.04 116.66 117.98 3dfh n ARG 248 Ca -0.10 0.50 0.13 0.00 -1.93 0.00 0.00 57.85 56.45 3dfh n ARG 248 Cb 0.27 -1.85 0.49 0.00 -1.16 0.00 0.00 32.46 30.21 3dfh n ARG 248 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3dfh n SER 249 N -2.14 0.47 0.00 0.55 3.41 -0.63 -4.42 113.62 110.86 3dfh n SER 249 Ca 0.01 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 3dfh n SER 249 Cb 0.13 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.41 3dfh n SER 249 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dfh n GLN 250 N -1.94 2.18 -4.38 4.33 6.02 -0.20 -5.07 117.38 118.33 3dfh n GLN 250 Ca 0.06 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.86 3dfh n GLN 250 Cb 0.39 -0.83 -0.14 0.00 1.02 0.00 0.00 30.24 30.68 3dfh n GLN 250 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3dfh s SER 251 N -1.61 1.39 0.00 1.08 0.15 -0.23 -4.97 113.70 109.51 3dfh s SER 251 Ca 0.00 -0.34 0.19 0.00 0.70 0.00 0.00 55.95 56.50 3dfh s SER 251 Cb 0.00 -0.11 0.52 0.00 -1.71 0.00 0.00 66.02 64.72 3dfh s SER 251 CO 0.00 0.06 1.44 -1.54 1.20 0.00 0.00 173.24 174.40 3dfh n SER 252 N 2.30 3.03 -4.64 5.45 3.41 -1.26 -4.44 113.62 117.47 3dfh n SER 252 Ca -0.16 -1.97 -0.46 0.00 -0.26 0.00 0.00 58.87 56.01 3dfh n SER 252 Cb 0.55 -0.34 -0.03 0.00 -0.26 0.00 0.00 64.21 64.13 3dfh n SER 252 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3dfh n VAL 253 N 1.16 0.87 -2.39 -3.33 3.14 -1.26 -4.94 118.33 111.59 3dfh n VAL 253 Ca 0.19 -0.22 -0.41 0.00 -2.96 0.00 0.00 64.34 60.95 3dfh n VAL 253 Cb 0.49 -1.25 -0.04 0.00 -1.06 0.00 0.00 33.84 31.99 3dfh n VAL 253 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 3dfh s SER 254 N 0.22 7.13 -0.02 6.55 0.01 -1.26 -5.00 113.70 121.33 3dfh s SER 254 Ca 0.71 2.32 0.05 0.00 1.31 0.00 0.00 55.95 60.33 3dfh s SER 254 Cb -0.73 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 62.87 3dfh s SER 254 CO 0.50 -0.28 -0.18 -0.76 0.41 0.00 0.00 173.24 172.93 3dfh s LEU 255 N -1.03 1.99 -0.03 2.44 1.43 -1.26 -0.84 118.68 121.38 3dfh s LEU 255 Ca 0.48 -0.34 0.07 0.00 -1.03 0.00 0.00 54.13 53.31 3dfh s LEU 255 Cb -0.33 -0.95 -0.01 0.00 0.03 0.00 0.00 46.19 44.93 3dfh s LEU 255 CO 0.41 0.20 -0.24 -0.83 0.23 0.00 0.00 176.35 176.12 3dfh s GLY 256 N -0.26 1.19 0.19 -3.19 0.00 -0.39 -0.77 107.32 104.10 3dfh s GLY 256 Ca 0.03 -1.01 -0.07 0.00 0.00 0.00 0.00 44.72 43.67 3dfh s GLY 256 CO 0.00 -0.75 0.26 1.08 0.00 0.00 0.00 173.10 173.69 3dfh s LEU 257 N -0.38 0.98 0.00 0.66 1.43 -0.94 -2.06 118.68 118.37 3dfh s LEU 257 Ca 0.04 -1.06 0.00 0.00 -1.03 0.00 0.00 54.13 52.08 3dfh s LEU 257 Cb -0.11 0.99 0.00 0.00 0.03 0.00 0.00 46.19 47.10 3dfh s LEU 257 CO 0.01 -0.91 0.00 0.61 0.23 0.00 0.00 176.35 176.29 3dfh n GLY 258 N -0.25 1.01 0.27 -3.19 0.00 -1.26 -1.14 105.19 100.64 3dfh n GLY 258 Ca -0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.07 3dfh n GLY 258 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3dfh h GLU 259 N 0.00 0.09 -0.01 1.61 4.81 -1.89 0.21 114.58 119.40 3dfh h GLU 259 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3dfh h GLU 259 Cb 0.00 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.36 3dfh h GLU 259 CO 0.00 0.06 -0.50 1.28 -0.73 0.00 0.00 179.01 179.12 3dfh n LEU 260 N -4.52 1.01 -4.77 1.64 4.77 -1.26 -4.28 117.00 109.58 3dfh n LEU 260 Ca -0.01 -0.30 -0.41 0.00 -0.03 0.00 0.00 56.01 55.26 3dfh n LEU 260 Cb 0.11 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 3dfh n LEU 260 CO 0.34 0.21 1.04 -0.36 -1.33 0.00 0.00 177.39 177.29 3dfh s PHE 261 N -2.75 2.87 0.00 -1.77 0.08 0.73 -4.90 117.98 112.24 3dfh s PHE 261 Ca 0.16 1.31 0.00 0.00 0.12 0.00 0.00 56.93 58.53 3dfh s PHE 261 Cb 0.18 -3.82 0.00 0.00 -0.57 0.00 0.00 43.02 38.81 3dfh s PHE 261 CO 0.65 -2.31 0.60 0.27 -0.10 0.00 0.00 175.22 174.33 3dfh n ASN 262 N 0.69 0.82 -3.74 1.36 0.23 -1.26 -4.38 115.26 108.97 3dfh n ASN 262 Ca 0.00 -1.34 -0.15 0.00 -0.53 0.00 0.00 54.58 52.56 3dfh n ASN 262 Cb 0.41 0.00 -0.16 0.00 -2.08 0.00 0.00 39.78 37.95 3dfh n ASN 262 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3dfh s ASN 263 N -0.34 0.17 0.54 0.53 3.84 -1.26 -4.38 114.94 114.03 3dfh s ASN 263 Ca 0.00 0.15 0.27 0.00 0.21 0.00 0.00 52.86 53.49 3dfh s ASN 263 Cb 0.00 0.04 1.42 0.00 -0.55 0.00 0.00 41.25 42.16 3dfh s ASN 263 CO 0.00 -0.16 1.98 -0.65 -2.79 0.00 0.00 177.10 175.48 3dfh h PRO 264 N 7.48 0.00 0.00 0.43 0.11 -1.99 0.11 132.00 138.15 3dfh h PRO 264 Ca -0.39 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.72 3dfh h PRO 264 Cb 1.13 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3dfh h PRO 264 CO 0.40 0.00 -0.02 0.93 -0.21 0.00 0.00 178.00 179.11 3dfh h GLU 265 N 0.00 0.00 0.00 1.05 4.39 -2.01 -0.29 114.58 117.72 3dfh h GLU 265 Ca 0.28 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.90 3dfh h GLU 265 Cb 1.13 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 3dfh h GLU 265 CO -0.00 0.02 -0.37 0.93 -1.16 0.00 0.00 179.01 178.42 3dfh h GLU 266 N 0.00 0.00 0.00 2.33 5.08 -1.20 -3.38 114.58 117.41 3dfh h GLU 266 Ca -0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3dfh h GLU 266 Cb 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3dfh h GLU 266 CO 0.00 0.37 -1.41 -2.67 -1.00 0.00 0.00 179.01 174.30 3dfh n TRP 267 N -3.26 0.00 0.19 4.33 2.14 -0.23 -4.69 117.44 115.91 3dfh n TRP 267 Ca 0.02 0.00 -0.15 0.00 2.07 0.00 0.00 57.50 59.44 3dfh n TRP 267 Cb 0.63 -0.24 -0.08 0.00 -0.81 0.00 0.00 31.31 30.81 3dfh n TRP 267 CO 0.00 0.00 0.00 0.87 2.07 0.00 0.00 177.69 180.63 3dfh h LYS 268 N 0.00 -0.39 0.00 -2.67 1.57 -1.42 -1.31 116.57 112.35 3dfh h LYS 268 Ca -0.06 0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 3dfh h LYS 268 Cb 0.70 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 3dfh h LYS 268 CO 0.00 -0.26 -0.43 0.66 -0.57 0.00 0.00 179.45 178.85 3dfh h SER 269 N -0.41 0.00 -0.10 0.86 4.64 -1.85 -1.11 113.55 115.58 3dfh h SER 269 Ca -0.04 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.24 3dfh h SER 269 Cb 0.32 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3dfh h SER 269 CO 0.06 0.43 -0.10 0.25 -0.87 0.00 0.00 176.83 176.60 3dfh h LEU 270 N 0.00 0.26 0.11 5.97 5.85 -1.77 -1.37 115.31 124.35 3dfh h LEU 270 Ca -0.00 -0.48 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 3dfh h LEU 270 Cb 1.04 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.00 3dfh h LEU 270 CO 0.06 0.68 -0.05 0.40 -0.34 0.00 0.00 178.44 179.19 3dfh h ILE 271 N -0.16 1.04 -0.52 4.05 2.04 -1.25 0.40 117.51 123.10 3dfh h ILE 271 Ca 0.02 -0.57 0.06 0.00 1.00 0.00 0.00 64.86 65.36 3dfh h ILE 271 Cb 0.61 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 3dfh h ILE 271 CO 0.02 0.14 0.35 0.00 0.00 0.00 0.00 178.15 178.66 3dfh h ALA 272 N 0.45 1.88 -0.59 1.87 0.00 -1.22 -0.46 119.26 121.19 3dfh h ALA 272 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3dfh h ALA 272 Cb 0.34 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3dfh h ALA 272 CO 0.02 0.03 0.00 0.09 0.00 0.00 0.00 179.25 179.40 3dfh n ASN 273 N -4.47 4.01 -3.20 0.00 3.02 -0.52 -4.96 115.26 109.13 3dfh n ASN 273 Ca 0.07 -2.28 -0.23 0.00 -0.03 0.00 0.00 54.58 52.11 3dfh n ASN 273 Cb 0.24 -0.51 0.05 0.00 -0.61 0.00 0.00 39.78 38.95 3dfh n ASN 273 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3dfh n ARG 274 N 1.09 -5.82 0.00 3.52 1.74 -0.18 -4.85 116.66 112.15 3dfh n ARG 274 Ca 0.22 0.88 0.12 0.00 -0.77 0.00 0.00 57.85 58.31 3dfh n ARG 274 Cb 0.72 -5.81 0.29 0.00 -1.02 0.00 0.00 32.46 26.65 3dfh n ARG 274 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3dfh n ARG 275 N -4.34 0.65 -4.30 5.56 1.74 0.05 -4.87 116.66 111.15 3dfh n ARG 275 Ca -0.08 -0.41 -0.16 0.00 -0.77 0.00 0.00 57.85 56.44 3dfh n ARG 275 Cb 0.60 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.45 3dfh n ARG 275 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3dfh s ILE 276 N -2.63 0.60 -0.05 0.55 -4.36 -1.26 -4.96 121.20 109.08 3dfh s ILE 276 Ca 0.20 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.65 3dfh s ILE 276 Cb 0.19 -2.51 -0.09 0.00 1.25 0.00 0.00 42.46 41.30 3dfh s ILE 276 CO 0.58 -0.12 0.05 0.47 0.24 0.00 0.00 174.94 176.16 3dfh n ASP 277 N -0.41 3.40 -3.89 4.36 9.92 0.05 -4.82 116.55 125.16 3dfh n ASP 277 Ca -0.02 0.00 -0.21 0.00 -0.53 0.00 0.00 54.79 54.04 3dfh n ASP 277 Cb 0.65 0.78 -0.16 0.00 -0.64 0.00 0.00 41.12 41.75 3dfh n ASP 277 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 3dfh s PHE 278 N -2.22 0.79 0.05 1.24 0.40 -0.63 -0.67 117.98 116.95 3dfh s PHE 278 Ca -0.03 -0.23 -0.19 0.00 -0.60 0.00 0.00 56.93 55.87 3dfh s PHE 278 Cb 0.02 -0.71 -0.06 0.00 0.51 0.00 0.00 43.02 42.79 3dfh s PHE 278 CO 0.27 -0.21 0.56 -1.50 0.70 0.00 0.00 175.22 175.04 3dfh s ILE 279 N 0.98 4.81 -0.08 0.64 1.10 -0.55 -2.20 121.20 125.90 3dfh s ILE 279 Ca -0.10 1.20 0.13 0.00 -0.51 0.00 0.00 60.65 61.37 3dfh s ILE 279 Cb -0.14 -3.89 0.26 0.00 0.15 0.00 0.00 42.46 38.83 3dfh s ILE 279 CO -0.00 0.52 1.12 0.54 -2.11 0.00 0.00 174.94 175.01 3dfh n ARG 280 N 2.01 0.65 -0.99 3.50 5.12 -0.30 -1.13 116.66 125.52 3dfh n ARG 280 Ca -0.10 -2.10 -0.33 0.00 -1.93 0.00 0.00 57.85 53.39 3dfh n ARG 280 Cb 0.51 -0.87 0.13 0.00 -1.16 0.00 0.00 32.46 31.08 3dfh n ARG 280 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3dfh s HIS 282 N -2.25 3.48 0.28 0.00 3.76 -1.26 -1.78 115.29 117.52 3dfh s HIS 282 Ca 0.70 0.81 0.00 0.00 -0.15 0.00 0.00 55.06 56.43 3dfh s HIS 282 Cb -0.27 -2.52 0.53 0.00 1.11 0.00 0.00 32.58 31.42 3dfh s HIS 282 CO 0.54 0.15 1.84 0.28 -0.85 0.00 0.00 174.74 176.69 3dfh h VAL 283 N 4.77 0.93 -0.24 -0.90 2.07 -1.92 -0.30 116.25 120.66 3dfh h VAL 283 Ca -0.40 -0.34 -0.09 0.00 0.82 0.00 0.00 66.70 66.69 3dfh h VAL 283 Cb 1.17 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3dfh h VAL 283 CO 0.75 0.18 -0.23 0.28 0.02 0.00 0.00 177.57 178.57 3dfh h SER 284 N 0.99 0.44 0.83 0.57 0.02 -1.89 -0.08 113.55 114.43 3dfh h SER 284 Ca 0.48 -0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 61.24 3dfh h SER 284 Cb 0.45 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 3dfh h SER 284 CO -0.26 0.68 -0.25 1.56 -1.14 0.00 0.00 176.83 177.43 3dfh h GLN 285 N 0.40 0.00 -0.02 3.45 1.08 -1.36 -2.86 115.11 115.80 3dfh h GLN 285 Ca 0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 3dfh h GLN 285 Cb 0.63 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 3dfh h GLN 285 CO 0.04 0.25 -0.25 0.44 -0.95 0.00 0.00 178.83 178.36 3dfh n ILE 286 N -3.46 0.00 0.00 2.54 -5.35 -1.05 -4.41 119.36 107.64 3dfh n ILE 286 Ca -0.00 -0.34 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 3dfh n ILE 286 Cb 0.42 1.23 0.00 0.00 -1.74 0.00 0.00 39.64 39.55 3dfh n ILE 286 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dfh n GLY 287 N 1.37 1.10 0.00 3.28 0.00 -1.03 -4.80 105.19 105.11 3dfh n GLY 287 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3dfh n GLY 287 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dfh n GLY 288 N -0.78 -0.24 0.31 -0.02 0.00 -0.07 -3.97 105.19 100.42 3dfh n GLY 288 Ca 0.00 -2.22 -0.07 0.00 0.00 0.00 0.00 46.02 43.74 3dfh n GLY 288 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3dfh h ILE 289 N 0.00 1.25 0.21 -0.61 2.04 -1.85 -2.18 117.51 116.36 3dfh h ILE 289 Ca 0.00 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.07 3dfh h ILE 289 Cb 0.00 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 3dfh h ILE 289 CO 0.00 0.32 -0.21 0.74 0.00 0.00 0.00 178.15 179.00 3dfh h THR 290 N 1.02 0.55 0.00 -0.27 2.02 -1.92 -0.79 112.91 113.52 3dfh h THR 290 Ca 0.24 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.33 3dfh h THR 290 Cb 0.22 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 3dfh h THR 290 CO -0.02 0.00 -0.41 1.55 0.37 0.00 0.00 175.52 177.01 3dfh h PRO 291 N -0.45 0.00 -0.57 6.66 0.13 -1.82 -3.26 132.00 132.69 3dfh h PRO 291 Ca -0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.08 3dfh h PRO 291 Cb 0.42 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.52 3dfh h PRO 291 CO -0.05 0.41 0.17 0.00 -0.23 0.00 0.00 178.00 178.30 3dfh h ALA 292 N 1.59 0.74 -0.50 -0.56 0.00 -0.59 -1.63 119.26 118.31 3dfh h ALA 292 Ca -0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3dfh h ALA 292 Cb 0.77 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3dfh h ALA 292 CO 0.05 0.41 0.30 -0.07 0.00 0.00 0.00 179.25 179.95 3dfh h LEU 293 N 0.79 0.60 -0.25 0.00 3.38 -1.24 0.22 115.31 118.82 3dfh h LEU 293 Ca 0.18 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3dfh h LEU 293 Cb 0.29 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3dfh h LEU 293 CO -0.00 0.48 0.13 0.11 0.09 0.00 0.00 178.44 179.25 3dfh h LYS 294 N 0.67 0.34 -0.55 1.13 1.57 -1.57 -0.53 116.57 117.64 3dfh h LYS 294 Ca 0.18 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3dfh h LYS 294 Cb -0.01 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 3dfh h LYS 294 CO -0.03 0.31 0.35 1.25 -0.57 0.00 0.00 179.45 180.75 3dfh h LEU 295 N 0.29 0.65 -0.48 2.94 5.85 -1.17 -0.22 115.31 123.17 3dfh h LEU 295 Ca 0.09 -0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.86 3dfh h LEU 295 Cb 0.07 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 40.85 3dfh h LEU 295 CO -0.01 0.50 -0.05 1.23 -0.34 0.00 0.00 178.44 179.77 3dfh h GLY 296 N 0.74 0.43 1.29 3.75 0.00 -0.51 0.12 103.07 108.90 3dfh h GLY 296 Ca 0.20 0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.61 3dfh h GLY 296 CO -0.04 -0.15 0.35 0.45 0.00 0.00 0.00 176.54 177.15 3dfh h HIS 297 N 0.07 0.92 -0.61 5.60 3.86 -0.64 -2.39 115.15 121.95 3dfh h HIS 297 Ca 0.24 -0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.36 3dfh h HIS 297 Cb 0.36 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 3dfh h HIS 297 CO -0.34 0.65 0.12 1.25 0.86 0.00 0.00 177.93 180.47 3dfh h LEU 298 N 0.94 0.96 -0.85 2.43 5.85 0.08 -2.10 115.31 122.61 3dfh h LEU 298 Ca 0.24 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3dfh h LEU 298 Cb 0.05 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 3dfh h LEU 298 CO -0.04 0.96 0.54 0.00 -0.34 0.00 0.00 178.44 179.56 3dfh h GLN 300 N 1.16 0.85 -0.99 0.00 4.15 -1.19 0.20 115.11 119.30 3dfh h GLN 300 Ca 0.31 -0.17 0.16 0.00 0.77 0.00 0.00 58.65 59.72 3dfh h GLN 300 Cb -0.09 -0.13 -0.09 0.00 0.21 0.00 0.00 27.48 27.38 3dfh h GLN 300 CO -0.06 0.76 0.62 -0.97 -1.93 0.00 0.00 178.83 177.25 3dfh h ASN 301 N 0.77 0.79 -0.01 -0.69 -0.73 -0.79 -3.10 115.58 111.82 3dfh h ASN 301 Ca 0.18 0.07 0.00 0.00 1.87 0.00 0.00 56.30 58.42 3dfh h ASN 301 Cb 0.25 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 38.77 3dfh h ASN 301 CO -0.01 0.34 -0.56 0.49 -0.37 0.00 0.00 177.43 177.32 3dfh n PHE 302 N -4.68 0.00 -0.93 0.67 3.72 -0.88 -4.96 117.46 110.40 3dfh n PHE 302 Ca 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 3dfh n PHE 302 Cb 0.51 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 3dfh n PHE 302 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3dfh n GLY 303 N 1.33 0.82 3.78 1.37 0.00 0.56 -4.88 105.19 108.18 3dfh n GLY 303 Ca 0.06 -0.61 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 3dfh n GLY 303 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dfh s VAL 304 N -2.00 4.90 0.46 1.61 1.01 -0.38 -4.97 120.40 121.04 3dfh s VAL 304 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.94 3dfh s VAL 304 Cb 0.00 -3.11 0.01 0.00 0.00 0.00 0.00 36.38 33.27 3dfh s VAL 304 CO 0.00 0.59 0.68 -0.13 0.00 0.00 0.00 175.10 176.24 3dfh s ARG 305 N -1.03 2.93 -0.11 2.72 0.52 0.16 -4.20 118.95 119.95 3dfh s ARG 305 Ca 0.15 -0.62 0.02 0.00 -0.52 0.00 0.00 55.73 54.76 3dfh s ARG 305 Cb -0.12 -2.57 -0.01 0.00 0.52 0.00 0.00 34.95 32.78 3dfh s ARG 305 CO 0.04 -0.35 -0.19 0.42 0.02 0.00 0.00 175.30 175.24 3dfh s ILE 306 N -2.57 2.51 -0.43 1.52 1.01 -0.33 -1.48 121.20 121.43 3dfh s ILE 306 Ca 0.50 -0.86 0.06 0.00 0.00 0.00 0.00 60.65 60.36 3dfh s ILE 306 Cb -0.10 -2.01 0.22 0.00 0.01 0.00 0.00 42.46 40.58 3dfh s ILE 306 CO 0.37 0.54 0.55 0.00 0.00 0.00 0.00 174.94 176.41 3dfh n ALA 307 N 3.53 1.43 -1.76 9.38 0.00 -0.28 -0.87 120.51 131.94 3dfh n ALA 307 Ca -0.19 -2.72 -0.41 0.00 0.00 0.00 0.00 53.44 50.13 3dfh n ALA 307 Cb 0.53 -0.96 0.01 0.00 0.00 0.00 0.00 19.45 19.03 3dfh n ALA 307 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 3dfh n TRP 308 N 2.02 2.81 -2.16 0.00 5.03 -1.26 -4.24 117.44 119.65 3dfh n TRP 308 Ca 0.21 0.45 -0.40 0.00 3.03 0.00 0.00 57.50 60.79 3dfh n TRP 308 Cb 0.54 -2.49 -0.02 0.00 -1.03 0.00 0.00 31.31 28.30 3dfh n TRP 308 CO 0.00 0.00 0.00 -1.01 -0.03 0.00 0.00 177.69 176.65 3dfh s HIS 309 N -1.15 3.08 -0.50 -5.99 3.76 -0.73 -4.45 115.29 109.29 3dfh s HIS 309 Ca 0.57 1.46 0.03 0.00 -0.15 0.00 0.00 55.06 56.97 3dfh s HIS 309 Cb -0.47 -3.61 0.14 0.00 1.11 0.00 0.00 32.58 29.75 3dfh s HIS 309 CO 0.61 -1.70 0.30 0.00 -0.85 0.00 0.00 174.74 173.10 3dfh s PRO 311 N -0.16 1.83 0.15 0.00 0.04 -1.26 -4.68 135.00 130.91 3dfh s PRO 311 Ca 0.20 0.37 0.19 0.00 0.04 0.00 0.00 61.00 61.81 3dfh s PRO 311 Cb -0.18 -1.91 0.81 0.00 0.04 0.00 0.00 34.50 33.26 3dfh s PRO 311 CO -0.05 -1.74 1.59 -0.35 0.04 0.00 0.00 177.00 176.49 3dfh n PRO 312 N -3.47 0.11 -0.12 0.56 -0.04 -1.26 -0.93 135.00 129.85 3dfh n PRO 312 Ca 0.07 0.36 0.08 0.00 -0.04 0.00 0.00 63.50 63.97 3dfh n PRO 312 Cb 0.59 -1.71 0.28 0.00 -0.04 0.00 0.00 33.50 32.62 3dfh n PRO 312 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3dfh n ASP 313 N -1.92 1.68 -4.76 3.54 3.85 -1.26 -4.88 116.55 112.79 3dfh n ASP 313 Ca 0.02 -1.82 -0.39 0.00 -0.71 0.00 0.00 54.79 51.89 3dfh n ASP 313 Cb 0.19 -0.15 -0.04 0.00 -1.35 0.00 0.00 41.12 39.77 3dfh n ASP 313 CO 0.00 0.00 0.00 -0.32 -1.01 0.00 0.00 177.20 175.87 3dfh s MET 314 N -1.69 4.46 0.48 0.11 1.75 -0.11 -4.67 119.30 119.63 3dfh s MET 314 Ca 0.28 1.79 -0.02 0.00 -1.25 0.00 0.00 55.69 56.49 3dfh s MET 314 Cb 0.15 -3.00 -0.01 0.00 2.84 0.00 0.00 34.83 34.81 3dfh s MET 314 CO 0.21 0.05 0.74 0.95 -0.65 0.00 0.00 175.02 176.33 3dfh s THR 315 N -1.28 4.13 0.57 10.11 -4.23 -1.26 -4.91 115.64 118.78 3dfh s THR 315 Ca 0.49 -0.25 0.33 0.00 -1.18 0.00 0.00 61.69 61.07 3dfh s THR 315 Cb -0.31 -3.56 0.33 0.00 1.34 0.00 0.00 72.50 70.30 3dfh s THR 315 CO 0.39 -0.47 1.99 -0.65 -0.54 0.00 0.00 174.62 175.35 3dfh h PRO 316 N 0.24 0.00 0.01 3.99 0.11 -1.94 0.74 132.00 135.15 3dfh h PRO 316 Ca -0.46 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.39 3dfh h PRO 316 Cb 1.24 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.37 3dfh h PRO 316 CO 0.59 0.00 -1.03 0.82 -0.21 0.00 0.00 178.00 178.17 3dfh h ILE 317 N 0.00 1.32 -0.29 4.15 2.04 -1.91 -1.55 117.51 121.27 3dfh h ILE 317 Ca 0.00 -2.34 -0.18 0.00 1.00 0.00 0.00 64.86 63.35 3dfh h ILE 317 Cb 0.43 2.42 -0.00 0.00 -0.74 0.00 0.00 36.82 38.94 3dfh h ILE 317 CO 0.00 0.71 -0.51 1.23 0.00 0.00 0.00 178.15 179.58 3dfh h GLY 318 N 0.68 0.91 0.98 5.37 0.00 -1.26 -2.50 103.07 107.25 3dfh h GLY 318 Ca -0.12 -1.04 -0.06 0.00 0.00 0.00 0.00 47.33 46.12 3dfh h GLY 318 CO 0.20 0.93 0.09 0.00 0.00 0.00 0.00 176.54 177.75 3dfh h ALA 319 N 0.76 0.66 -0.53 3.60 0.00 -1.24 -1.44 119.26 121.07 3dfh h ALA 319 Ca 0.02 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.71 3dfh h ALA 319 Cb 1.11 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 3dfh h ALA 319 CO 0.11 0.38 0.34 0.00 0.00 0.00 0.00 179.25 180.09 3dfh h ALA 320 N 0.97 0.67 -0.50 0.00 0.00 -1.21 0.12 119.26 119.32 3dfh h ALA 320 Ca 0.15 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.10 3dfh h ALA 320 Cb 0.38 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 3dfh h ALA 320 CO 0.01 0.09 0.19 0.28 0.00 0.00 0.00 179.25 179.81 3dfh h VAL 321 N 0.69 0.84 -0.73 0.00 2.07 -1.24 -1.20 116.25 116.69 3dfh h VAL 321 Ca 0.20 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.54 3dfh h VAL 321 Cb -0.06 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 3dfh h VAL 321 CO -0.05 0.07 0.24 0.78 0.02 0.00 0.00 177.57 178.63 3dfh h ASN 322 N 0.37 1.03 -0.43 0.57 4.21 -0.17 -0.78 115.58 120.39 3dfh h ASN 322 Ca 0.24 -0.18 -0.02 0.00 1.21 0.00 0.00 56.30 57.54 3dfh h ASN 322 Cb 0.24 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 37.15 3dfh h ASN 322 CO -0.23 0.95 0.18 0.74 -1.29 0.00 0.00 177.43 177.78 3dfh h THR 323 N 1.07 1.20 -0.87 2.81 2.02 -0.74 0.69 112.91 119.09 3dfh h THR 323 Ca 0.24 -0.60 0.11 0.00 0.77 0.00 0.00 66.41 66.93 3dfh h THR 323 Cb 0.27 0.79 -0.08 0.00 -1.74 0.00 0.00 68.15 67.39 3dfh h THR 323 CO -0.01 0.22 0.50 0.45 0.37 0.00 0.00 175.52 177.05 3dfh h HIS 324 N 0.55 0.90 -0.29 3.16 3.86 -0.87 -0.26 115.15 122.20 3dfh h HIS 324 Ca 0.14 0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.24 3dfh h HIS 324 Cb 0.18 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 3dfh h HIS 324 CO -0.00 0.34 -0.39 -0.07 0.86 0.00 0.00 177.93 178.66 3dfh h LEU 325 N 0.80 0.75 -0.80 2.43 3.38 -0.54 -2.55 115.31 118.78 3dfh h LEU 325 Ca 0.43 -0.33 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 3dfh h LEU 325 Cb 0.45 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3dfh h LEU 325 CO -0.27 1.05 -0.59 0.78 0.09 0.00 0.00 178.44 179.50 3dfh h ASN 326 N 0.58 0.00 1.07 -0.43 -0.26 0.13 0.16 115.58 116.83 3dfh h ASN 326 Ca 0.05 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 55.66 3dfh h ASN 326 Cb 0.93 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.17 3dfh h ASN 326 CO 0.08 0.59 -0.98 -0.37 -1.06 0.00 0.00 177.43 175.69 3dfh h VAL 327 N 0.00 0.59 0.04 2.81 -1.51 -1.10 -3.39 116.25 113.70 3dfh h VAL 327 Ca -0.01 -1.98 -0.00 0.00 -1.23 0.00 0.00 66.70 63.48 3dfh h VAL 327 Cb 1.06 2.14 0.00 0.00 -2.13 0.00 0.00 31.29 32.36 3dfh h VAL 327 CO 0.08 0.34 -0.02 -0.74 -1.23 0.00 0.00 177.57 175.99 3dfh h HIS 328 N 0.00 -0.05 -2.93 5.19 -0.00 -1.34 0.95 115.15 116.96 3dfh h HIS 328 Ca -0.08 -0.00 -0.54 0.00 -0.00 0.00 0.00 60.37 59.75 3dfh h HIS 328 Cb 1.44 0.02 0.01 0.00 -0.00 0.00 0.00 27.41 28.88 3dfh h HIS 328 CO 0.00 0.32 0.80 -0.51 -0.00 0.00 0.00 177.93 178.54 3dfh s LEU 329 N -8.54 4.34 0.27 0.26 1.43 0.56 -3.80 118.68 113.21 3dfh s LEU 329 Ca -0.08 2.19 -0.01 0.00 -1.03 0.00 0.00 54.13 55.20 3dfh s LEU 329 Cb -0.01 -3.57 0.61 0.00 0.03 0.00 0.00 46.19 43.26 3dfh s LEU 329 CO 0.28 -0.70 1.66 -0.74 0.23 0.00 0.00 176.35 177.08 3dfh h HIS 330 N 7.55 0.30 -0.39 0.29 -0.00 -1.90 -2.17 115.15 118.82 3dfh h HIS 330 Ca -0.39 0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.02 3dfh h HIS 330 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.60 3dfh h HIS 330 CO 0.72 -0.17 0.00 0.09 -0.00 0.00 0.00 177.93 178.57 3dfh n ASN 331 N -5.21 2.20 -4.74 3.26 5.03 -1.26 -4.91 115.26 109.62 3dfh n ASN 331 Ca 0.19 -1.97 -0.41 0.00 0.87 0.00 0.00 54.58 53.25 3dfh n ASN 331 Cb 0.60 -0.26 -0.02 0.00 -1.02 0.00 0.00 39.78 39.07 3dfh n ASN 331 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3dfh s ALA 332 N -1.48 3.65 -0.10 5.41 0.00 -0.82 -1.19 121.76 127.23 3dfh s ALA 332 Ca 0.29 1.35 -0.02 0.00 0.00 0.00 0.00 51.96 53.58 3dfh s ALA 332 Cb 0.15 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 3dfh s ALA 332 CO 0.20 -0.77 -0.11 0.00 0.00 0.00 0.00 175.76 175.08 3dfh n ALA 333 N 2.41 2.05 -3.47 0.00 0.00 -0.05 -4.80 120.51 116.64 3dfh n ALA 333 Ca 0.07 -0.41 -0.16 0.00 0.00 0.00 0.00 53.44 52.94 3dfh n ALA 333 Cb 0.40 0.32 -0.05 0.00 0.00 0.00 0.00 19.45 20.12 3dfh n ALA 333 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3dfh s ILE 334 N -2.19 0.00 0.12 0.00 2.07 -1.23 -4.29 121.20 115.69 3dfh s ILE 334 Ca -0.14 -0.04 0.10 0.00 -1.41 0.00 0.00 60.65 59.17 3dfh s ILE 334 Cb 0.04 -0.98 -0.04 0.00 0.13 0.00 0.00 42.46 41.61 3dfh s ILE 334 CO 0.20 -0.02 -0.25 -1.58 -1.91 0.00 0.00 174.94 171.38 3dfh s GLN 335 N -1.73 1.33 -0.06 3.50 0.74 0.76 -4.33 119.66 119.86 3dfh s GLN 335 Ca -0.09 -1.30 -0.13 0.00 0.05 0.00 0.00 55.36 53.89 3dfh s GLN 335 Cb -0.00 -1.76 -0.05 0.00 1.10 0.00 0.00 33.01 32.30 3dfh s GLN 335 CO 0.05 0.41 0.33 -2.00 -0.55 0.00 0.00 175.29 173.53 3dfh s GLU 336 N -2.03 3.89 0.12 1.67 2.12 -1.26 -0.85 118.70 122.36 3dfh s GLU 336 Ca 0.12 0.24 -0.31 0.00 0.36 0.00 0.00 54.97 55.38 3dfh s GLU 336 Cb -0.10 -3.26 -0.07 0.00 0.26 0.00 0.00 34.13 30.96 3dfh s GLU 336 CO 0.06 0.60 1.28 -1.58 -0.54 0.00 0.00 175.26 175.08 3dfh s HIS 337 N -0.71 3.35 -0.24 5.30 5.65 -0.04 -4.71 115.29 123.89 3dfh s HIS 337 Ca 0.21 1.20 0.00 0.00 0.25 0.00 0.00 55.06 56.72 3dfh s HIS 337 Cb -0.15 -3.53 0.04 0.00 -1.18 0.00 0.00 32.58 27.76 3dfh s HIS 337 CO 0.09 -1.71 -0.10 0.08 -0.65 0.00 0.00 174.74 172.45 3dfh s VAL 338 N 0.72 2.50 0.12 0.89 1.01 -1.26 -4.91 120.40 119.47 3dfh s VAL 338 Ca 0.59 -1.25 -0.31 0.00 0.00 0.00 0.00 61.98 61.01 3dfh s VAL 338 Cb -0.33 -2.32 -0.10 0.00 0.00 0.00 0.00 36.38 33.63 3dfh s VAL 338 CO 0.32 0.16 1.76 -0.70 0.00 0.00 0.00 175.10 176.63 3dfh s GLU 339 N 1.24 4.16 -0.14 2.72 2.56 -1.26 -5.02 118.70 122.95 3dfh s GLU 339 Ca -0.02 2.51 0.01 0.00 0.00 0.00 0.00 54.97 57.46 3dfh s GLU 339 Cb -0.17 -3.51 -0.01 0.00 2.00 0.00 0.00 34.13 32.44 3dfh s GLU 339 CO -0.06 -0.79 -0.16 0.71 -0.56 0.00 0.00 175.26 174.41 3dfh s TYR 340 N 2.45 2.76 0.85 5.30 4.12 -1.26 -5.08 117.35 126.49 3dfh s TYR 340 Ca 0.78 -0.90 -0.13 0.00 0.02 0.00 0.00 57.07 56.84 3dfh s TYR 340 Cb -0.45 -1.85 0.11 0.00 -1.52 0.00 0.00 41.96 38.26 3dfh s TYR 340 CO 0.34 -0.38 1.21 0.54 0.02 0.00 0.00 175.55 177.29 3dfh s ASN 341 N 0.60 4.14 0.35 2.29 2.20 -1.26 -4.85 114.94 118.40 3dfh s ASN 341 Ca -0.09 0.62 0.03 0.00 -0.94 0.00 0.00 52.86 52.48 3dfh s ASN 341 Cb -0.16 -0.99 0.64 0.00 -2.00 0.00 0.00 41.25 38.73 3dfh s ASN 341 CO 0.03 -2.12 1.97 1.23 -2.94 0.00 0.00 177.10 175.27 3dfh h GLY 342 N -1.20 0.78 0.86 0.45 0.00 -1.99 -2.02 103.07 99.95 3dfh h GLY 342 Ca -0.45 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 46.52 3dfh h GLY 342 CO 0.58 0.33 0.06 3.43 0.00 0.00 0.00 176.54 180.93 3dfh h ASN 343 N 0.73 0.33 -0.98 0.19 2.35 -1.94 -1.54 115.58 114.73 3dfh h ASN 343 Ca 0.19 -0.22 0.09 0.00 -0.55 0.00 0.00 56.30 55.80 3dfh h ASN 343 Cb 0.04 -0.09 -0.07 0.00 0.05 0.00 0.00 38.32 38.25 3dfh h ASN 343 CO -0.03 0.47 0.62 0.74 -1.65 0.00 0.00 177.43 177.58 3dfh h THR 344 N 0.18 1.02 -0.77 2.81 2.02 -1.70 0.36 112.91 116.82 3dfh h THR 344 Ca 0.07 -0.37 -0.04 0.00 0.77 0.00 0.00 66.41 66.84 3dfh h THR 344 Cb 0.26 -0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 66.49 3dfh h THR 344 CO -0.00 0.20 0.33 0.45 0.37 0.00 0.00 175.52 176.87 3dfh h HIS 345 N 1.07 1.15 -0.37 3.16 3.86 -1.13 0.34 115.15 123.23 3dfh h HIS 345 Ca 0.45 -0.07 -0.05 0.00 -1.16 0.00 0.00 60.37 59.53 3dfh h HIS 345 Cb 0.29 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.39 3dfh h HIS 345 CO -0.01 0.86 0.03 -0.22 0.86 0.00 0.00 177.93 179.46 3dfh h LYS 346 N 1.11 0.64 0.00 2.45 3.64 -0.67 -2.91 116.57 120.82 3dfh h LYS 346 Ca 0.26 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 3dfh h LYS 346 Cb 0.18 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3dfh h LYS 346 CO -0.03 0.72 -0.14 0.28 -2.27 0.00 0.00 179.45 178.01 3dfh h VAL 347 N 0.47 0.99 -2.28 2.00 2.07 -0.62 -3.38 116.25 115.51 3dfh h VAL 347 Ca 0.11 -0.50 -0.55 0.00 0.82 0.00 0.00 66.70 66.58 3dfh h VAL 347 Cb 0.41 1.28 -0.36 0.00 -1.52 0.00 0.00 31.29 31.09 3dfh h VAL 347 CO 0.01 0.14 -0.92 -0.36 0.02 0.00 0.00 177.57 176.46 3dfh s PHE 348 N -4.63 0.78 0.71 1.57 0.08 0.08 -0.93 117.98 115.65 3dfh s PHE 348 Ca -0.04 -2.05 -0.13 0.00 0.12 0.00 0.00 56.93 54.83 3dfh s PHE 348 Cb 0.15 -0.80 0.02 0.00 -0.57 0.00 0.00 43.02 41.83 3dfh s PHE 348 CO 0.67 -0.87 1.10 -2.14 -0.10 0.00 0.00 175.22 173.88 3dfh s PRO 349 N 0.31 2.59 -1.90 0.24 0.02 -1.11 -3.73 135.00 131.41 3dfh s PRO 349 Ca 0.30 1.29 0.00 0.00 0.02 0.00 0.00 61.00 62.61 3dfh s PRO 349 Cb -0.01 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.58 3dfh s PRO 349 CO -0.15 -1.40 0.00 0.09 -0.33 0.00 0.00 177.00 175.20 3dfh n ASN 350 N -2.88 -5.76 -4.67 2.53 3.02 -1.26 -4.53 115.26 101.71 3dfh n ASN 350 Ca 0.10 0.14 -0.42 0.00 -0.03 0.00 0.00 54.58 54.36 3dfh n ASN 350 Cb 0.52 -4.86 -0.03 0.00 -0.61 0.00 0.00 39.78 34.81 3dfh n ASN 350 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dfh s ALA 351 N -2.95 3.62 0.44 5.41 0.00 -1.24 -4.90 121.76 122.13 3dfh s ALA 351 Ca 0.00 0.91 -0.24 0.00 0.00 0.00 0.00 51.96 52.63 3dfh s ALA 351 Cb 0.00 -3.69 -0.08 0.00 0.00 0.00 0.00 23.12 19.35 3dfh s ALA 351 CO 0.00 -1.21 1.23 0.00 0.00 0.00 0.00 175.76 175.78 3dfh s ALA 352 N 3.37 3.09 0.17 0.00 0.00 -1.26 -5.05 121.76 122.07 3dfh s ALA 352 Ca 0.69 1.07 0.10 0.00 0.00 0.00 0.00 51.96 53.83 3dfh s ALA 352 Cb -0.33 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.32 3dfh s ALA 352 CO 0.28 -0.75 -0.19 -1.21 0.00 0.00 0.00 175.76 173.89 3dfh s GLU 353 N -2.47 1.73 0.66 0.00 0.41 -1.26 -5.05 118.70 112.72 3dfh s GLU 353 Ca 0.61 -1.37 -0.17 0.00 -0.41 0.00 0.00 54.97 53.62 3dfh s GLU 353 Cb -0.33 -2.00 -0.01 0.00 -1.78 0.00 0.00 34.13 30.01 3dfh s GLU 353 CO 0.41 0.43 1.14 -2.30 -0.49 0.00 0.00 175.26 174.46 3dfh n PRO 354 N 0.34 0.88 -3.71 0.39 -0.02 -1.26 -4.78 135.00 126.85 3dfh n PRO 354 Ca -0.13 0.36 -0.28 0.00 -2.02 0.00 0.00 63.50 61.42 3dfh n PRO 354 Cb 0.55 -2.38 -0.16 0.00 -0.02 0.00 0.00 33.50 31.49 3dfh n PRO 354 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3dfh s ILE 355 N -1.54 0.53 -1.47 4.25 1.01 0.25 -4.77 121.20 119.46 3dfh s ILE 355 Ca 0.79 -0.78 -0.12 0.00 0.00 0.00 0.00 60.65 60.54 3dfh s ILE 355 Cb -0.38 -1.17 0.06 0.00 0.01 0.00 0.00 42.46 40.98 3dfh s ILE 355 CO 0.44 -0.38 1.04 -3.20 0.00 0.00 0.00 174.94 172.84 3dfh n ASN 356 N 5.03 -5.14 0.00 3.58 5.15 -1.26 -2.16 115.26 120.46 3dfh n ASN 356 Ca -0.07 -0.71 0.00 0.00 -0.60 0.00 0.00 54.58 53.20 3dfh n ASN 356 Cb 0.45 -4.26 0.00 0.00 -0.53 0.00 0.00 39.78 35.45 3dfh n ASN 356 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dfh n GLY 357 N -1.78 0.63 3.19 8.20 0.00 -1.25 -4.69 105.19 109.49 3dfh n GLY 357 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 3dfh n GLY 357 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dfh s TYR 358 N -2.07 1.51 -0.14 1.61 2.02 -0.92 -0.26 117.35 119.11 3dfh s TYR 358 Ca 0.00 -0.35 -0.05 0.00 -0.37 0.00 0.00 57.07 56.30 3dfh s TYR 358 Cb 0.00 -0.91 -0.04 0.00 -0.40 0.00 0.00 41.96 40.61 3dfh s TYR 358 CO 0.00 0.05 0.04 -0.51 -1.57 0.00 0.00 175.55 173.55 3dfh s LEU 359 N -1.00 3.71 -0.05 -1.29 1.43 -0.36 0.87 118.68 121.99 3dfh s LEU 359 Ca 0.05 0.11 -0.04 0.00 -1.03 0.00 0.00 54.13 53.22 3dfh s LEU 359 Cb -0.08 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 3dfh s LEU 359 CO 0.01 0.26 0.13 -0.31 0.23 0.00 0.00 176.35 176.67 3dfh s TYR 360 N -0.15 3.47 0.41 0.29 1.51 -1.26 -1.55 117.35 120.07 3dfh s TYR 360 Ca 0.06 0.37 -0.25 0.00 -1.01 0.00 0.00 57.07 56.24 3dfh s TYR 360 Cb -0.12 -1.84 -0.08 0.00 -0.11 0.00 0.00 41.96 39.80 3dfh s TYR 360 CO 0.02 0.64 1.16 0.00 -1.11 0.00 0.00 175.55 176.25 3dfh s ALA 361 N -1.15 3.12 0.49 3.71 0.00 -1.26 -4.95 121.76 121.71 3dfh s ALA 361 Ca 0.21 0.93 -0.23 0.00 0.00 0.00 0.00 51.96 52.87 3dfh s ALA 361 Cb -0.12 -3.37 -0.08 0.00 0.00 0.00 0.00 23.12 19.55 3dfh s ALA 361 CO 0.11 -0.52 1.24 0.45 0.00 0.00 0.00 175.76 177.04 3dfh n SER 362 N -0.03 2.25 -0.39 0.00 2.88 -1.26 -4.96 113.62 112.10 3dfh n SER 362 Ca 0.05 1.02 0.04 0.00 -1.33 0.00 0.00 58.87 58.65 3dfh n SER 362 Cb 0.47 -1.50 0.07 0.00 -0.75 0.00 0.00 64.21 62.50 3dfh n SER 362 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3dfh n GLU 363 N -0.43 1.58 -2.49 -1.46 -0.58 -1.26 -4.83 120.64 111.17 3dfh n GLU 363 Ca 0.09 -1.45 -0.24 0.00 -0.42 0.00 0.00 57.16 55.13 3dfh n GLU 363 Cb 0.42 -1.17 0.11 0.00 -0.57 0.00 0.00 31.44 30.23 3dfh n GLU 363 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 3dfh s ILE 364 N -0.84 2.17 0.34 -3.67 -4.36 -1.26 -4.59 121.20 108.99 3dfh s ILE 364 Ca 0.13 -0.51 -0.29 0.00 -0.26 0.00 0.00 60.65 59.73 3dfh s ILE 364 Cb 0.08 -2.66 -0.10 0.00 1.25 0.00 0.00 42.46 41.02 3dfh s ILE 364 CO 0.11 0.00 1.37 0.00 0.24 0.00 0.00 174.94 176.65 3dfh s ALA 365 N -3.21 3.53 0.00 2.27 0.00 -1.26 -3.11 121.76 119.99 3dfh s ALA 365 Ca 0.66 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.98 3dfh s ALA 365 Cb -0.06 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.54 3dfh s ALA 365 CO 0.45 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.85 3dfh n GLY 366 N 0.80 -1.39 0.28 0.00 0.00 -0.48 -3.98 105.19 100.42 3dfh n GLY 366 Ca 0.01 -1.58 -0.07 0.00 0.00 0.00 0.00 46.02 44.38 3dfh n GLY 366 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3dfh h ILE 367 N 0.00 1.26 0.00 -0.61 2.04 -1.86 -0.72 117.51 117.61 3dfh h ILE 367 Ca 0.00 -1.22 0.00 0.00 1.00 0.00 0.00 64.86 64.64 3dfh h ILE 367 Cb 0.00 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3dfh h ILE 367 CO 0.00 0.42 0.00 0.61 0.00 0.00 0.00 178.15 179.18 3dfh n GLY 368 N -0.37 0.22 2.87 5.37 0.00 -1.26 -4.73 105.19 107.30 3dfh n GLY 368 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 3dfh n GLY 368 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dfh s VAL 369 N -2.00 0.20 0.12 1.61 1.01 -1.26 -4.90 120.40 115.17 3dfh s VAL 369 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.96 3dfh s VAL 369 Cb 0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 36.38 36.16 3dfh s VAL 369 CO 0.00 0.10 0.02 -0.62 0.00 0.00 0.00 175.10 174.59 3dfh n GLU 370 N 3.49 1.29 -5.09 2.72 1.02 -1.26 -4.87 120.64 117.94 3dfh n GLU 370 Ca -0.19 -0.91 -0.32 0.00 -0.02 0.00 0.00 57.16 55.73 3dfh n GLU 370 Cb 0.55 0.36 -0.15 0.00 -0.02 0.00 0.00 31.44 32.18 3dfh n GLU 370 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 3dfh s ILE 371 N -1.68 2.54 -0.47 -3.67 2.07 -1.26 -4.19 121.20 114.54 3dfh s ILE 371 Ca 0.02 -0.91 -0.20 0.00 -1.41 0.00 0.00 60.65 58.16 3dfh s ILE 371 Cb 0.00 -1.96 0.04 0.00 0.13 0.00 0.00 42.46 40.67 3dfh s ILE 371 CO 0.02 0.58 0.62 -0.62 -1.91 0.00 0.00 174.94 173.62 3dfh s ASP 372 N -0.47 6.26 0.14 4.50 2.15 -0.10 -4.98 116.67 124.17 3dfh s ASP 372 Ca 0.06 -0.62 -0.12 0.00 0.43 0.00 0.00 52.55 52.30 3dfh s ASP 372 Cb -0.12 -2.30 -0.00 0.00 -0.30 0.00 0.00 42.92 40.20 3dfh s ASP 372 CO 0.01 -0.82 1.55 0.08 -0.17 0.00 0.00 175.17 175.83 3dfh h ARG 373 N 8.92 0.87 0.09 4.34 0.11 -1.97 -1.40 114.38 125.35 3dfh h ARG 373 Ca -0.26 -0.33 0.02 0.00 0.10 0.00 0.00 59.98 59.51 3dfh h ARG 373 Cb 1.10 -0.05 -0.03 0.00 1.11 0.00 0.00 29.97 32.09 3dfh h ARG 373 CO 0.92 0.97 -0.22 1.05 0.10 0.00 0.00 179.97 182.78 3dfh h GLU 374 N 0.71 -0.39 -0.93 0.08 9.09 -1.99 0.62 114.58 121.77 3dfh h GLU 374 Ca 0.12 0.03 0.28 0.00 0.05 0.00 0.00 59.36 59.83 3dfh h GLU 374 Cb 0.64 0.09 -0.16 0.00 -1.65 0.00 0.00 28.75 27.67 3dfh h GLU 374 CO 0.04 -0.26 0.25 0.00 0.05 0.00 0.00 179.01 179.10 3dfh h ALA 375 N 0.40 1.43 0.00 1.06 0.00 -1.86 0.20 119.26 120.48 3dfh h ALA 375 Ca 0.03 0.26 -0.15 0.00 0.00 0.00 0.00 54.91 55.06 3dfh h ALA 375 Cb 0.43 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3dfh h ALA 375 CO -0.14 -0.57 -0.69 0.00 0.00 0.00 0.00 179.25 177.85 3dfh h ALA 376 N 1.87 0.79 -0.15 0.00 0.00 0.15 -2.85 119.26 119.07 3dfh h ALA 376 Ca 0.62 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3dfh h ALA 376 Cb 1.34 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3dfh h ALA 376 CO -0.73 0.86 0.07 0.00 0.00 0.00 0.00 179.25 179.45 3dfh h ALA 377 N 1.31 1.84 0.00 0.00 0.00 0.15 -0.12 119.26 122.44 3dfh h ALA 377 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3dfh h ALA 377 Cb 1.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3dfh h ALA 377 CO 0.09 0.13 0.00 0.39 0.00 0.00 0.00 179.25 179.86 3dfh n GLU 378 N -4.48 0.01 -2.49 0.00 1.02 -0.99 -3.53 120.64 110.18 3dfh n GLU 378 Ca -0.01 0.41 -0.16 0.00 -0.02 0.00 0.00 57.16 57.38 3dfh n GLU 378 Cb 0.10 -1.53 0.02 0.00 -0.02 0.00 0.00 31.44 30.02 3dfh n GLU 378 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3dfh n PHE 379 N -1.55 2.26 0.00 -0.32 3.72 -0.06 -5.06 117.46 116.44 3dfh n PHE 379 Ca 0.01 -2.63 0.00 0.00 -0.05 0.00 0.00 57.45 54.78 3dfh n PHE 379 Cb 0.07 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.36 3dfh n PHE 379 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36