#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 4.37 0.45 1.04 2.96 -1.26 -5.12 118.68 121.12 3dfh s LEU 3 Ca 0.00 0.85 0.07 0.00 -0.22 0.00 0.00 54.13 54.83 3dfh s LEU 3 Cb 0.00 -2.95 -0.02 0.00 0.50 0.00 0.00 46.19 43.71 3dfh s LEU 3 CO 0.00 0.19 0.26 -1.59 -1.32 0.00 0.00 176.35 173.89 3dfh s LYS 4 N -1.79 2.29 0.42 1.98 -2.85 -1.26 -5.07 119.74 113.47 3dfh s LYS 4 Ca 0.32 -1.85 -0.22 0.00 -1.00 0.00 0.00 55.97 53.22 3dfh s LYS 4 Cb -0.14 -2.06 -0.13 0.00 -2.06 0.00 0.00 37.83 33.43 3dfh s LYS 4 CO 0.17 -0.26 0.45 0.39 0.10 0.00 0.00 175.35 176.20 3dfh n GLU 5 N -1.42 0.44 -4.03 1.78 1.02 -1.26 -4.95 120.64 112.21 3dfh n GLU 5 Ca -0.01 0.16 -0.31 0.00 -0.02 0.00 0.00 57.16 56.97 3dfh n GLU 5 Cb 0.64 -1.40 -0.15 0.00 -0.02 0.00 0.00 31.44 30.51 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 -1.52 2.26 -0.17 2.62 2.01 -1.26 -5.04 115.64 114.54 3dfh s THR 6 Ca 0.63 -2.08 -0.24 0.00 0.31 0.00 0.00 61.69 60.31 3dfh s THR 6 Cb -0.61 -2.55 -0.02 0.00 0.01 0.00 0.00 72.50 69.34 3dfh s THR 6 CO 0.59 -0.39 0.76 -0.63 -0.69 0.00 0.00 174.62 174.26 3dfh s ILE 7 N 0.98 4.94 0.14 1.82 -1.09 -1.26 0.06 121.20 126.78 3dfh s ILE 7 Ca 0.04 1.48 -0.31 0.00 -2.23 0.00 0.00 60.65 59.63 3dfh s ILE 7 Cb -0.19 -4.07 -0.08 0.00 -1.58 0.00 0.00 42.46 36.54 3dfh s ILE 7 CO -0.07 0.07 1.35 -0.63 -1.23 0.00 0.00 174.94 174.43 3dfh s ILE 8 N 1.98 3.31 -0.01 2.92 1.01 -0.22 -1.47 121.20 128.72 3dfh s ILE 8 Ca 0.35 0.98 0.03 0.00 0.00 0.00 0.00 60.65 62.01 3dfh s ILE 8 Cb -0.16 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.64 3dfh s ILE 8 CO 0.12 0.10 0.04 -1.54 0.00 0.00 0.00 174.94 173.66 3dfh n SER 9 N 3.54 4.34 -3.50 3.58 3.41 0.48 -0.29 113.62 125.18 3dfh n SER 9 Ca 0.10 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.60 3dfh n SER 9 Cb 0.43 0.94 -0.03 0.00 -0.26 0.00 0.00 64.21 65.28 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 -2.67 -0.45 -0.02 4.04 3.68 -1.18 -4.91 116.67 115.15 3dfh s ASP 10 Ca -0.01 0.16 -0.02 0.00 2.13 0.00 0.00 52.55 54.81 3dfh s ASP 10 Cb 0.01 0.44 0.01 0.00 -1.45 0.00 0.00 42.92 41.93 3dfh s ASP 10 CO 0.12 -0.65 0.05 0.27 0.13 0.00 0.00 175.17 175.09 3dfh s ILE 11 N -2.67 -0.01 0.14 4.11 -5.25 -1.26 -1.90 121.20 114.36 3dfh s ILE 11 Ca 0.01 0.03 0.06 0.00 -0.99 0.00 0.00 60.65 59.75 3dfh s ILE 11 Cb -0.01 -0.09 -0.04 0.00 2.95 0.00 0.00 42.46 45.28 3dfh s ILE 11 CO -0.06 0.01 -0.13 -1.00 -1.79 0.00 0.00 174.94 171.98 3dfh s HIS 12 N 0.17 1.38 -0.18 1.37 3.76 -0.29 -4.98 115.29 116.52 3dfh s HIS 12 Ca -0.01 -0.63 -0.01 0.00 -0.15 0.00 0.00 55.06 54.26 3dfh s HIS 12 Cb -0.02 -0.70 0.05 0.00 1.11 0.00 0.00 32.58 33.02 3dfh s HIS 12 CO -0.00 0.15 -0.01 0.00 -0.85 0.00 0.00 174.74 174.02 3dfh s ILE 14 N 1.73 4.27 -0.18 0.00 1.01 0.97 -4.94 121.20 124.07 3dfh s ILE 14 Ca -0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 60.65 60.34 3dfh s ILE 14 Cb -0.16 -2.97 -0.05 0.00 0.01 0.00 0.00 42.46 39.29 3dfh s ILE 14 CO -0.07 0.38 0.20 -0.63 0.00 0.00 0.00 174.94 174.82 3dfh s ILE 15 N 1.24 5.37 0.04 2.92 1.01 -1.26 -0.62 121.20 129.90 3dfh s ILE 15 Ca 0.04 0.34 0.01 0.00 0.00 0.00 0.00 60.65 61.05 3dfh s ILE 15 Cb -0.15 -3.54 -0.02 0.00 0.01 0.00 0.00 42.46 38.76 3dfh s ILE 15 CO 0.03 0.42 -0.06 -0.89 0.00 0.00 0.00 174.94 174.44 3dfh s THR 16 N 0.39 0.39 -0.45 2.92 2.01 -0.56 -4.73 115.64 115.62 3dfh s THR 16 Ca 0.12 -1.11 0.08 0.00 0.31 0.00 0.00 61.69 61.09 3dfh s THR 16 Cb -0.12 -0.60 0.29 0.00 0.01 0.00 0.00 72.50 72.08 3dfh s THR 16 CO 0.00 -0.48 0.66 1.17 -0.69 0.00 0.00 174.62 175.29 3dfh n LYS 17 N 1.36 1.36 0.09 4.92 4.81 0.10 -0.18 118.16 130.62 3dfh n LYS 17 Ca -0.22 -3.69 0.12 0.00 -0.87 0.00 0.00 58.31 53.65 3dfh n LYS 17 Cb 0.55 -1.63 0.45 0.00 0.02 0.00 0.00 35.03 34.42 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 0.83 0.17 0.00 1.64 -0.04 -1.26 -4.81 135.00 131.54 3dfh n PRO 18 Ca 0.25 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.98 3dfh n PRO 18 Cb 0.53 -1.76 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 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 -2.07 0.00 0.03 3.54 4.64 -1.26 -4.41 116.55 117.02 3dfh n ASP 19 Ca 0.04 0.00 0.11 0.00 -1.38 0.00 0.00 54.79 53.56 3dfh n ASP 19 Cb 0.31 0.00 -0.04 0.00 -1.04 0.00 0.00 41.12 40.35 3dfh n ASP 19 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3dfh n ARG 20 N 0.00 0.42 -4.31 -0.67 5.12 -1.26 -4.98 116.66 110.98 3dfh n ARG 20 Ca 0.00 -0.03 -0.28 0.00 -1.93 0.00 0.00 57.85 55.61 3dfh n ARG 20 Cb 0.00 -1.61 -0.11 0.00 -1.16 0.00 0.00 32.46 29.58 3dfh n ARG 20 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 3dfh s HIS 21 N -3.29 2.54 -0.11 -1.55 3.76 -1.26 -5.09 115.29 110.28 3dfh s HIS 21 Ca 0.00 -0.26 -0.30 0.00 -0.15 0.00 0.00 55.06 54.36 3dfh s HIS 21 Cb 0.13 -1.31 -0.03 0.00 1.11 0.00 0.00 32.58 32.49 3dfh s HIS 21 CO 0.83 0.43 1.35 -0.80 -0.85 0.00 0.00 174.74 175.71 3dfh s ASN 22 N -2.39 6.89 -0.18 1.40 -0.87 -1.26 -4.31 114.94 114.22 3dfh s ASN 22 Ca 0.20 1.87 -0.02 0.00 -1.57 0.00 0.00 52.86 53.34 3dfh s ASN 22 Cb -0.10 -2.54 -0.01 0.00 -0.02 0.00 0.00 41.25 38.58 3dfh s ASN 22 CO 0.11 -0.77 -0.09 -0.76 -2.57 0.00 0.00 177.10 173.03 3dfh s LEU 23 N 3.31 2.81 -0.21 0.60 1.43 0.74 -4.70 118.68 122.66 3dfh s LEU 23 Ca 0.60 -0.36 -0.05 0.00 -1.03 0.00 0.00 54.13 53.28 3dfh s LEU 23 Cb -0.26 -1.68 -0.03 0.00 0.03 0.00 0.00 46.19 44.26 3dfh s LEU 23 CO 0.20 0.07 0.01 -0.63 0.23 0.00 0.00 176.35 176.23 3dfh s ILE 24 N 0.95 4.04 -0.09 -0.59 1.01 -1.24 -1.49 121.20 123.77 3dfh s ILE 24 Ca -0.01 -0.28 0.03 0.00 0.00 0.00 0.00 60.65 60.38 3dfh s ILE 24 Cb -0.15 -2.83 -0.01 0.00 0.01 0.00 0.00 42.46 39.48 3dfh s ILE 24 CO -0.00 0.42 -0.18 -0.89 0.00 0.00 0.00 174.94 174.28 3dfh s THR 25 N 1.07 2.62 -0.16 2.92 2.01 0.21 -2.01 115.64 122.31 3dfh s THR 25 Ca 0.03 -0.84 -0.06 0.00 0.31 0.00 0.00 61.69 61.13 3dfh s THR 25 Cb -0.14 -2.04 -0.04 0.00 0.01 0.00 0.00 72.50 70.29 3dfh s THR 25 CO 0.02 0.55 0.03 -0.69 -0.69 0.00 0.00 174.62 173.85 3dfh s VAL 26 N 0.03 4.56 -0.15 3.82 1.01 -0.05 -0.02 120.40 129.61 3dfh s VAL 26 Ca -0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 3dfh s VAL 26 Cb -0.15 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 3dfh s VAL 26 CO 0.05 0.50 -0.11 -0.69 0.00 0.00 0.00 175.10 174.85 3dfh s VAL 27 N 0.12 3.14 -0.18 2.92 1.01 0.23 -0.52 120.40 127.12 3dfh s VAL 27 Ca 0.03 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 3dfh s VAL 27 Cb -0.13 -2.35 -0.00 0.00 0.00 0.00 0.00 36.38 33.90 3dfh s VAL 27 CO 0.01 0.50 -0.11 -0.69 0.00 0.00 0.00 175.10 174.81 3dfh s VAL 28 N 0.59 2.93 0.13 2.92 1.01 0.07 -1.14 120.40 126.91 3dfh s VAL 28 Ca -0.07 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.29 3dfh s VAL 28 Cb -0.15 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 3dfh s VAL 28 CO 0.03 0.49 0.09 -1.61 0.00 0.00 0.00 175.10 174.10 3dfh s GLU 29 N 1.04 2.81 0.07 2.72 2.02 -0.80 -0.12 118.70 126.45 3dfh s GLU 29 Ca -0.01 -0.83 0.02 0.00 0.02 0.00 0.00 54.97 54.18 3dfh s GLU 29 Cb -0.15 -2.64 -0.03 0.00 0.10 0.00 0.00 34.13 31.41 3dfh s GLU 29 CO -0.02 0.52 -0.07 0.95 0.02 0.00 0.00 175.26 176.65 3dfh s THR 30 N -1.58 0.59 0.36 3.63 -4.23 -1.21 -0.39 115.64 112.81 3dfh s THR 30 Ca 0.29 -1.51 0.11 0.00 -1.18 0.00 0.00 61.69 59.40 3dfh s THR 30 Cb -0.11 -1.15 0.34 0.00 1.34 0.00 0.00 72.50 72.92 3dfh s THR 30 CO 0.22 -0.64 1.82 0.78 -0.54 0.00 0.00 174.62 176.26 3dfh h ASN 31 N 3.72 0.63 0.23 3.99 -0.26 -1.58 0.44 115.58 122.75 3dfh h ASN 31 Ca -0.35 0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.45 3dfh h ASN 31 Cb 1.18 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 38.39 3dfh h ASN 31 CO 0.53 0.26 0.00 -1.84 -1.06 0.00 0.00 177.43 175.32 3dfh n GLU 32 N -4.62 0.36 -0.96 0.81 0.00 -1.26 -4.89 120.64 110.08 3dfh n GLU 32 Ca 0.21 0.08 0.00 0.00 0.00 0.00 0.00 57.16 57.45 3dfh n GLU 32 Cb 0.60 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.54 3dfh n GLU 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3dfh n GLY 33 N 0.20 0.51 3.61 -1.84 0.00 0.16 -5.03 105.19 102.80 3dfh n GLY 33 Ca 0.10 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.00 5.04 -0.12 1.61 1.01 -1.26 -4.91 120.40 119.77 3dfh s VAL 34 Ca 0.00 0.87 -0.02 0.00 0.00 0.00 0.00 61.98 62.82 3dfh s VAL 34 Cb 0.00 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 3dfh s VAL 34 CO 0.00 0.04 -0.03 -0.89 0.00 0.00 0.00 175.10 174.21 3dfh s THR 35 N 2.37 3.95 0.11 3.92 2.01 -1.26 -3.30 115.64 123.43 3dfh s THR 35 Ca 0.22 -0.36 0.05 0.00 0.31 0.00 0.00 61.69 61.91 3dfh s THR 35 Cb -0.16 -2.69 -0.04 0.00 0.01 0.00 0.00 72.50 69.62 3dfh s THR 35 CO 0.10 0.54 0.02 -0.83 -0.69 0.00 0.00 174.62 173.75 3dfh s GLY 36 N -0.15 1.89 0.06 4.40 0.00 0.83 -4.69 107.32 109.66 3dfh s GLY 36 Ca 0.03 -1.15 0.07 0.00 0.00 0.00 0.00 44.72 43.67 3dfh s GLY 36 CO 0.02 -1.13 -0.19 -1.36 0.00 0.00 0.00 173.10 170.44 3dfh s PHE 37 N -1.40 1.63 0.24 1.90 0.08 -1.26 -0.75 117.98 118.42 3dfh s PHE 37 Ca 0.27 -0.38 -0.02 0.00 0.12 0.00 0.00 56.93 56.91 3dfh s PHE 37 Cb -0.11 -0.95 -0.03 0.00 -0.57 0.00 0.00 43.02 41.36 3dfh s PHE 37 CO 0.19 0.10 0.24 0.20 -0.10 0.00 0.00 175.22 175.85 3dfh s GLY 38 N -1.35 1.39 -0.06 4.36 0.00 0.32 -3.04 107.32 108.93 3dfh s GLY 38 Ca 0.05 -1.58 0.04 0.00 0.00 0.00 0.00 44.72 43.23 3dfh s GLY 38 CO 0.02 -1.24 -0.19 0.00 0.00 0.00 0.00 173.10 171.70 3dfh s ALA 40 N -0.32 2.76 -0.21 0.00 0.00 -0.85 -3.58 121.76 119.56 3dfh s ALA 40 Ca 0.02 -1.34 -0.02 0.00 0.00 0.00 0.00 51.96 50.62 3dfh s ALA 40 Cb -0.13 -0.70 0.06 0.00 0.00 0.00 0.00 23.12 22.35 3dfh s ALA 40 CO 0.02 0.60 0.02 0.95 0.00 0.00 0.00 175.76 177.35 3dfh s THR 41 N -1.20 0.80 -0.43 0.00 -4.23 -1.26 -3.71 115.64 105.61 3dfh s THR 41 Ca 0.19 -0.79 0.05 0.00 -1.18 0.00 0.00 61.69 59.96 3dfh s THR 41 Cb -0.11 -1.28 0.19 0.00 1.34 0.00 0.00 72.50 72.65 3dfh s THR 41 CO 0.11 -0.22 0.47 0.33 -0.54 0.00 0.00 174.62 174.77 3dfh n PHE 42 N 4.94 -1.52 -0.22 3.99 -0.00 -1.26 -4.94 117.46 118.45 3dfh n PHE 42 Ca -0.09 -2.90 0.02 0.00 -0.00 0.00 0.00 57.45 54.47 3dfh n PHE 42 Cb 0.46 0.46 0.13 0.00 -0.00 0.00 0.00 39.48 40.53 3dfh n PHE 42 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.76 177.13 3dfh h GLN 43 N 5.14 0.38 0.00 -4.13 5.75 -1.94 -1.35 115.11 118.96 3dfh h GLN 43 Ca 0.17 -0.02 -0.07 0.00 -0.15 0.00 0.00 58.65 58.58 3dfh h GLN 43 Cb 0.95 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.40 3dfh h GLN 43 CO 0.32 0.25 -0.32 1.96 -2.65 0.00 0.00 178.83 178.38 3dfh h GLN 44 N 0.39 0.00 -0.97 1.69 7.50 -1.96 -3.37 115.11 118.39 3dfh h GLN 44 Ca 0.34 0.00 -0.38 0.00 0.50 0.00 0.00 58.65 59.11 3dfh h GLN 44 Cb 0.48 0.00 -0.40 0.00 0.05 0.00 0.00 27.48 27.60 3dfh h GLN 44 CO -0.36 0.32 -1.10 0.54 -1.50 0.00 0.00 178.83 176.74 3dfh n ARG 45 N -3.45 1.70 -0.29 1.46 5.12 -0.59 -4.98 116.66 115.61 3dfh n ARG 45 Ca 0.00 -3.53 0.02 0.00 -1.93 0.00 0.00 57.85 52.42 3dfh n ARG 45 Cb 0.50 -1.50 0.22 0.00 -1.16 0.00 0.00 32.46 30.52 3dfh n ARG 45 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3dfh h PRO 46 N 2.83 1.04 -0.21 5.56 0.13 -1.50 -2.48 132.00 137.37 3dfh h PRO 46 Ca -0.03 -0.06 -0.12 0.00 -0.87 0.00 0.00 66.00 64.92 3dfh h PRO 46 Cb 1.17 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 3dfh h PRO 46 CO 0.51 0.69 -0.39 -0.07 -0.23 0.00 0.00 178.00 178.51 3dfh h LEU 47 N 1.07 0.50 -0.81 1.56 3.38 -1.94 -2.83 115.31 116.24 3dfh h LEU 47 Ca 0.36 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 58.16 3dfh h LEU 47 Cb 0.08 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 3dfh h LEU 47 CO -0.12 0.84 0.51 0.00 0.09 0.00 0.00 178.44 179.76 3dfh h ALA 48 N 1.19 1.08 -0.51 1.53 0.00 -1.85 -1.88 119.26 118.82 3dfh h ALA 48 Ca 0.04 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3dfh h ALA 48 Cb 0.85 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3dfh h ALA 48 CO 0.07 0.31 -0.02 0.28 0.00 0.00 0.00 179.25 179.89 3dfh h VAL 49 N 0.98 1.26 -0.15 0.00 2.07 -1.45 -2.36 116.25 116.61 3dfh h VAL 49 Ca 0.33 -1.12 -0.20 0.00 0.82 0.00 0.00 66.70 66.53 3dfh h VAL 49 Cb 0.05 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3dfh h VAL 49 CO -0.13 0.39 -0.72 0.50 0.02 0.00 0.00 177.57 177.64 3dfh h LYS 50 N 0.78 0.67 -0.54 1.57 3.64 -1.31 -1.35 116.57 120.03 3dfh h LYS 50 Ca 0.14 -0.52 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 3dfh h LYS 50 Cb 0.55 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 3dfh h LYS 50 CO 0.03 1.14 0.35 1.15 -2.27 0.00 0.00 179.45 179.85 3dfh h THR 51 N 0.47 1.14 -0.53 1.00 2.02 -1.41 -0.04 112.91 115.56 3dfh h THR 51 Ca -0.03 -0.26 0.03 0.00 0.77 0.00 0.00 66.41 66.92 3dfh h THR 51 Cb 1.32 0.35 -0.04 0.00 -1.74 0.00 0.00 68.15 68.05 3dfh h THR 51 CO 0.14 0.13 0.31 -0.03 0.37 0.00 0.00 175.52 176.45 3dfh h MET 52 N 0.73 0.61 0.12 6.66 1.85 -0.93 -0.87 114.93 123.09 3dfh h MET 52 Ca 0.20 -0.04 -0.01 0.00 -0.61 0.00 0.00 59.70 59.24 3dfh h MET 52 Cb -0.08 -0.14 0.00 0.00 0.43 0.00 0.00 31.60 31.81 3dfh h MET 52 CO -0.04 0.40 -0.06 0.28 -0.40 0.00 0.00 176.91 177.09 3dfh h VAL 53 N 0.62 1.05 -0.25 -5.77 2.07 -1.10 -1.74 116.25 111.14 3dfh h VAL 53 Ca 0.21 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 3dfh h VAL 53 Cb 0.03 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 3dfh h VAL 53 CO -0.10 0.19 0.09 0.44 0.02 0.00 0.00 177.57 178.22 3dfh h ASP 54 N -0.56 0.35 0.37 0.57 3.32 -0.94 0.98 116.42 120.51 3dfh h ASP 54 Ca -0.02 -0.18 -0.18 0.00 0.02 0.00 0.00 57.03 56.67 3dfh h ASP 54 Cb 0.45 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 3dfh h ASP 54 CO 0.03 0.44 -1.80 -0.62 -1.72 0.00 0.00 179.24 175.57 3dfh n GLU 55 N -4.77 0.65 -0.04 3.56 1.02 -0.34 -4.34 120.64 116.38 3dfh n GLU 55 Ca -0.03 0.07 -0.07 0.00 -0.02 0.00 0.00 57.16 57.10 3dfh n GLU 55 Cb 0.14 -1.67 -0.04 0.00 -0.02 0.00 0.00 31.44 29.86 3dfh n GLU 55 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3dfh n TYR 56 N -2.71 0.00 -0.05 -0.32 4.01 -0.94 -4.66 117.16 112.49 3dfh n TYR 56 Ca -0.15 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.47 3dfh n TYR 56 Cb 0.86 -0.32 -0.07 0.00 -0.31 0.00 0.00 39.34 39.50 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 -0.13 0.30 -0.15 7.72 3.38 -1.03 -3.34 115.31 122.07 3dfh h LEU 57 Ca -0.20 -0.44 0.04 0.00 0.09 0.00 0.00 57.88 57.37 3dfh h LEU 57 Cb 1.26 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 3dfh h LEU 57 CO -0.07 0.67 -0.09 0.50 0.09 0.00 0.00 178.44 179.54 3dfh h LYS 58 N -0.07 -0.08 -0.31 1.13 3.64 -1.00 -1.97 116.57 117.90 3dfh h LYS 58 Ca 0.03 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.49 3dfh h LYS 58 Cb 0.57 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 3dfh h LYS 58 CO 0.02 -0.05 0.22 -1.35 -2.27 0.00 0.00 179.45 176.02 3dfh h PRO 59 N -0.08 0.08 -0.61 1.90 0.11 -1.83 -1.83 132.00 129.75 3dfh h PRO 59 Ca 0.09 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.19 3dfh h PRO 59 Cb 0.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.30 3dfh h PRO 59 CO -0.20 0.06 0.00 0.44 -0.21 0.00 0.00 178.00 178.08 3dfh n ILE 60 N -4.46 1.17 0.00 4.15 -5.35 -0.75 -4.28 119.36 109.84 3dfh n ILE 60 Ca 0.04 -0.86 0.00 0.00 -0.27 0.00 0.00 62.75 61.66 3dfh n ILE 60 Cb 0.33 0.17 0.00 0.00 -1.74 0.00 0.00 39.64 38.40 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 0.97 0.85 -4.73 7.28 4.32 -0.73 -4.94 117.00 120.02 3dfh n LEU 61 Ca 0.20 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.76 3dfh n LEU 61 Cb 0.63 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.41 3dfh n LEU 61 CO 0.17 0.14 1.23 -0.38 -1.22 0.00 0.00 177.39 177.33 3dfh n ILE 62 N -1.97 0.82 -0.19 -0.08 2.08 -0.94 -1.58 119.36 117.50 3dfh n ILE 62 Ca 0.00 -0.20 0.00 0.00 0.56 0.00 0.00 62.75 63.11 3dfh n ILE 62 Cb 0.43 -1.88 0.00 0.00 -0.75 0.00 0.00 39.64 37.44 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 2.48 1.43 3.85 7.39 0.00 0.61 -4.97 105.19 115.98 3dfh n GLY 63 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.42 3.96 -0.58 1.61 -0.14 -0.62 -4.66 119.74 118.89 3dfh s LYS 64 Ca 0.00 0.87 -0.26 0.00 -1.36 0.00 0.00 55.97 55.21 3dfh s LYS 64 Cb 0.00 -2.21 0.04 0.00 -1.68 0.00 0.00 37.83 33.98 3dfh s LYS 64 CO 0.00 -0.16 1.09 1.21 -0.76 0.00 0.00 175.35 176.72 3dfh s ASN 65 N -2.91 6.37 0.63 2.83 2.47 -1.26 -1.05 114.94 122.01 3dfh s ASN 65 Ca 0.58 -0.17 0.35 0.00 0.42 0.00 0.00 52.86 54.04 3dfh s ASN 65 Cb -0.10 -2.50 2.02 0.00 -1.45 0.00 0.00 41.25 39.22 3dfh s ASN 65 CO 0.28 -1.40 2.25 0.00 -3.72 0.00 0.00 177.10 174.50 3dfh h ALA 66 N 9.49 1.36 -0.02 1.71 0.00 -0.74 -3.06 119.26 127.99 3dfh h ALA 66 Ca -0.26 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3dfh h ALA 66 Cb 1.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3dfh h ALA 66 CO 1.15 -0.08 -0.16 -0.91 0.00 0.00 0.00 179.25 179.25 3dfh h ASN 67 N 0.00 0.03 -1.48 0.00 2.35 -1.92 -3.30 115.58 111.26 3dfh h ASN 67 Ca 0.02 -0.01 -0.75 0.00 -0.55 0.00 0.00 56.30 55.01 3dfh h ASN 67 Cb 0.14 -0.01 -0.15 0.00 0.05 0.00 0.00 38.32 38.35 3dfh h ASN 67 CO -0.00 0.20 1.93 0.59 -1.65 0.00 0.00 177.43 178.50 3dfh n ASN 68 N -4.33 5.07 -0.16 5.81 3.02 -1.16 -4.82 115.26 118.70 3dfh n ASN 68 Ca -0.02 -3.07 -0.08 0.00 -0.03 0.00 0.00 54.58 51.38 3dfh n ASN 68 Cb 0.24 -1.51 0.01 0.00 -0.61 0.00 0.00 39.78 37.91 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 3.95 1.16 -0.23 2.41 2.04 -1.86 -2.23 117.51 122.75 3dfh h ILE 69 Ca 0.39 -0.40 -0.18 0.00 1.00 0.00 0.00 64.86 65.67 3dfh h ILE 69 Cb 0.68 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 3dfh h ILE 69 CO 1.56 0.17 -0.57 -0.08 0.00 0.00 0.00 178.15 179.23 3dfh h GLU 70 N 0.62 0.79 -0.47 2.37 4.81 -1.93 0.36 114.58 121.12 3dfh h GLU 70 Ca 0.17 -0.54 0.09 0.00 -0.13 0.00 0.00 59.36 58.94 3dfh h GLU 70 Cb 0.04 0.08 -0.08 0.00 0.63 0.00 0.00 28.75 29.42 3dfh h GLU 70 CO -0.03 1.17 0.02 0.22 -0.73 0.00 0.00 179.01 179.66 3dfh h ASP 71 N 0.54 -0.16 -0.56 1.04 3.58 -1.93 -1.27 116.42 117.66 3dfh h ASP 71 Ca -0.01 0.11 -0.08 0.00 0.42 0.00 0.00 57.03 57.47 3dfh h ASP 71 Cb 1.18 0.18 -0.02 0.00 1.72 0.00 0.00 39.33 42.39 3dfh h ASP 71 CO 0.12 -0.05 0.05 -0.07 -2.88 0.00 0.00 179.24 176.42 3dfh h LEU 72 N 0.14 0.95 -0.26 2.28 3.38 -1.09 -1.81 115.31 118.89 3dfh h LEU 72 Ca 0.24 -0.24 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3dfh h LEU 72 Cb 0.35 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3dfh h LEU 72 CO -0.38 0.98 -0.02 -0.25 0.09 0.00 0.00 178.44 178.86 3dfh h TRP 73 N 0.92 -0.05 -0.45 1.13 7.01 -0.51 -0.51 115.95 123.48 3dfh h TRP 73 Ca 0.18 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 61.11 3dfh h TRP 73 Cb 0.47 0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.57 3dfh h TRP 73 CO 0.03 -0.06 -0.04 0.37 -2.79 0.00 0.00 178.44 175.94 3dfh h GLN 74 N 0.05 0.83 -0.61 2.65 5.75 -1.09 -0.13 115.11 122.57 3dfh h GLN 74 Ca 0.12 -0.29 -0.04 0.00 -0.15 0.00 0.00 58.65 58.30 3dfh h GLN 74 Cb 0.17 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.63 3dfh h GLN 74 CO -0.23 0.91 0.22 1.98 -2.65 0.00 0.00 178.83 179.06 3dfh h MET 75 N 0.67 0.92 -0.44 1.69 4.05 -1.16 -2.96 114.93 117.70 3dfh h MET 75 Ca 0.12 -0.18 -0.02 0.00 -0.28 0.00 0.00 59.70 59.35 3dfh h MET 75 Cb 0.56 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 31.20 3dfh h MET 75 CO 0.03 0.80 0.21 0.52 0.23 0.00 0.00 176.91 178.69 3dfh h MET 76 N 0.85 0.64 0.00 0.39 2.86 -0.65 -2.76 114.93 116.26 3dfh h MET 76 Ca 0.20 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3dfh h MET 76 Cb 0.24 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 3dfh h MET 76 CO -0.01 0.56 -0.00 0.52 1.06 0.00 0.00 176.91 179.03 3dfh h MET 77 N 0.57 0.00 -0.01 1.72 2.07 -0.87 -2.14 114.93 116.27 3dfh h MET 77 Ca 0.15 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.78 3dfh h MET 77 Cb 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.86 3dfh h MET 77 CO -0.02 0.00 0.00 1.33 1.07 0.00 0.00 176.91 179.30 3dfh n VAL 78 N -3.10 0.01 0.24 -2.22 0.24 -1.14 -4.68 118.33 107.67 3dfh n VAL 78 Ca -0.01 -0.50 0.12 0.00 -2.04 0.00 0.00 64.34 61.90 3dfh n VAL 78 Cb 0.19 1.19 0.60 0.00 -1.47 0.00 0.00 33.84 34.36 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 1.87 0.00 -0.29 -1.34 -0.73 -1.09 -1.37 115.58 112.64 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 0.40 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.99 3dfh h ASN 79 CO 0.00 0.17 0.00 0.00 -0.37 0.00 0.00 177.43 177.23 3dfh n ALA 80 N -2.24 2.48 0.00 1.57 0.00 -1.26 -4.97 120.51 116.09 3dfh n ALA 80 Ca -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.76 3dfh n ALA 80 Cb 0.33 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 0.65 0.00 -1.84 0.00 9.36 -0.52 -4.81 117.16 120.00 3dfh n TYR 81 Ca 0.16 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 61.03 3dfh n TYR 81 Cb 0.38 0.00 0.05 0.00 -0.63 0.00 0.00 39.34 39.14 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 2.35 0.30 2.98 0.51 -1.26 -4.94 118.94 118.88 3dfh s TRP 82 Ca 0.00 1.54 -0.16 0.00 -2.12 0.00 0.00 56.10 55.37 3dfh s TRP 82 Cb 0.00 -3.42 0.02 0.00 -0.81 0.00 0.00 33.47 29.26 3dfh s TRP 82 CO 0.00 -2.20 0.63 -0.98 -0.51 0.00 0.00 176.95 173.90 3dfh s ARG 83 N -3.60 1.81 -0.27 4.98 1.70 -1.26 -4.85 118.95 117.45 3dfh s ARG 83 Ca 0.75 -1.23 -0.02 0.00 -0.47 0.00 0.00 55.73 54.75 3dfh s ARG 83 Cb -0.28 0.55 0.01 0.00 -0.57 0.00 0.00 34.95 34.66 3dfh s ARG 83 CO 0.37 -0.80 0.05 0.09 -1.08 0.00 0.00 175.30 173.92 3dfh n ASN 84 N -0.70 -6.61 -3.66 -2.89 3.02 -1.26 -5.08 115.26 98.07 3dfh n ASN 84 Ca -0.04 1.39 -0.04 0.00 -0.03 0.00 0.00 54.58 55.86 3dfh n ASN 84 Cb 0.60 -5.18 -0.01 0.00 -0.61 0.00 0.00 39.78 34.58 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 -1.43 -0.32 0.31 7.41 0.00 -1.26 -4.90 107.32 107.12 3dfh s GLY 85 Ca -0.05 0.50 0.12 0.00 0.00 0.00 0.00 44.72 45.28 3dfh s GLY 85 CO 0.76 0.13 1.68 -0.56 0.00 0.00 0.00 173.10 175.10 3dfh h PRO 86 N 2.00 0.00 0.05 2.90 0.13 -1.93 -1.83 132.00 133.32 3dfh h PRO 86 Ca -0.24 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3dfh h PRO 86 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3dfh h PRO 86 CO 0.27 0.54 -0.02 0.28 -0.23 0.00 0.00 178.00 178.83 3dfh h VAL 87 N 0.00 0.48 -0.70 1.56 2.07 -1.97 -3.05 116.25 114.64 3dfh h VAL 87 Ca -0.01 -1.28 0.05 0.00 0.82 0.00 0.00 66.70 66.29 3dfh h VAL 87 Cb 0.97 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 3dfh h VAL 87 CO 0.07 0.16 0.42 0.40 0.02 0.00 0.00 177.57 178.64 3dfh h ILE 88 N -1.00 1.03 -0.28 4.57 2.04 -1.95 -2.75 117.51 119.17 3dfh h ILE 88 Ca -0.01 -0.27 -0.14 0.00 1.00 0.00 0.00 64.86 65.44 3dfh h ILE 88 Cb 0.31 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 3dfh h ILE 88 CO 0.01 0.14 -0.40 0.78 0.00 0.00 0.00 178.15 178.68 3dfh h ASN 89 N 0.79 0.70 -0.24 1.72 4.21 -1.46 -1.71 115.58 119.60 3dfh h ASN 89 Ca 0.30 -0.32 -0.01 0.00 1.21 0.00 0.00 56.30 57.48 3dfh h ASN 89 Cb 0.11 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.10 3dfh h ASN 89 CO -0.15 1.02 0.11 0.78 -1.29 0.00 0.00 177.43 177.90 3dfh h ASN 90 N 0.54 0.32 -0.26 5.81 2.35 -1.44 -0.08 115.58 122.82 3dfh h ASN 90 Ca 0.04 -0.14 0.02 0.00 -0.55 0.00 0.00 56.30 55.67 3dfh h ASN 90 Cb 0.93 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 39.19 3dfh h ASN 90 CO 0.08 0.37 0.11 0.00 -1.65 0.00 0.00 177.43 176.34 3dfh h ALA 91 N 0.96 0.30 -0.65 -0.83 0.00 -1.27 -2.01 119.26 115.76 3dfh h ALA 91 Ca 0.08 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3dfh h ALA 91 Cb 0.15 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3dfh h ALA 91 CO -0.01 -0.29 0.28 0.82 0.00 0.00 0.00 179.25 180.05 3dfh h ILE 92 N 0.24 1.23 -0.98 0.00 2.04 -1.19 -2.75 117.51 116.11 3dfh h ILE 92 Ca 0.11 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.27 3dfh h ILE 92 Cb 0.06 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 36.56 3dfh h ILE 92 CO -0.09 0.28 0.63 0.77 0.00 0.00 0.00 178.15 179.73 3dfh h SER 93 N 0.92 1.15 -0.60 1.72 4.64 -0.81 0.93 113.55 121.50 3dfh h SER 93 Ca 0.22 -0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 61.43 3dfh h SER 93 Cb 0.17 -0.29 -0.03 0.00 -0.31 0.00 0.00 62.40 61.95 3dfh h SER 93 CO -0.02 0.85 0.14 1.23 -0.87 0.00 0.00 176.83 178.16 3dfh h GLY 94 N 1.34 1.08 0.95 -0.77 0.00 -1.12 -0.19 103.07 104.36 3dfh h GLY 94 Ca 0.36 -0.66 -0.07 0.00 0.00 0.00 0.00 47.33 46.96 3dfh h GLY 94 CO -0.07 0.62 -0.02 -2.08 0.00 0.00 0.00 176.54 174.98 3dfh h VAL 95 N 0.95 1.26 -0.72 4.60 2.07 -0.79 -2.59 116.25 121.03 3dfh h VAL 95 Ca 0.20 -1.05 0.06 0.00 0.82 0.00 0.00 66.70 66.74 3dfh h VAL 95 Cb 0.36 1.17 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 3dfh h VAL 95 CO 0.00 0.35 0.41 -0.78 0.02 0.00 0.00 177.57 177.58 3dfh h ASP 96 N 0.52 0.62 -0.51 0.57 1.82 0.12 -1.44 116.42 118.12 3dfh h ASP 96 Ca 0.11 0.03 -0.07 0.00 -0.39 0.00 0.00 57.03 56.71 3dfh h ASP 96 Cb 0.51 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.40 3dfh h ASP 96 CO 0.02 0.39 0.05 0.24 -1.61 0.00 0.00 179.24 178.34 3dfh h MET 97 N 0.75 0.86 -0.75 0.28 2.86 -0.98 -2.16 114.93 115.80 3dfh h MET 97 Ca 0.32 -0.25 0.03 0.00 -2.06 0.00 0.00 59.70 57.75 3dfh h MET 97 Cb 0.20 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.73 3dfh h MET 97 CO -0.19 0.87 0.49 0.00 1.06 0.00 0.00 176.91 179.15 3dfh h ALA 98 N 0.96 1.55 -0.50 6.32 0.00 -1.04 -0.18 119.26 126.37 3dfh h ALA 98 Ca 0.15 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3dfh h ALA 98 Cb 0.45 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3dfh h ALA 98 CO 0.02 0.38 -0.08 -0.07 0.00 0.00 0.00 179.25 179.50 3dfh h LEU 99 N 0.93 0.94 -0.90 0.00 3.38 -0.90 -1.05 115.31 117.71 3dfh h LEU 99 Ca 0.30 -0.34 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 3dfh h LEU 99 Cb 0.03 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3dfh h LEU 99 CO -0.08 1.06 -0.31 -0.50 0.09 0.00 0.00 178.44 178.70 3dfh h TRP 100 N 0.80 0.50 -0.07 1.13 4.06 -0.99 -1.29 115.95 120.09 3dfh h TRP 100 Ca 0.13 -0.12 0.00 0.00 2.06 0.00 0.00 58.89 60.97 3dfh h TRP 100 Cb 0.63 -0.12 -0.01 0.00 -1.00 0.00 0.00 29.16 28.67 3dfh h TRP 100 CO 0.05 0.70 0.03 0.22 -3.56 0.00 0.00 178.44 175.88 3dfh h ASP 101 N 0.38 0.04 -0.72 -3.49 3.58 -0.78 -1.16 116.42 114.27 3dfh h ASP 101 Ca 0.05 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.53 3dfh h ASP 101 Cb 0.74 -0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.74 3dfh h ASP 101 CO 0.06 0.03 0.46 0.40 -2.88 0.00 0.00 179.24 177.31 3dfh h ILE 102 N 0.07 1.12 -0.62 2.25 2.04 -0.81 -0.05 117.51 121.50 3dfh h ILE 102 Ca 0.03 -0.31 -0.05 0.00 1.00 0.00 0.00 64.86 65.52 3dfh h ILE 102 Cb 0.01 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.20 3dfh h ILE 102 CO -0.03 0.17 0.18 0.50 0.00 0.00 0.00 178.15 178.97 3dfh h LYS 103 N 0.91 0.98 -0.49 2.37 3.64 -1.03 -0.33 116.57 122.62 3dfh h LYS 103 Ca 0.28 -0.22 -0.12 0.00 -1.27 0.00 0.00 60.65 59.32 3dfh h LYS 103 Cb -0.02 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 3dfh h LYS 103 CO -0.10 0.88 -0.17 0.00 -2.27 0.00 0.00 179.45 177.79 3dfh h ALA 104 N 1.06 0.68 -0.49 5.00 0.00 -0.81 0.85 119.26 125.55 3dfh h ALA 104 Ca 0.20 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.77 3dfh h ALA 104 Cb 0.32 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3dfh h ALA 104 CO -0.00 0.64 0.26 0.87 0.00 0.00 0.00 179.25 181.01 3dfh h LYS 105 N 0.84 0.50 -0.57 0.00 1.57 -0.80 -0.67 116.57 117.43 3dfh h LYS 105 Ca 0.12 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 3dfh h LYS 105 Cb 0.74 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 3dfh h LYS 105 CO 0.06 0.33 0.00 -0.07 -0.57 0.00 0.00 179.45 179.20 3dfh h LEU 106 N 0.51 0.99 -0.58 2.94 3.38 -0.78 -0.69 115.31 121.08 3dfh h LEU 106 Ca 0.21 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3dfh h LEU 106 Cb 0.09 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3dfh h LEU 106 CO -0.13 1.06 0.00 0.00 0.09 0.00 0.00 178.44 179.45 3dfh n ALA 107 N -2.47 1.35 -1.46 1.53 0.00 0.27 -4.90 120.51 114.84 3dfh n ALA 107 Ca 0.02 0.07 -0.09 0.00 0.00 0.00 0.00 53.44 53.43 3dfh n ALA 107 Cb 0.34 -1.25 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 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 -0.67 0.88 3.11 0.00 0.00 -0.27 -4.99 105.19 103.24 3dfh n GLY 108 Ca 0.01 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.14 0.66 0.59 1.61 0.23 -0.47 -4.70 119.30 114.08 3dfh s MET 109 Ca 0.00 -0.97 -0.19 0.00 -1.03 0.00 0.00 55.69 53.50 3dfh s MET 109 Cb 0.00 -0.31 -0.05 0.00 -1.53 0.00 0.00 34.83 32.94 3dfh s MET 109 CO 0.00 0.04 1.00 -2.30 -2.03 0.00 0.00 175.02 171.72 3dfh n PRO 110 N 0.94 0.98 -0.26 3.16 -0.02 -1.25 -1.59 135.00 136.95 3dfh n PRO 110 Ca -0.19 0.37 0.04 0.00 -2.02 0.00 0.00 63.50 61.71 3dfh n PRO 110 Cb 0.57 -2.19 0.18 0.00 -0.02 0.00 0.00 33.50 32.04 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 0.42 -1.61 2.45 5.85 -1.45 -1.39 115.31 120.19 3dfh h LEU 111 Ca -0.48 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.29 3dfh h LEU 111 Cb 1.36 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 3dfh h LEU 111 CO 0.52 0.20 -0.17 1.12 -0.34 0.00 0.00 178.44 179.76 3dfh h HIS 112 N 0.55 0.00 -0.06 1.25 2.07 -1.87 -2.15 115.15 114.95 3dfh h HIS 112 Ca 0.40 0.00 -0.18 0.00 -2.85 0.00 0.00 60.37 57.75 3dfh h HIS 112 Cb 0.54 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.51 3dfh h HIS 112 CO -0.12 0.17 -0.72 1.96 -3.07 0.00 0.00 177.93 176.15 3dfh h GLN 113 N 0.00 0.31 -0.42 5.12 1.08 -1.56 -2.13 115.11 117.51 3dfh h GLN 113 Ca -0.00 -0.26 0.06 0.00 -1.45 0.00 0.00 58.65 57.01 3dfh h GLN 113 Cb 0.50 0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 27.93 3dfh h GLN 113 CO 0.02 0.90 0.10 1.25 -0.95 0.00 0.00 178.83 180.16 3dfh h LEU 114 N 0.21 0.04 -2.37 1.46 5.85 -1.05 -1.23 115.31 118.23 3dfh h LEU 114 Ca -0.03 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3dfh h LEU 114 Cb 1.29 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.40 3dfh h LEU 114 CO 0.12 0.06 -0.03 -0.26 -0.34 0.00 0.00 178.44 177.99 3dfh h PHE 115 N 0.24 0.00 0.00 1.25 0.04 -1.36 -3.45 116.94 113.65 3dfh h PHE 115 Ca 0.20 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.97 3dfh h PHE 115 Cb 0.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.38 3dfh h PHE 115 CO -0.19 0.03 0.00 0.41 -0.60 0.00 0.00 178.31 177.95 3dfh n GLY 116 N -1.17 -0.05 0.00 -1.45 0.00 -0.47 -5.12 105.19 96.93 3dfh n GLY 116 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 1.33 3.77 -0.02 0.00 -0.81 -4.99 105.19 104.46 3dfh n GLY 117 Ca 0.00 -2.22 -0.39 0.00 0.00 0.00 0.00 46.02 43.41 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 -1.24 4.38 0.12 1.61 1.02 -1.26 -4.39 119.74 119.98 3dfh s LYS 118 Ca 0.00 0.88 0.23 0.00 0.02 0.00 0.00 55.97 57.10 3dfh s LYS 118 Cb 0.00 -3.31 -0.02 0.00 -0.52 0.00 0.00 37.83 33.98 3dfh s LYS 118 CO 0.00 0.44 0.97 0.43 -0.92 0.00 0.00 175.35 176.26 3dfh n SER 119 N 2.36 0.64 -3.79 2.83 7.64 0.16 -4.97 113.62 118.49 3dfh n SER 119 Ca -0.06 0.13 -0.10 0.00 1.01 0.00 0.00 58.87 59.85 3dfh n SER 119 Cb 0.50 0.77 -0.05 0.00 -1.01 0.00 0.00 64.21 64.42 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 -3.33 1.20 0.30 1.43 1.70 -1.10 -5.06 118.95 114.10 3dfh s ARG 120 Ca -0.00 -0.93 0.19 0.00 -0.47 0.00 0.00 55.73 54.52 3dfh s ARG 120 Cb 0.12 0.45 0.13 0.00 -0.57 0.00 0.00 34.95 35.08 3dfh s ARG 120 CO 0.81 -0.48 1.39 -0.44 -1.08 0.00 0.00 175.30 175.50 3dfh h ASP 121 N 2.38 0.00 -5.30 -2.89 3.32 -1.95 -3.46 116.42 108.52 3dfh h ASP 121 Ca -0.31 0.00 0.15 0.00 0.02 0.00 0.00 57.03 56.89 3dfh h ASP 121 Cb 1.25 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.74 3dfh h ASP 121 CO 0.44 0.29 0.48 0.00 -1.72 0.00 0.00 179.24 178.73 3dfh s ALA 122 N -3.08 -1.53 -0.05 3.45 0.00 -1.26 -4.62 121.76 114.67 3dfh s ALA 122 Ca 0.04 -0.09 0.05 0.00 0.00 0.00 0.00 51.96 51.96 3dfh s ALA 122 Cb 0.07 0.69 -0.01 0.00 0.00 0.00 0.00 23.12 23.87 3dfh s ALA 122 CO 0.73 -1.05 -0.22 -1.50 0.00 0.00 0.00 175.76 173.73 3dfh s ILE 123 N -2.97 1.79 0.76 0.00 1.10 -0.00 -4.92 121.20 116.95 3dfh s ILE 123 Ca 0.15 -0.92 -0.15 0.00 -0.51 0.00 0.00 60.65 59.22 3dfh s ILE 123 Cb -0.02 -1.52 0.05 0.00 0.15 0.00 0.00 42.46 41.12 3dfh s ILE 123 CO 0.04 0.50 1.17 -2.65 -2.11 0.00 0.00 174.94 171.90 3dfh n PRO 124 N 2.98 0.44 -4.70 3.50 -0.02 -1.26 -0.87 135.00 135.07 3dfh n PRO 124 Ca -0.17 0.22 -0.29 0.00 -2.02 0.00 0.00 63.50 61.24 3dfh n PRO 124 Cb 0.52 -2.42 -0.14 0.00 -0.02 0.00 0.00 33.50 31.45 3dfh n PRO 124 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3dfh s VAL 125 N -1.91 2.09 0.22 -1.45 1.01 -0.57 -0.33 120.40 119.46 3dfh s VAL 125 Ca 0.75 -1.47 0.10 0.00 0.00 0.00 0.00 61.98 61.36 3dfh s VAL 125 Cb -0.32 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 3dfh s VAL 125 CO 0.48 0.25 -0.12 -0.72 0.00 0.00 0.00 175.10 174.99 3dfh s TYR 126 N -0.89 2.53 0.34 5.22 -0.85 -0.53 -4.35 117.35 118.83 3dfh s TYR 126 Ca 0.11 -0.26 0.01 0.00 -0.52 0.00 0.00 57.07 56.41 3dfh s TYR 126 Cb -0.10 -1.20 -0.00 0.00 0.38 0.00 0.00 41.96 41.04 3dfh s TYR 126 CO 0.03 0.56 0.02 0.25 -1.52 0.00 0.00 175.55 174.90 3dfh n THR 127 N -0.21 0.00 -4.11 -3.49 -2.24 -1.10 -1.15 114.28 101.97 3dfh n THR 127 Ca -0.09 -1.68 -0.32 0.00 -2.27 0.00 0.00 64.05 59.69 3dfh n THR 127 Cb 0.57 0.40 -0.16 0.00 -2.10 0.00 0.00 70.33 69.03 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 -2.36 2.50 -0.50 4.78 0.09 -1.26 -0.60 115.29 117.93 3dfh s HIS 128 Ca 0.03 -1.44 0.04 0.00 -0.00 0.00 0.00 55.06 53.69 3dfh s HIS 128 Cb 0.00 -1.77 0.13 0.00 -0.00 0.00 0.00 32.58 30.94 3dfh s HIS 128 CO 0.02 -0.73 0.25 0.00 -0.00 0.00 0.00 174.74 174.28 3dfh s ALA 129 N 1.34 3.16 -0.14 -1.40 0.00 0.56 -4.95 121.76 120.33 3dfh s ALA 129 Ca 0.04 -3.17 -0.02 0.00 0.00 0.00 0.00 51.96 48.82 3dfh s ALA 129 Cb -0.13 -2.12 -0.02 0.00 0.00 0.00 0.00 23.12 20.85 3dfh s ALA 129 CO -0.11 -2.01 -0.09 0.99 0.00 0.00 0.00 175.76 174.54 3dfh s THR 130 N -0.17 3.41 0.30 0.00 2.01 -1.26 -1.19 115.64 118.74 3dfh s THR 130 Ca 0.17 -0.53 -0.17 0.00 0.31 0.00 0.00 61.69 61.46 3dfh s THR 130 Cb -0.25 -2.46 0.02 0.00 0.01 0.00 0.00 72.50 69.81 3dfh s THR 130 CO -0.00 0.51 0.67 -0.55 -0.69 0.00 0.00 174.62 174.56 3dfh s SER 131 N 0.36 -0.12 0.00 3.53 0.15 -0.70 -4.88 113.70 112.03 3dfh s SER 131 Ca -0.08 -0.82 0.26 0.00 0.70 0.00 0.00 55.95 56.01 3dfh s SER 131 Cb -0.15 0.72 0.72 0.00 -1.71 0.00 0.00 66.02 65.60 3dfh s SER 131 CO 0.05 -1.37 1.55 0.47 1.20 0.00 0.00 173.24 175.13 3dfh n ASP 132 N -0.67 0.72 -4.22 5.45 8.00 -1.26 0.11 116.55 124.67 3dfh n ASP 132 Ca -0.04 -0.54 -0.17 0.00 0.71 0.00 0.00 54.79 54.74 3dfh n ASP 132 Cb 0.60 0.14 -0.11 0.00 -0.02 0.00 0.00 41.12 41.72 3dfh n ASP 132 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3dfh s THR 133 N -2.72 1.22 0.43 -3.53 -4.23 -1.26 -4.65 115.64 100.90 3dfh s THR 133 Ca 0.19 -1.65 0.09 0.00 -1.18 0.00 0.00 61.69 59.13 3dfh s THR 133 Cb 0.19 -1.44 0.27 0.00 1.34 0.00 0.00 72.50 72.85 3dfh s THR 133 CO 0.59 -0.42 2.07 0.24 -0.54 0.00 0.00 174.62 176.56 3dfh h MET 134 N 3.61 0.44 -0.08 3.99 2.86 -2.00 -2.22 114.93 121.54 3dfh h MET 134 Ca -0.39 -0.03 -0.18 0.00 -2.06 0.00 0.00 59.70 57.04 3dfh h MET 134 Cb 1.19 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.75 3dfh h MET 134 CO 0.50 0.29 -0.72 0.93 1.06 0.00 0.00 176.91 178.97 3dfh h GLU 135 N 0.45 0.40 -0.51 1.72 4.39 -1.99 0.76 114.58 119.80 3dfh h GLU 135 Ca 0.12 -0.33 -0.07 0.00 0.34 0.00 0.00 59.36 59.43 3dfh h GLU 135 Cb -0.05 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 3dfh h GLU 135 CO -0.03 0.97 0.04 0.78 -1.16 0.00 0.00 179.01 179.62 3dfh h GLY 136 N 1.28 0.89 0.87 -3.84 0.00 -1.91 -1.10 103.07 99.26 3dfh h GLY 136 Ca -0.03 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 3dfh h GLY 136 CO 0.12 0.53 0.06 -2.22 0.00 0.00 0.00 176.54 175.04 3dfh h ILE 137 N 0.78 1.18 -0.50 2.60 2.04 -1.10 -2.21 117.51 120.30 3dfh h ILE 137 Ca 0.16 -0.57 0.10 0.00 1.00 0.00 0.00 64.86 65.55 3dfh h ILE 137 Cb 0.41 1.19 -0.10 0.00 -0.74 0.00 0.00 36.82 37.58 3dfh h ILE 137 CO 0.01 0.18 -0.13 1.88 0.00 0.00 0.00 178.15 180.09 3dfh h TYR 138 N 0.14 -0.28 -0.06 1.37 0.05 -0.41 -0.14 116.97 117.64 3dfh h TYR 138 Ca 0.06 0.05 0.03 0.00 0.05 0.00 0.00 58.73 58.92 3dfh h TYR 138 Cb 0.22 0.20 -0.04 0.00 1.01 0.00 0.00 36.73 38.12 3dfh h TYR 138 CO -0.00 -0.22 -0.18 -0.44 -1.05 0.00 0.00 178.16 176.27 3dfh h ASP 139 N -0.01 -0.53 -0.44 3.88 3.32 -1.15 -0.07 116.42 121.42 3dfh h ASP 139 Ca 0.24 0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.41 3dfh h ASP 139 Cb 0.37 0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.12 3dfh h ASP 139 CO -0.52 -0.23 0.22 -0.07 -1.72 0.00 0.00 179.24 176.92 3dfh h LEU 140 N -0.26 0.33 -0.33 1.55 3.38 -1.00 -1.56 115.31 117.41 3dfh h LEU 140 Ca 0.07 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.10 3dfh h LEU 140 Cb 0.36 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3dfh h LEU 140 CO -0.21 0.23 0.13 0.58 0.09 0.00 0.00 178.44 179.27 3dfh h VAL 141 N 0.45 0.93 -0.47 1.22 2.07 -0.68 -1.00 116.25 118.76 3dfh h VAL 141 Ca 0.19 -0.10 -0.11 0.00 0.82 0.00 0.00 66.70 67.50 3dfh h VAL 141 Cb 0.09 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3dfh h VAL 141 CO -0.13 0.05 -0.13 -0.33 0.02 0.00 0.00 177.57 177.05 3dfh h GLU 142 N 0.29 0.93 -0.59 1.57 5.08 -0.81 0.23 114.58 121.28 3dfh h GLU 142 Ca 0.15 -0.36 0.08 0.00 -1.00 0.00 0.00 59.36 58.22 3dfh h GLU 142 Cb 0.10 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.23 3dfh h GLU 142 CO -0.13 1.02 0.24 0.78 -1.00 0.00 0.00 179.01 179.92 3dfh h GLY 143 N 0.78 0.83 1.28 -3.84 0.00 -0.74 -1.77 103.07 99.62 3dfh h GLY 143 Ca 0.12 -0.14 -0.13 0.00 0.00 0.00 0.00 47.33 47.18 3dfh h GLY 143 CO 0.05 0.02 -0.27 0.74 0.00 0.00 0.00 176.54 177.08 3dfh h PHE 144 N 0.45 0.93 -0.49 5.60 0.04 -0.47 -2.92 116.94 120.08 3dfh h PHE 144 Ca 0.29 -0.23 -0.07 0.00 2.80 0.00 0.00 57.97 60.76 3dfh h PHE 144 Cb 0.32 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 3dfh h PHE 144 CO -0.15 0.99 0.05 -0.07 -0.60 0.00 0.00 178.31 178.53 3dfh h LEU 145 N 0.69 0.81 -1.62 1.54 3.38 -0.63 -1.92 115.31 117.57 3dfh h LEU 145 Ca 0.08 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 3dfh h LEU 145 Cb 0.81 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3dfh h LEU 145 CO 0.07 0.89 0.05 -0.33 0.09 0.00 0.00 178.44 179.21 3dfh h GLU 146 N 0.71 0.30 -0.02 1.13 5.08 -1.32 -1.29 114.58 119.17 3dfh h GLU 146 Ca 0.15 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3dfh h GLU 146 Cb 0.45 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3dfh h GLU 146 CO 0.02 0.28 0.00 1.63 -1.00 0.00 0.00 179.01 179.93 3dfh n LYS 147 N -4.42 1.16 -0.29 2.33 5.02 -0.90 -4.91 118.16 116.15 3dfh n LYS 147 Ca 0.00 -0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.06 3dfh n LYS 147 Cb 0.14 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 3dfh n LYS 147 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dfh n GLY 148 N 0.97 0.79 3.76 0.72 0.00 -0.48 -4.13 105.19 106.81 3dfh n GLY 148 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.18 3.30 0.00 1.61 2.02 -0.77 -3.97 117.35 117.36 3dfh s TYR 149 Ca 0.00 1.56 0.00 0.00 -0.37 0.00 0.00 57.07 58.26 3dfh s TYR 149 Cb 0.00 -3.47 0.00 0.00 -0.40 0.00 0.00 41.96 38.09 3dfh s TYR 149 CO 0.00 -1.19 0.86 1.63 -1.57 0.00 0.00 175.55 175.28 3dfh n LYS 150 N 0.92 1.88 -3.72 -0.62 4.76 -1.26 -4.43 118.16 115.68 3dfh n LYS 150 Ca -0.00 -1.22 -0.14 0.00 -2.87 0.00 0.00 58.31 54.08 3dfh n LYS 150 Cb 0.44 -1.00 -0.14 0.00 -1.84 0.00 0.00 35.03 32.49 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 -0.72 -0.21 -0.03 2.13 3.76 -1.26 -1.01 115.29 117.95 3dfh s HIS 151 Ca 0.00 0.58 -0.01 0.00 -0.15 0.00 0.00 55.06 55.48 3dfh s HIS 151 Cb 0.00 -0.10 0.03 0.00 1.11 0.00 0.00 32.58 33.62 3dfh s HIS 151 CO 0.00 -0.21 0.06 0.42 -0.85 0.00 0.00 174.74 174.16 3dfh s ILE 152 N 1.47 -0.04 -0.21 0.60 1.01 -0.11 -2.72 121.20 121.20 3dfh s ILE 152 Ca -0.06 0.15 -0.22 0.00 0.00 0.00 0.00 60.65 60.52 3dfh s ILE 152 Cb -0.12 -0.12 -0.02 0.00 0.01 0.00 0.00 42.46 42.22 3dfh s ILE 152 CO -0.06 0.06 0.67 -0.60 0.00 0.00 0.00 174.94 175.01 3dfh s ARG 153 N 0.82 4.20 -0.20 2.79 3.52 0.23 -1.36 118.95 128.95 3dfh s ARG 153 Ca -0.07 0.68 0.00 0.00 -0.13 0.00 0.00 55.73 56.21 3dfh s ARG 153 Cb -0.09 -3.60 0.02 0.00 -1.56 0.00 0.00 34.95 29.72 3dfh s ARG 153 CO -0.03 -0.31 -0.15 0.00 -0.81 0.00 0.00 175.30 174.00 3dfh s GLN 155 N 1.31 2.04 -0.38 0.00 -1.52 -0.34 -4.68 119.66 116.09 3dfh s GLN 155 Ca 0.03 -0.80 -0.22 0.00 -1.95 0.00 0.00 55.36 52.43 3dfh s GLN 155 Cb -0.14 -2.37 0.01 0.00 -0.22 0.00 0.00 33.01 30.29 3dfh s GLN 155 CO -0.10 -0.41 0.70 -1.17 -0.25 0.00 0.00 175.29 174.07 3dfh s LEU 156 N 1.41 4.24 0.00 2.90 2.96 -1.26 -1.73 118.68 127.20 3dfh s LEU 156 Ca -0.00 0.13 0.00 0.00 -0.22 0.00 0.00 54.13 54.04 3dfh s LEU 156 Cb -0.16 -2.88 0.00 0.00 0.50 0.00 0.00 46.19 43.65 3dfh s LEU 156 CO -0.08 -0.70 0.00 0.61 -1.32 0.00 0.00 176.35 174.85 3dfh n GLY 157 N 4.70 -2.22 2.64 7.98 0.00 0.30 -4.90 105.19 113.69 3dfh n GLY 157 Ca 0.01 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.57 3dfh n GLY 157 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3dfh n PHE 158 N -0.22 3.45 0.00 1.61 -0.00 -1.26 -4.79 117.46 116.24 3dfh n PHE 158 Ca 0.00 -3.15 0.00 0.00 -0.00 0.00 0.00 57.45 54.30 3dfh n PHE 158 Cb 0.00 -0.38 0.00 0.00 -0.00 0.00 0.00 39.48 39.10 3dfh n PHE 158 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3dfh n ASP 179 N -0.42 0.00 -0.12 -2.13 2.03 -1.26 -5.20 116.55 109.45 3dfh n ASP 179 Ca 0.40 0.03 -0.01 0.00 0.52 0.00 0.00 54.79 55.74 3dfh n ASP 179 Cb 0.53 0.00 0.25 0.00 -0.72 0.00 0.00 41.12 41.18 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 0.79 -0.14 -0.67 4.20 -1.98 0.53 115.11 117.84 3dfh h GLN 180 Ca 0.00 -0.11 0.01 0.00 0.06 0.00 0.00 58.65 58.61 3dfh h GLN 180 Cb 0.00 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 3dfh h GLN 180 CO 0.00 0.64 0.07 -0.44 -0.67 0.00 0.00 178.83 178.43 3dfh h ASP 181 N 0.79 0.11 -0.72 1.46 3.32 -1.99 0.46 116.42 119.86 3dfh h ASP 181 Ca 0.19 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 3dfh h ASP 181 Cb 0.13 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 3dfh h ASP 181 CO -0.02 0.09 0.32 -0.61 -1.72 0.00 0.00 179.24 177.30 3dfh h GLN 182 N 0.16 1.04 -0.17 3.56 4.15 -1.95 -0.49 115.11 121.41 3dfh h GLN 182 Ca 0.06 -0.17 0.02 0.00 0.77 0.00 0.00 58.65 59.33 3dfh h GLN 182 Cb 0.00 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.49 3dfh h GLN 182 CO -0.03 0.84 0.04 -0.92 -1.93 0.00 0.00 178.83 176.82 3dfh h TYR 183 N 1.01 0.07 -0.16 3.99 3.20 -0.77 0.42 116.97 124.73 3dfh h TYR 183 Ca 0.24 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.13 3dfh h TYR 183 Cb 0.15 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 3dfh h TYR 183 CO 0.01 0.03 0.10 0.52 -1.64 0.00 0.00 178.16 177.18 3dfh h MET 184 N 0.12 0.20 0.11 1.82 2.86 -0.69 -1.19 114.93 118.16 3dfh h MET 184 Ca 0.08 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3dfh h MET 184 Cb 0.06 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 3dfh h MET 184 CO -0.09 0.13 -0.07 -0.44 1.06 0.00 0.00 176.91 177.50 3dfh h ASP 185 N 0.21 -0.18 -0.82 1.22 3.32 -0.95 -0.19 116.42 119.02 3dfh h ASP 185 Ca 0.06 0.01 0.12 0.00 0.02 0.00 0.00 57.03 57.24 3dfh h ASP 185 Cb -0.02 0.06 -0.08 0.00 0.22 0.00 0.00 39.33 39.51 3dfh h ASP 185 CO -0.02 -0.12 0.43 0.78 -1.72 0.00 0.00 179.24 178.59 3dfh h ASN 186 N -0.18 0.56 -0.29 6.45 -0.26 -0.85 -0.02 115.58 120.99 3dfh h ASN 186 Ca -0.01 0.07 -0.18 0.00 -0.56 0.00 0.00 56.30 55.63 3dfh h ASN 186 Cb 0.16 -0.02 -0.00 0.00 -1.06 0.00 0.00 38.32 37.39 3dfh h ASN 186 CO 0.01 0.28 -0.50 0.74 -1.06 0.00 0.00 177.43 176.89 3dfh h THR 187 N 0.67 1.28 -0.78 2.81 2.02 -0.71 0.87 112.91 119.07 3dfh h THR 187 Ca 0.42 -1.69 -0.03 0.00 0.77 0.00 0.00 66.41 65.89 3dfh h THR 187 Cb 0.51 1.62 -0.04 0.00 -1.74 0.00 0.00 68.15 68.50 3dfh h THR 187 CO -0.31 0.55 0.38 -0.07 0.37 0.00 0.00 175.52 176.44 3dfh h LEU 188 N 0.64 1.01 -0.24 2.58 3.38 -0.91 -1.01 115.31 120.78 3dfh h LEU 188 Ca 0.02 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.88 3dfh h LEU 188 Cb 1.11 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 3dfh h LEU 188 CO 0.11 0.86 0.09 0.74 0.09 0.00 0.00 178.44 180.33 3dfh h THR 189 N 1.10 0.95 -0.23 0.22 2.02 -0.64 -0.74 112.91 115.59 3dfh h THR 189 Ca 0.27 -0.07 0.06 0.00 0.77 0.00 0.00 66.41 67.44 3dfh h THR 189 Cb 0.11 0.73 -0.07 0.00 -1.74 0.00 0.00 68.15 67.17 3dfh h THR 189 CO -0.04 0.04 -0.25 -0.03 0.37 0.00 0.00 175.52 175.61 3dfh h MET 190 N 0.21 -0.26 -0.33 6.66 1.85 -0.54 0.17 114.93 122.68 3dfh h MET 190 Ca 0.10 0.02 0.02 0.00 -0.61 0.00 0.00 59.70 59.23 3dfh h MET 190 Cb 0.06 0.06 -0.03 0.00 0.43 0.00 0.00 31.60 32.12 3dfh h MET 190 CO -0.10 -0.17 0.17 0.74 -0.40 0.00 0.00 176.91 177.15 3dfh h PHE 191 N -0.27 0.32 -0.06 1.39 0.04 -0.89 0.36 116.94 117.83 3dfh h PHE 191 Ca 0.13 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.95 3dfh h PHE 191 Cb 0.47 -0.09 -0.04 0.00 2.20 0.00 0.00 35.95 38.48 3dfh h PHE 191 CO -0.39 0.17 -0.15 -0.22 -0.60 0.00 0.00 178.31 177.12 3dfh h LYS 192 N 0.35 -0.22 -0.23 1.51 3.64 -0.48 -1.76 116.57 119.39 3dfh h LYS 192 Ca 0.14 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3dfh h LYS 192 Cb 0.04 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3dfh h LYS 192 CO -0.09 -0.14 0.15 0.77 -2.27 0.00 0.00 179.45 177.86 3dfh h SER 193 N -0.22 0.26 -0.95 4.20 0.02 -0.34 -1.70 113.55 114.82 3dfh h SER 193 Ca 0.07 -0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.05 3dfh h SER 193 Cb 0.32 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.74 3dfh h SER 193 CO -0.20 0.20 0.61 -0.07 -1.14 0.00 0.00 176.83 176.24 3dfh h LEU 194 N 0.30 1.00 -0.01 5.07 3.38 -0.68 0.20 115.31 124.58 3dfh h LEU 194 Ca 0.08 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3dfh h LEU 194 Cb -0.02 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 3dfh h LEU 194 CO -0.02 0.67 -0.00 0.03 0.09 0.00 0.00 178.44 179.21 3dfh h ARG 195 N 1.16 0.01 -1.00 1.13 2.47 -1.10 0.11 114.38 117.17 3dfh h ARG 195 Ca 0.39 -0.01 0.15 0.00 -1.26 0.00 0.00 59.98 59.26 3dfh h ARG 195 Cb 0.06 -0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 28.29 3dfh h ARG 195 CO -0.14 0.45 0.62 0.93 0.56 0.00 0.00 179.97 182.39 3dfh h GLU 196 N -0.42 0.85 0.17 0.04 5.08 -1.12 1.26 114.58 120.45 3dfh h GLU 196 Ca 0.00 -0.05 -0.31 0.00 -1.00 0.00 0.00 59.36 58.00 3dfh h GLU 196 Cb 0.44 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.51 3dfh h GLU 196 CO 0.00 0.56 -1.45 -0.22 -1.00 0.00 0.00 179.01 176.91 3dfh h LYS 197 N 0.88 0.36 0.00 2.33 3.64 -0.87 -3.41 116.57 119.51 3dfh h LYS 197 Ca 0.53 -0.62 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3dfh h LYS 197 Cb 0.69 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 3dfh h LYS 197 CO -0.32 1.28 0.00 0.66 -2.27 0.00 0.00 179.45 178.80 3dfh n TYR 198 N -3.58 0.00 0.00 1.91 4.01 0.39 -5.07 117.16 114.82 3dfh n TYR 198 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 3dfh n TYR 198 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.09 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 0.50 3.39 1.54 2.72 0.00 0.43 -1.20 105.19 112.57 3dfh n GLY 199 Ca 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 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 5.38 4.26 0.24 1.61 3.02 -1.26 -4.60 115.26 123.91 3dfh n ASN 200 Ca 0.00 -3.23 0.07 0.00 -0.03 0.00 0.00 54.58 51.38 3dfh n ASN 200 Cb 0.00 -0.67 0.56 0.00 -0.61 0.00 0.00 39.78 39.07 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 2.24 0.00 -3.72 3.52 4.20 -1.57 -3.44 115.11 116.35 3dfh h GLN 201 Ca 0.17 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.80 3dfh h GLN 201 Cb 1.96 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 29.61 3dfh h GLN 201 CO 0.52 0.13 -0.25 -0.59 -0.67 0.00 0.00 178.83 177.97 3dfh s PHE 202 N -4.71 0.17 -0.02 2.96 -0.71 -1.26 -4.89 117.98 109.53 3dfh s PHE 202 Ca -0.04 -0.55 -0.26 0.00 -1.04 0.00 0.00 56.93 55.04 3dfh s PHE 202 Cb 0.16 0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 41.98 3dfh s PHE 202 CO 0.68 -0.69 0.82 -1.01 -1.34 0.00 0.00 175.22 173.68 3dfh s HIS 203 N -3.90 3.64 -0.29 3.49 3.76 -0.18 -4.97 115.29 116.83 3dfh s HIS 203 Ca 0.11 1.47 -0.12 0.00 -0.15 0.00 0.00 55.06 56.37 3dfh s HIS 203 Cb 0.03 -2.93 -0.04 0.00 1.11 0.00 0.00 32.58 30.74 3dfh s HIS 203 CO -0.05 0.08 0.21 0.42 -0.85 0.00 0.00 174.74 174.55 3dfh s ILE 204 N 0.72 5.30 0.10 0.60 1.01 -1.26 -0.93 121.20 126.73 3dfh s ILE 204 Ca 0.43 0.10 -0.00 0.00 0.00 0.00 0.00 60.65 61.18 3dfh s ILE 204 Cb -0.20 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 3dfh s ILE 204 CO 0.23 0.18 0.26 -0.76 0.00 0.00 0.00 174.94 174.85 3dfh s LEU 205 N 1.77 4.33 -0.14 2.97 1.02 -0.46 -0.53 118.68 127.64 3dfh s LEU 205 Ca 0.07 0.31 -0.13 0.00 0.02 0.00 0.00 54.13 54.41 3dfh s LEU 205 Cb -0.16 -3.02 0.04 0.00 0.02 0.00 0.00 46.19 43.06 3dfh s LEU 205 CO 0.11 0.11 0.36 -2.28 0.02 0.00 0.00 176.35 174.68 3dfh s HIS 206 N -1.60 -0.40 -0.25 0.29 2.46 -1.01 -1.24 115.29 113.54 3dfh s HIS 206 Ca 0.36 0.97 -0.06 0.00 0.47 0.00 0.00 55.06 56.80 3dfh s HIS 206 Cb -0.12 0.14 -0.01 0.00 -0.13 0.00 0.00 32.58 32.45 3dfh s HIS 206 CO 0.28 -0.19 0.03 0.34 -2.47 0.00 0.00 174.74 172.73 3dfh s ASP 207 N 0.17 4.84 0.33 9.88 -1.08 -1.26 -0.85 116.67 128.70 3dfh s ASP 207 Ca -0.00 -0.44 0.25 0.00 -0.52 0.00 0.00 52.55 51.84 3dfh s ASP 207 Cb -0.03 -1.84 0.65 0.00 -1.46 0.00 0.00 42.92 40.24 3dfh s ASP 207 CO 0.01 -0.08 1.71 0.58 0.52 0.00 0.00 175.17 177.91 3dfh h VAL 208 N 5.72 0.00 -4.28 1.11 2.07 -0.77 -3.47 116.25 116.62 3dfh h VAL 208 Ca -0.37 -0.69 -0.38 0.00 0.82 0.00 0.00 66.70 66.08 3dfh h VAL 208 Cb 1.15 1.68 0.01 0.00 -1.52 0.00 0.00 31.29 32.61 3dfh h VAL 208 CO 0.59 0.00 -0.54 1.41 0.02 0.00 0.00 177.57 179.05 3dfh n HIS 209 N -2.67 -1.66 -2.59 1.57 8.25 -1.21 -2.22 115.22 114.69 3dfh n HIS 209 Ca 0.04 0.33 -0.18 0.00 -0.26 0.00 0.00 57.72 57.65 3dfh n HIS 209 Cb 0.46 -3.83 -0.00 0.00 1.12 0.00 0.00 29.99 27.73 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 -3.59 -2.50 0.01 -0.41 1.02 -0.10 -4.85 120.64 110.21 3dfh n GLU 210 Ca -0.13 0.81 0.13 0.00 -0.02 0.00 0.00 57.16 57.95 3dfh n GLU 210 Cb 0.62 -5.48 0.48 0.00 -0.02 0.00 0.00 31.44 27.03 3dfh n GLU 210 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3dfh n ARG 211 N -3.15 0.02 -4.22 3.49 1.74 -0.94 -4.49 116.66 109.10 3dfh n ARG 211 Ca -0.17 0.01 -0.33 0.00 -0.77 0.00 0.00 57.85 56.59 3dfh n ARG 211 Cb 0.64 -1.52 -0.08 0.00 -1.02 0.00 0.00 32.46 30.48 3dfh n ARG 211 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3dfh s LEU 212 N -3.12 3.68 0.84 0.55 1.43 -1.26 -4.93 118.68 115.88 3dfh s LEU 212 Ca 0.13 0.09 -0.12 0.00 -1.03 0.00 0.00 54.13 53.20 3dfh s LEU 212 Cb 0.18 -2.07 0.10 0.00 0.03 0.00 0.00 46.19 44.43 3dfh s LEU 212 CO 0.59 0.30 1.10 -0.36 0.23 0.00 0.00 176.35 178.21 3dfh s PHE 213 N -1.09 2.65 0.19 0.29 0.08 -1.26 -4.03 117.98 114.80 3dfh s PHE 213 Ca 0.19 1.12 -0.12 0.00 0.12 0.00 0.00 56.93 58.24 3dfh s PHE 213 Cb -0.12 -3.18 0.13 0.00 -0.57 0.00 0.00 43.02 39.28 3dfh s PHE 213 CO 0.10 -2.04 1.83 -1.35 -0.10 0.00 0.00 175.22 173.66 3dfh h PRO 214 N -1.28 0.70 -1.01 0.24 0.11 -1.98 -0.46 132.00 128.32 3dfh h PRO 214 Ca -0.48 -0.04 0.09 0.00 0.11 0.00 0.00 66.00 65.67 3dfh h PRO 214 Cb 1.28 -0.16 -0.07 0.00 0.11 0.00 0.00 31.00 32.16 3dfh h PRO 214 CO 0.59 0.46 0.64 -2.95 -0.21 0.00 0.00 178.00 176.53 3dfh h ASN 215 N 0.72 1.00 -0.37 -2.05 -1.07 -2.00 -1.34 115.58 110.47 3dfh h ASN 215 Ca 0.23 0.03 -0.11 0.00 0.07 0.00 0.00 56.30 56.51 3dfh h ASN 215 Cb 0.00 -0.18 -0.01 0.00 -2.07 0.00 0.00 38.32 36.06 3dfh h ASN 215 CO -0.09 0.60 -0.22 1.56 0.07 0.00 0.00 177.43 179.35 3dfh h GLN 216 N 1.11 0.80 -0.93 4.14 4.20 -1.78 -2.06 115.11 120.59 3dfh h GLN 216 Ca 0.46 -0.37 0.04 0.00 0.06 0.00 0.00 58.65 58.84 3dfh h GLN 216 Cb 0.30 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.01 3dfh h GLN 216 CO -0.21 0.99 0.60 0.00 -0.67 0.00 0.00 178.83 179.55 3dfh h ALA 217 N 0.79 1.24 -0.46 3.87 0.00 -0.42 0.23 119.26 124.51 3dfh h ALA 217 Ca 0.08 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3dfh h ALA 217 Cb 0.78 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3dfh h ALA 217 CO 0.06 0.46 0.06 0.82 0.00 0.00 0.00 179.25 180.65 3dfh h ILE 218 N 1.16 1.25 -0.09 0.00 2.04 -1.05 -0.40 117.51 120.42 3dfh h ILE 218 Ca 0.38 -0.94 -0.00 0.00 1.00 0.00 0.00 64.86 65.29 3dfh h ILE 218 Cb 0.03 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3dfh h ILE 218 CO -0.13 0.33 0.06 -0.61 0.00 0.00 0.00 178.15 177.80 3dfh h GLN 219 N 0.64 0.12 -0.55 2.37 4.15 -0.91 -2.21 115.11 118.71 3dfh h GLN 219 Ca 0.14 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.55 3dfh h GLN 219 Cb 0.42 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.05 3dfh h GLN 219 CO 0.01 0.12 0.36 0.35 -1.93 0.00 0.00 178.83 177.75 3dfh h PHE 220 N 0.09 0.70 -0.90 3.99 3.57 -0.44 -1.35 116.94 122.60 3dfh h PHE 220 Ca 0.03 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.62 3dfh h PHE 220 Cb 0.03 -0.24 -0.07 0.00 2.79 0.00 0.00 35.95 38.47 3dfh h PHE 220 CO -0.06 0.45 0.56 0.00 -2.23 0.00 0.00 178.31 177.03 3dfh h ALA 221 N 1.19 1.26 -0.12 2.41 0.00 -0.89 0.08 119.26 123.20 3dfh h ALA 221 Ca 0.20 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 3dfh h ALA 221 Cb -0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3dfh h ALA 221 CO -0.04 0.27 -0.62 0.87 0.00 0.00 0.00 179.25 179.74 3dfh h LYS 222 N 0.98 0.42 0.00 0.00 1.57 -0.91 -3.08 116.57 115.56 3dfh h LYS 222 Ca 0.40 -0.29 -0.18 0.00 -1.87 0.00 0.00 60.65 58.71 3dfh h LYS 222 Cb 0.24 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 3dfh h LYS 222 CO -0.20 0.91 -0.87 0.93 -0.57 0.00 0.00 179.45 179.65 3dfh h GLU 223 N 0.31 0.01 -0.00 3.15 5.08 -0.65 -3.24 114.58 119.24 3dfh h GLU 223 Ca -0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3dfh h GLU 223 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3dfh h GLU 223 CO 0.11 0.88 -0.26 1.55 -1.00 0.00 0.00 179.01 180.28 3dfh n VAL 224 N -3.51 0.00 -0.12 3.13 3.14 -0.04 -4.28 118.33 116.64 3dfh n VAL 224 Ca -0.01 -0.07 -0.08 0.00 -2.96 0.00 0.00 64.34 61.22 3dfh n VAL 224 Cb 0.83 0.19 0.00 0.00 -1.06 0.00 0.00 33.84 33.80 3dfh n VAL 224 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 3dfh h GLU 225 N 0.69 0.50 -0.00 1.45 4.81 -1.56 -1.75 114.58 118.72 3dfh h GLU 225 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3dfh h GLU 225 Cb 0.47 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 3dfh h GLU 225 CO 0.00 0.33 0.04 -0.56 -0.73 0.00 0.00 179.01 178.09 3dfh h GLN 226 N 0.52 0.00 -0.01 1.92 3.07 -1.80 0.77 115.11 119.58 3dfh h GLN 226 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.89 3dfh h GLN 226 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.52 3dfh h GLN 226 CO -0.04 0.00 -0.11 0.66 0.09 0.00 0.00 178.83 179.43 3dfh n TYR 227 N -3.13 0.00 -3.55 0.06 4.01 -0.66 -4.98 117.16 108.91 3dfh n TYR 227 Ca -0.03 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.46 3dfh n TYR 227 Cb 0.11 -0.04 0.05 0.00 -0.31 0.00 0.00 39.34 39.15 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 -0.00 -2.09 -1.97 -0.72 5.02 0.26 -4.94 118.16 113.73 3dfh n LYS 228 Ca 0.16 0.61 -0.37 0.00 -2.02 0.00 0.00 58.31 56.69 3dfh n LYS 228 Cb 0.38 -4.82 0.03 0.00 -0.02 0.00 0.00 35.03 30.60 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 -5.47 3.05 0.14 1.97 0.04 -1.26 -4.75 135.00 128.71 3dfh s PRO 229 Ca 0.40 1.93 -0.18 0.00 0.04 0.00 0.00 61.00 63.18 3dfh s PRO 229 Cb -0.11 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.40 3dfh s PRO 229 CO 0.82 -1.17 1.73 -0.92 0.04 0.00 0.00 177.00 177.50 3dfh h TYR 230 N 1.09 0.09 -2.81 0.56 3.20 -1.16 -3.41 116.97 114.54 3dfh h TYR 230 Ca -0.50 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.40 3dfh h TYR 230 Cb 1.30 -0.00 -0.13 0.00 1.54 0.00 0.00 36.73 39.44 3dfh h TYR 230 CO 0.47 0.02 0.29 -0.59 -1.64 0.00 0.00 178.16 176.71 3dfh s PHE 231 N -6.18 -0.49 -0.22 -3.82 -0.12 -1.26 -4.75 117.98 101.15 3dfh s PHE 231 Ca -0.13 0.30 -0.08 0.00 -0.05 0.00 0.00 56.93 56.97 3dfh s PHE 231 Cb 0.11 0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 43.01 3dfh s PHE 231 CO 0.70 -0.77 0.08 0.42 -0.05 0.00 0.00 175.22 175.60 3dfh s ILE 232 N -3.58 4.63 0.03 -4.49 -1.09 0.19 -2.39 121.20 114.50 3dfh s ILE 232 Ca 0.02 -0.08 -0.00 0.00 -2.23 0.00 0.00 60.65 58.36 3dfh s ILE 232 Cb -0.01 -3.13 -0.04 0.00 -1.58 0.00 0.00 42.46 37.70 3dfh s ILE 232 CO -0.12 0.38 0.16 -0.70 -1.23 0.00 0.00 174.94 173.43 3dfh s GLU 233 N 1.10 3.27 -1.30 2.79 2.12 -0.03 -1.49 118.70 125.16 3dfh s GLU 233 Ca 0.05 -0.46 -0.22 0.00 0.36 0.00 0.00 54.97 54.69 3dfh s GLU 233 Cb -0.14 -2.96 0.02 0.00 0.26 0.00 0.00 34.13 31.31 3dfh s GLU 233 CO 0.03 0.63 0.53 -0.25 -0.54 0.00 0.00 175.26 175.66 3dfh n ASP 234 N 0.65 -2.84 0.18 -1.70 8.00 -0.83 -0.20 116.55 119.82 3dfh n ASP 234 Ca -0.09 -1.23 0.06 0.00 0.71 0.00 0.00 54.79 54.25 3dfh n ASP 234 Cb 0.52 -2.05 0.25 0.00 -0.02 0.00 0.00 41.12 39.82 3dfh n ASP 234 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 3dfh h ILE 235 N -2.27 0.69 -2.25 0.53 2.10 -1.81 -0.23 117.51 114.27 3dfh h ILE 235 Ca -0.69 -1.60 -0.56 0.00 1.08 0.00 0.00 64.86 63.09 3dfh h ILE 235 Cb 1.40 2.06 -0.09 0.00 -1.09 0.00 0.00 36.82 39.09 3dfh h ILE 235 CO 0.56 0.34 -0.64 -0.76 -1.08 0.00 0.00 178.15 176.57 3dfh s LEU 236 N -6.67 3.21 0.83 2.19 1.43 -1.26 -4.61 118.68 113.81 3dfh s LEU 236 Ca 0.02 -0.62 -0.13 0.00 -1.03 0.00 0.00 54.13 52.37 3dfh s LEU 236 Cb 0.09 -1.74 0.05 0.00 0.03 0.00 0.00 46.19 44.62 3dfh s LEU 236 CO 0.69 0.01 0.88 -2.65 0.23 0.00 0.00 176.35 175.50 3dfh n PRO 237 N -0.85 0.03 -2.14 1.29 -0.02 -1.26 -4.45 135.00 127.60 3dfh n PRO 237 Ca -0.07 0.08 -0.27 0.00 -2.02 0.00 0.00 63.50 61.22 3dfh n PRO 237 Cb 0.59 -2.17 0.09 0.00 -0.02 0.00 0.00 33.50 31.98 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 -3.78 1.93 -0.05 0.52 0.04 -1.26 -2.72 135.00 129.70 3dfh s PRO 238 Ca 0.67 -0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.45 3dfh s PRO 238 Cb -0.28 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.16 3dfh s PRO 238 CO 0.57 -1.46 0.00 0.09 0.04 0.00 0.00 177.00 176.24 3dfh n ASN 239 N -3.09 -5.37 -0.96 6.66 3.02 -1.26 -4.82 115.26 109.44 3dfh n ASN 239 Ca 0.09 0.01 0.05 0.00 -0.03 0.00 0.00 54.58 54.70 3dfh n ASN 239 Cb 0.60 -2.91 0.14 0.00 -0.61 0.00 0.00 39.78 37.01 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 0.11 1.13 0.17 3.52 1.13 -1.10 -4.82 117.38 117.51 3dfh n GLN 240 Ca -0.00 -2.91 0.13 0.00 -1.94 0.00 0.00 57.00 52.28 3dfh n GLN 240 Cb 0.40 -1.12 0.47 0.00 0.11 0.00 0.00 30.24 30.11 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 3.02 0.00 -0.06 5.09 1.35 -1.88 -1.93 112.91 118.50 3dfh h THR 241 Ca -0.07 -0.45 0.02 0.00 -0.55 0.00 0.00 66.41 65.35 3dfh h THR 241 Cb 1.31 1.35 -0.00 0.00 -1.73 0.00 0.00 68.15 69.07 3dfh h THR 241 CO 0.05 0.00 0.07 -0.33 -0.25 0.00 0.00 175.52 175.06 3dfh h GLU 242 N 0.00 0.00 0.00 4.72 3.07 -1.96 0.17 114.58 120.58 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 0.58 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 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 -3.74 0.00 0.21 4.33 7.02 -0.73 -3.27 117.44 121.27 3dfh n TRP 243 Ca -0.02 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.52 3dfh n TRP 243 Cb 0.16 -0.31 0.46 0.00 -2.42 0.00 0.00 31.31 29.20 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 0.00 -0.92 -0.99 3.38 -1.14 -2.26 115.31 113.37 3dfh h LEU 244 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3dfh h LEU 244 Cb 0.27 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 3dfh h LEU 244 CO 0.00 0.28 0.40 0.44 0.09 0.00 0.00 178.44 179.65 3dfh h ASP 245 N 0.00 1.06 -0.17 -0.43 3.32 -1.75 1.00 116.42 119.45 3dfh h ASP 245 Ca -0.00 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.93 3dfh h ASP 245 Cb 0.54 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3dfh h ASP 245 CO 0.04 0.89 0.10 0.78 -1.72 0.00 0.00 179.24 179.33 3dfh h ASN 246 N 1.17 0.20 -0.57 6.45 4.21 -1.62 -2.28 115.58 123.13 3dfh h ASN 246 Ca 0.28 -0.03 -0.02 0.00 1.21 0.00 0.00 56.30 57.74 3dfh h ASN 246 Cb 0.10 -0.05 -0.03 0.00 -1.12 0.00 0.00 38.32 37.22 3dfh h ASN 246 CO -0.04 0.17 0.27 0.40 -1.29 0.00 0.00 177.43 176.95 3dfh h ILE 247 N 0.21 1.21 0.00 2.81 2.04 -1.17 -3.05 117.51 119.55 3dfh h ILE 247 Ca 0.06 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.33 3dfh h ILE 247 Cb 0.01 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 3dfh h ILE 247 CO -0.01 0.24 0.00 0.54 0.00 0.00 0.00 178.15 178.91 3dfh n ARG 248 N -4.54 0.08 0.00 2.37 5.12 0.27 -1.12 116.66 118.83 3dfh n ARG 248 Ca 0.03 0.13 0.13 0.00 -1.93 0.00 0.00 57.85 56.21 3dfh n ARG 248 Cb 0.12 -1.60 0.35 0.00 -1.16 0.00 0.00 32.46 30.17 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 -1.74 0.41 0.00 0.55 3.41 -0.88 -4.35 113.62 111.02 3dfh n SER 249 Ca 0.06 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 3dfh n SER 249 Cb 0.32 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 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 -1.45 1.29 -4.03 4.33 6.02 -0.81 -5.07 117.38 117.66 3dfh n GLN 250 Ca 0.06 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.92 3dfh n GLN 250 Cb 0.33 -0.90 -0.13 0.00 1.02 0.00 0.00 30.24 30.56 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 -1.64 0.42 -0.01 1.08 0.15 -0.28 -4.96 113.70 108.47 3dfh s SER 251 Ca 0.00 -0.20 0.19 0.00 0.70 0.00 0.00 55.95 56.63 3dfh s SER 251 Cb 0.00 -0.01 0.55 0.00 -1.71 0.00 0.00 66.02 64.85 3dfh s SER 251 CO 0.00 -0.05 1.46 -1.54 1.20 0.00 0.00 173.24 174.30 3dfh n SER 252 N 2.54 3.35 -4.70 5.45 3.41 -1.26 -4.46 113.62 117.94 3dfh n SER 252 Ca -0.16 -2.02 -0.43 0.00 -0.26 0.00 0.00 58.87 56.00 3dfh n SER 252 Cb 0.58 -0.42 -0.02 0.00 -0.26 0.00 0.00 64.21 64.09 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 1.29 1.21 -2.60 -3.33 3.14 -1.26 -4.95 118.33 111.83 3dfh n VAL 253 Ca 0.21 -0.30 -0.41 0.00 -2.96 0.00 0.00 64.34 60.88 3dfh n VAL 253 Cb 0.54 -1.64 -0.05 0.00 -1.06 0.00 0.00 33.84 31.63 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 0.21 7.41 -0.00 6.55 0.01 -1.26 -4.99 113.70 121.63 3dfh s SER 254 Ca 0.64 2.06 0.06 0.00 1.31 0.00 0.00 55.95 60.02 3dfh s SER 254 Cb -0.59 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.02 3dfh s SER 254 CO 0.52 -0.07 -0.19 -0.76 0.41 0.00 0.00 173.24 173.16 3dfh s LEU 255 N -0.86 2.06 -0.09 2.44 1.43 -1.26 -0.63 118.68 121.77 3dfh s LEU 255 Ca 0.45 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 53.20 3dfh s LEU 255 Cb -0.28 -0.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.97 3dfh s LEU 255 CO 0.35 0.21 -0.16 -0.83 0.23 0.00 0.00 176.35 176.15 3dfh s GLY 256 N -0.58 1.48 0.05 -3.19 0.00 -0.56 -0.53 107.32 103.99 3dfh s GLY 256 Ca 0.07 -0.95 -0.05 0.00 0.00 0.00 0.00 44.72 43.79 3dfh s GLY 256 CO -0.00 -0.46 0.09 1.08 0.00 0.00 0.00 173.10 173.81 3dfh s LEU 257 N -0.09 1.85 0.00 0.66 1.43 -1.04 -1.97 118.68 119.52 3dfh s LEU 257 Ca -0.03 -0.65 0.00 0.00 -1.03 0.00 0.00 54.13 52.42 3dfh s LEU 257 Cb -0.14 0.62 0.00 0.00 0.03 0.00 0.00 46.19 46.70 3dfh s LEU 257 CO 0.04 -0.57 0.00 0.61 0.23 0.00 0.00 176.35 176.66 3dfh n GLY 258 N 0.46 0.81 0.33 -3.19 0.00 -1.26 -1.12 105.19 101.23 3dfh n GLY 258 Ca -0.17 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.99 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 0.54 -0.04 1.61 4.81 -1.89 0.22 114.58 119.84 3dfh h GLU 259 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3dfh h GLU 259 Cb 0.00 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.26 3dfh h GLU 259 CO 0.00 0.36 0.00 1.28 -0.73 0.00 0.00 179.01 179.92 3dfh n LEU 260 N -4.91 2.24 -4.76 1.64 4.77 -1.26 -4.15 117.00 110.57 3dfh n LEU 260 Ca 0.24 -0.76 -0.41 0.00 -0.03 0.00 0.00 56.01 55.05 3dfh n LEU 260 Cb 0.66 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.71 3dfh n LEU 260 CO 0.17 0.38 1.03 -0.36 -1.33 0.00 0.00 177.39 177.28 3dfh s PHE 261 N -1.98 3.06 0.00 -1.77 0.08 0.77 -4.90 117.98 113.23 3dfh s PHE 261 Ca 0.33 1.23 0.00 0.00 0.12 0.00 0.00 56.93 58.62 3dfh s PHE 261 Cb 0.20 -3.73 0.00 0.00 -0.57 0.00 0.00 43.02 38.93 3dfh s PHE 261 CO 0.32 -2.19 0.48 0.27 -0.10 0.00 0.00 175.22 173.99 3dfh n ASN 262 N 1.64 0.56 -3.93 1.36 0.23 -1.26 -4.33 115.26 109.54 3dfh n ASN 262 Ca 0.03 -1.21 -0.21 0.00 -0.53 0.00 0.00 54.58 52.66 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 -0.21 1.09 0.51 0.53 3.84 -1.26 -4.41 114.94 115.04 3dfh s ASN 263 Ca 0.00 -0.16 0.19 0.00 0.21 0.00 0.00 52.86 53.10 3dfh s ASN 263 Cb 0.00 -0.51 1.28 0.00 -0.55 0.00 0.00 41.25 41.47 3dfh s ASN 263 CO 0.00 -0.03 2.07 -0.65 -2.79 0.00 0.00 177.10 175.70 3dfh h PRO 264 N 7.06 0.06 0.00 0.43 0.11 -1.98 0.74 132.00 138.42 3dfh h PRO 264 Ca -0.37 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3dfh h PRO 264 Cb 1.16 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3dfh h PRO 264 CO 0.48 0.04 0.00 0.93 -0.21 0.00 0.00 178.00 179.24 3dfh h GLU 265 N 0.06 0.00 0.00 1.05 4.39 -2.01 -1.06 114.58 117.01 3dfh h GLU 265 Ca 0.14 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.73 3dfh h GLU 265 Cb 0.47 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 3dfh h GLU 265 CO -0.01 0.00 -0.50 0.93 -1.16 0.00 0.00 179.01 178.27 3dfh h GLU 266 N 0.00 0.00 0.00 2.33 5.08 0.09 -3.38 114.58 118.70 3dfh h GLU 266 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3dfh h GLU 266 Cb 0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 3dfh h GLU 266 CO 0.00 0.50 -1.33 -2.67 -1.00 0.00 0.00 179.01 174.51 3dfh n TRP 267 N -3.27 0.00 0.32 4.33 2.14 -0.53 -4.67 117.44 115.76 3dfh n TRP 267 Ca 0.02 0.00 -0.17 0.00 2.07 0.00 0.00 57.50 59.42 3dfh n TRP 267 Cb 0.71 -0.18 -0.09 0.00 -0.81 0.00 0.00 31.31 30.94 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 -0.76 0.00 -2.67 1.57 -1.42 -2.12 116.57 111.17 3dfh h LYS 268 Ca -0.03 0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 3dfh h LYS 268 Cb 0.51 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 3dfh h LYS 268 CO 0.00 -0.51 -0.57 0.66 -0.57 0.00 0.00 179.45 178.46 3dfh h SER 269 N -0.79 0.00 -0.25 0.86 4.64 -1.85 -1.48 113.55 114.68 3dfh h SER 269 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3dfh h SER 269 Cb 0.61 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 3dfh h SER 269 CO 0.12 0.57 0.16 0.25 -0.87 0.00 0.00 176.83 177.06 3dfh h LEU 270 N 0.00 0.29 0.13 5.97 5.85 -1.80 -1.41 115.31 124.34 3dfh h LEU 270 Ca -0.01 -0.02 -0.26 0.00 0.84 0.00 0.00 57.88 58.44 3dfh h LEU 270 Cb 1.13 -0.07 0.03 0.00 0.37 0.00 0.00 40.66 42.11 3dfh h LEU 270 CO 0.07 0.22 -1.09 0.40 -0.34 0.00 0.00 178.44 177.71 3dfh h ILE 271 N 0.33 1.36 0.00 4.05 2.04 -1.34 0.46 117.51 124.41 3dfh h ILE 271 Ca 0.09 -2.45 -0.03 0.00 1.00 0.00 0.00 64.86 63.47 3dfh h ILE 271 Cb -0.03 2.85 -0.00 0.00 -0.74 0.00 0.00 36.82 38.90 3dfh h ILE 271 CO -0.02 0.73 -0.14 0.00 0.00 0.00 0.00 178.15 178.72 3dfh h ALA 272 N 0.22 1.74 -0.65 1.87 0.00 -1.23 -1.48 119.26 119.72 3dfh h ALA 272 Ca -0.17 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3dfh h ALA 272 Cb 1.80 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.57 3dfh h ALA 272 CO 0.21 0.17 0.00 0.09 0.00 0.00 0.00 179.25 179.72 3dfh n ASN 273 N -4.33 4.21 -2.66 0.00 3.02 -0.53 -4.96 115.26 110.01 3dfh n ASN 273 Ca -0.03 -2.21 -0.18 0.00 -0.03 0.00 0.00 54.58 52.13 3dfh n ASN 273 Cb 0.21 -0.51 0.05 0.00 -0.61 0.00 0.00 39.78 38.92 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 1.28 -5.03 0.00 3.52 1.74 -0.56 -4.87 116.66 112.74 3dfh n ARG 274 Ca 0.24 0.68 0.12 0.00 -0.77 0.00 0.00 57.85 58.12 3dfh n ARG 274 Cb 0.73 -5.15 0.26 0.00 -1.02 0.00 0.00 32.46 27.27 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 -3.66 0.66 -4.24 5.56 1.74 0.11 -4.89 116.66 111.94 3dfh n ARG 275 Ca -0.04 -0.43 -0.13 0.00 -0.77 0.00 0.00 57.85 56.47 3dfh n ARG 275 Cb 0.57 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.42 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 -2.64 0.29 -0.01 0.55 -4.36 -1.26 -4.95 121.20 108.84 3dfh s ILE 276 Ca 0.20 -1.98 0.05 0.00 -0.26 0.00 0.00 60.65 58.65 3dfh s ILE 276 Cb 0.18 -2.43 -0.07 0.00 1.25 0.00 0.00 42.46 41.40 3dfh s ILE 276 CO 0.59 -0.14 0.09 0.47 0.24 0.00 0.00 174.94 176.20 3dfh n ASP 277 N -0.30 3.95 -3.80 4.36 9.92 0.30 -4.84 116.55 126.14 3dfh n ASP 277 Ca -0.01 0.00 -0.17 0.00 -0.53 0.00 0.00 54.79 54.09 3dfh n ASP 277 Cb 0.65 1.16 -0.16 0.00 -0.64 0.00 0.00 41.12 42.14 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 -2.30 0.22 0.11 1.24 0.40 -0.56 -1.24 117.98 115.84 3dfh s PHE 278 Ca -0.02 0.05 -0.21 0.00 -0.60 0.00 0.00 56.93 56.15 3dfh s PHE 278 Cb 0.03 -0.36 -0.07 0.00 0.51 0.00 0.00 43.02 43.13 3dfh s PHE 278 CO 0.19 -0.12 0.63 -1.50 0.70 0.00 0.00 175.22 175.12 3dfh s ILE 279 N 1.08 4.63 -0.08 0.64 1.10 -0.07 -2.50 121.20 126.01 3dfh s ILE 279 Ca -0.09 1.33 0.13 0.00 -0.51 0.00 0.00 60.65 61.51 3dfh s ILE 279 Cb -0.13 -3.95 0.24 0.00 0.15 0.00 0.00 42.46 38.76 3dfh s ILE 279 CO -0.02 0.51 1.12 0.54 -2.11 0.00 0.00 174.94 174.98 3dfh n ARG 280 N 1.58 0.74 -1.72 3.50 5.12 -0.27 -0.85 116.66 124.75 3dfh n ARG 280 Ca -0.08 -2.11 -0.38 0.00 -1.93 0.00 0.00 57.85 53.34 3dfh n ARG 280 Cb 0.50 -0.98 0.05 0.00 -1.16 0.00 0.00 32.46 30.86 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 -1.32 3.01 0.26 0.00 3.76 -1.26 -1.54 115.29 118.20 3dfh s HIS 282 Ca 0.73 1.13 -0.04 0.00 -0.15 0.00 0.00 55.06 56.73 3dfh s HIS 282 Cb -0.42 -3.45 0.53 0.00 1.11 0.00 0.00 32.58 30.35 3dfh s HIS 282 CO 0.48 -1.44 1.65 0.28 -0.85 0.00 0.00 174.74 174.87 3dfh h VAL 283 N 5.33 0.38 -0.58 -0.90 2.07 -1.92 0.12 116.25 120.76 3dfh h VAL 283 Ca -0.28 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 3dfh h VAL 283 Cb 1.12 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 3dfh h VAL 283 CO 0.94 0.03 0.30 0.28 0.02 0.00 0.00 177.57 179.15 3dfh h SER 284 N 0.18 0.71 0.90 0.57 0.02 -1.89 -1.60 113.55 112.44 3dfh h SER 284 Ca 0.46 -0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 61.29 3dfh h SER 284 Cb 0.84 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 3dfh h SER 284 CO -0.62 0.58 -0.31 1.56 -1.14 0.00 0.00 176.83 176.90 3dfh h GLN 285 N 0.80 0.00 -0.03 3.45 1.08 -1.05 -3.13 115.11 116.23 3dfh h GLN 285 Ca 0.20 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 3dfh h GLN 285 Cb 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 3dfh h GLN 285 CO -0.03 0.31 -0.02 0.44 -0.95 0.00 0.00 178.83 178.58 3dfh n ILE 286 N -3.47 0.00 0.00 2.54 -5.35 -1.09 -4.36 119.36 107.63 3dfh n ILE 286 Ca 0.00 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 62.02 3dfh n ILE 286 Cb 0.48 1.37 0.00 0.00 -1.74 0.00 0.00 39.64 39.75 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 1.33 0.88 0.00 3.28 0.00 -1.07 -4.79 105.19 104.82 3dfh n GLY 287 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.53 0.25 0.22 -0.02 0.00 -0.62 -3.73 105.19 100.76 3dfh n GLY 288 Ca 0.00 -2.13 -0.12 0.00 0.00 0.00 0.00 46.02 43.78 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 1.28 0.16 -0.61 2.04 -1.86 -2.32 117.51 116.20 3dfh h ILE 289 Ca 0.00 -1.23 0.02 0.00 1.00 0.00 0.00 64.86 64.65 3dfh h ILE 289 Cb 0.00 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 3dfh h ILE 289 CO 0.00 0.40 -0.35 0.74 0.00 0.00 0.00 178.15 178.95 3dfh h THR 290 N 0.51 0.27 0.00 -0.27 2.02 -1.92 -1.35 112.91 112.18 3dfh h THR 290 Ca 0.09 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.19 3dfh h THR 290 Cb 0.66 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 3dfh h THR 290 CO 0.04 0.00 -0.36 1.55 0.37 0.00 0.00 175.52 177.12 3dfh h PRO 291 N -0.60 0.00 -0.63 6.66 0.13 -1.83 -3.27 132.00 132.46 3dfh h PRO 291 Ca 0.02 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.13 3dfh h PRO 291 Cb 0.61 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.71 3dfh h PRO 291 CO -0.18 0.36 0.32 0.00 -0.23 0.00 0.00 178.00 178.28 3dfh h ALA 292 N 1.64 0.81 -0.49 -0.56 0.00 -0.74 -1.68 119.26 118.23 3dfh h ALA 292 Ca -0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3dfh h ALA 292 Cb 0.79 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3dfh h ALA 292 CO 0.05 0.36 0.26 -0.07 0.00 0.00 0.00 179.25 179.84 3dfh h LEU 293 N 0.87 0.63 -0.64 0.00 3.38 -1.33 0.26 115.31 118.48 3dfh h LEU 293 Ca 0.22 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3dfh h LEU 293 Cb 0.08 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3dfh h LEU 293 CO -0.03 0.56 0.38 0.11 0.09 0.00 0.00 178.44 179.55 3dfh h LYS 294 N 0.66 0.87 -0.06 1.13 1.57 -1.55 -1.56 116.57 117.62 3dfh h LYS 294 Ca 0.17 -0.08 -0.15 0.00 -1.87 0.00 0.00 60.65 58.72 3dfh h LYS 294 Cb 0.08 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3dfh h LYS 294 CO -0.03 0.62 -0.63 1.25 -0.57 0.00 0.00 179.45 180.10 3dfh h LEU 295 N 0.86 0.24 -0.75 2.94 5.85 -1.07 -0.11 115.31 123.27 3dfh h LEU 295 Ca 0.23 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 3dfh h LEU 295 Cb -0.02 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 3dfh h LEU 295 CO -0.04 0.81 0.24 1.23 -0.34 0.00 0.00 178.44 180.33 3dfh h GLY 296 N 1.54 1.26 1.38 3.75 0.00 -0.15 0.11 103.07 110.95 3dfh h GLY 296 Ca -0.01 -0.74 -0.14 0.00 0.00 0.00 0.00 47.33 46.44 3dfh h GLY 296 CO 0.10 0.69 -0.41 0.45 0.00 0.00 0.00 176.54 177.37 3dfh h HIS 297 N 1.12 0.81 -0.62 5.60 3.86 -0.79 -2.22 115.15 122.91 3dfh h HIS 297 Ca 0.24 -0.24 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 3dfh h HIS 297 Cb 0.30 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.58 3dfh h HIS 297 CO 0.03 0.97 0.31 1.25 0.86 0.00 0.00 177.93 181.35 3dfh h LEU 298 N 0.55 0.80 -0.40 2.43 5.85 -0.56 -2.22 115.31 121.77 3dfh h LEU 298 Ca 0.04 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.67 3dfh h LEU 298 Cb 0.94 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 3dfh h LEU 298 CO 0.09 0.69 0.21 0.00 -0.34 0.00 0.00 178.44 179.09 3dfh h GLN 300 N 0.43 0.19 -0.90 0.00 4.15 -1.14 0.93 115.11 118.77 3dfh h GLN 300 Ca 0.16 -0.01 0.16 0.00 0.77 0.00 0.00 58.65 59.73 3dfh h GLN 300 Cb 0.05 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 27.62 3dfh h GLN 300 CO -0.10 0.13 0.58 -0.97 -1.93 0.00 0.00 178.83 176.54 3dfh h ASN 301 N 0.20 0.63 -0.03 -0.69 -0.73 -1.30 -3.12 115.58 110.53 3dfh h ASN 301 Ca 0.15 0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.36 3dfh h ASN 301 Cb 0.14 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 38.66 3dfh h ASN 301 CO -0.18 0.30 -0.04 0.49 -0.37 0.00 0.00 177.43 177.63 3dfh n PHE 302 N -4.57 0.00 -1.06 0.67 3.72 -0.85 -4.96 117.46 110.41 3dfh n PHE 302 Ca 0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 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 1.31 0.65 3.70 1.37 0.00 0.13 -4.88 105.19 107.47 3dfh n GLY 303 Ca 0.13 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 45.05 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 4.48 0.43 1.61 1.01 -0.10 -4.97 120.40 120.86 3dfh s VAL 304 Ca 0.00 -0.18 0.05 0.00 0.00 0.00 0.00 61.98 61.85 3dfh s VAL 304 Cb 0.00 -2.90 0.01 0.00 0.00 0.00 0.00 36.38 33.49 3dfh s VAL 304 CO 0.00 0.60 0.60 -0.13 0.00 0.00 0.00 175.10 176.17 3dfh s ARG 305 N -0.83 2.88 -0.09 2.72 0.52 -0.37 -4.11 118.95 119.67 3dfh s ARG 305 Ca 0.13 -0.96 0.03 0.00 -0.52 0.00 0.00 55.73 54.40 3dfh s ARG 305 Cb -0.12 -2.69 -0.01 0.00 0.52 0.00 0.00 34.95 32.66 3dfh s ARG 305 CO 0.02 -0.28 -0.19 0.42 0.02 0.00 0.00 175.30 175.30 3dfh s ILE 306 N -2.42 2.60 -0.43 1.52 1.01 -0.52 -0.89 121.20 122.06 3dfh s ILE 306 Ca 0.52 -0.85 0.07 0.00 0.00 0.00 0.00 60.65 60.39 3dfh s ILE 306 Cb -0.10 -2.03 0.23 0.00 0.01 0.00 0.00 42.46 40.58 3dfh s ILE 306 CO 0.34 0.55 0.61 0.00 0.00 0.00 0.00 174.94 176.45 3dfh n ALA 307 N 3.17 1.13 -1.64 9.38 0.00 -0.03 -0.61 120.51 131.91 3dfh n ALA 307 Ca -0.18 -2.64 -0.41 0.00 0.00 0.00 0.00 53.44 50.21 3dfh n ALA 307 Cb 0.52 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 19.00 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 1.78 1.43 -2.41 0.00 7.02 -1.26 -4.32 117.44 119.68 3dfh n TRP 308 Ca 0.19 0.52 -0.37 0.00 -1.02 0.00 0.00 57.50 56.81 3dfh n TRP 308 Cb 0.55 -2.26 -0.03 0.00 -2.42 0.00 0.00 31.31 27.15 3dfh n TRP 308 CO 0.00 0.00 0.00 -1.01 -2.02 0.00 0.00 177.69 174.66 3dfh s HIS 309 N -1.29 3.13 -0.47 -5.99 3.76 -0.59 -4.40 115.29 109.44 3dfh s HIS 309 Ca 0.65 1.60 0.03 0.00 -0.15 0.00 0.00 55.06 57.18 3dfh s HIS 309 Cb -0.51 -3.26 0.15 0.00 1.11 0.00 0.00 32.58 30.06 3dfh s HIS 309 CO 0.55 -1.02 0.31 0.00 -0.85 0.00 0.00 174.74 173.73 3dfh s PRO 311 N 0.03 2.47 0.00 0.00 0.04 -1.26 -4.69 135.00 131.59 3dfh s PRO 311 Ca 0.23 1.10 0.07 0.00 0.04 0.00 0.00 61.00 62.44 3dfh s PRO 311 Cb -0.14 -1.93 0.32 0.00 0.04 0.00 0.00 34.50 32.79 3dfh s PRO 311 CO -0.07 -1.47 1.21 -2.30 0.04 0.00 0.00 177.00 174.41 3dfh n PRO 312 N -3.39 0.02 -0.13 0.56 -0.02 -1.26 -0.93 135.00 129.84 3dfh n PRO 312 Ca 0.09 0.35 0.12 0.00 -2.02 0.00 0.00 63.50 62.04 3dfh n PRO 312 Cb 0.53 -1.50 0.21 0.00 -0.02 0.00 0.00 33.50 32.72 3dfh n PRO 312 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3dfh n ASP 313 N -1.47 3.14 -4.77 2.55 3.85 -1.26 -4.90 116.55 113.69 3dfh n ASP 313 Ca 0.02 -1.96 -0.40 0.00 -0.71 0.00 0.00 54.79 51.74 3dfh n ASP 313 Cb 0.08 -0.17 0.00 0.00 -1.35 0.00 0.00 41.12 39.69 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 -1.67 3.89 0.72 0.11 1.75 -0.11 -4.57 119.30 119.43 3dfh s MET 314 Ca 0.35 2.30 -0.08 0.00 -1.25 0.00 0.00 55.69 57.01 3dfh s MET 314 Cb 0.22 -2.75 0.06 0.00 2.84 0.00 0.00 34.83 35.19 3dfh s MET 314 CO 0.31 -0.61 1.05 0.95 -0.65 0.00 0.00 175.02 176.08 3dfh s THR 315 N -1.22 2.35 0.03 10.11 -4.23 -1.26 -4.88 115.64 116.53 3dfh s THR 315 Ca 0.58 -0.15 0.31 0.00 -1.18 0.00 0.00 61.69 61.25 3dfh s THR 315 Cb -0.41 -3.05 0.32 0.00 1.34 0.00 0.00 72.50 70.70 3dfh s THR 315 CO 0.53 -0.06 1.93 -0.65 -0.54 0.00 0.00 174.62 175.84 3dfh h PRO 316 N -0.69 0.00 -0.08 3.99 0.11 -1.95 -0.28 132.00 133.09 3dfh h PRO 316 Ca -0.45 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 3dfh h PRO 316 Cb 1.31 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 3dfh h PRO 316 CO 0.62 0.00 -0.11 0.82 -0.21 0.00 0.00 178.00 179.12 3dfh h ILE 317 N 0.00 1.38 -0.49 4.15 2.04 -1.91 -0.12 117.51 122.56 3dfh h ILE 317 Ca 0.00 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.54 3dfh h ILE 317 Cb 0.20 2.06 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 3dfh h ILE 317 CO 0.00 0.37 0.31 1.23 0.00 0.00 0.00 178.15 180.06 3dfh h GLY 318 N -0.22 0.70 1.32 5.37 0.00 -1.74 -2.08 103.07 106.42 3dfh h GLY 318 Ca 0.01 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 3dfh h GLY 318 CO 0.03 0.27 0.06 0.00 0.00 0.00 0.00 176.54 176.89 3dfh h ALA 319 N 1.16 1.13 -0.64 3.60 0.00 -1.05 -0.75 119.26 122.72 3dfh h ALA 319 Ca 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3dfh h ALA 319 Cb -0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3dfh h ALA 319 CO -0.04 0.57 0.38 0.00 0.00 0.00 0.00 179.25 180.16 3dfh h ALA 320 N 1.27 0.81 -0.43 0.00 0.00 -0.76 -0.42 119.26 119.74 3dfh h ALA 320 Ca 0.16 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3dfh h ALA 320 Cb 0.39 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3dfh h ALA 320 CO 0.01 0.30 0.24 0.28 0.00 0.00 0.00 179.25 180.08 3dfh h VAL 321 N 0.86 1.01 -0.96 0.00 2.07 -1.12 -0.60 116.25 117.52 3dfh h VAL 321 Ca 0.23 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.61 3dfh h VAL 321 Cb -0.01 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.20 3dfh h VAL 321 CO -0.04 0.09 0.63 0.78 0.02 0.00 0.00 177.57 179.05 3dfh h ASN 322 N 0.48 1.06 -0.56 0.57 4.21 -0.73 -0.75 115.58 119.86 3dfh h ASN 322 Ca 0.18 -0.02 -0.09 0.00 1.21 0.00 0.00 56.30 57.58 3dfh h ASN 322 Cb 0.05 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 36.97 3dfh h ASN 322 CO -0.10 0.75 -0.00 0.74 -1.29 0.00 0.00 177.43 177.52 3dfh h THR 323 N 1.24 1.26 -0.13 2.81 2.02 -0.53 0.23 112.91 119.82 3dfh h THR 323 Ca 0.37 -1.13 0.01 0.00 0.77 0.00 0.00 66.41 66.43 3dfh h THR 323 Cb -0.06 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 3dfh h THR 323 CO -0.10 0.41 0.05 0.45 0.37 0.00 0.00 175.52 176.70 3dfh h HIS 324 N 0.93 0.10 -0.69 3.16 3.86 -0.64 -0.01 115.15 121.86 3dfh h HIS 324 Ca 0.17 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.41 3dfh h HIS 324 Cb 0.54 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.95 3dfh h HIS 324 CO 0.04 0.05 0.45 -0.07 0.86 0.00 0.00 177.93 179.26 3dfh h LEU 325 N 0.12 0.73 -0.23 2.43 3.38 -0.78 -2.40 115.31 118.57 3dfh h LEU 325 Ca 0.05 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 3dfh h LEU 325 Cb 0.02 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3dfh h LEU 325 CO -0.05 0.51 -0.65 0.78 0.09 0.00 0.00 178.44 179.13 3dfh h ASN 326 N 0.85 0.00 1.58 -0.43 -0.26 0.15 -0.00 115.58 117.48 3dfh h ASN 326 Ca 0.27 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 56.00 3dfh h ASN 326 Cb 0.02 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.28 3dfh h ASN 326 CO -0.07 0.65 -0.42 -0.37 -1.06 0.00 0.00 177.43 176.16 3dfh h VAL 327 N 0.00 0.02 0.00 2.81 -1.51 -0.90 -3.39 116.25 113.28 3dfh h VAL 327 Ca -0.01 -1.02 -0.11 0.00 -1.23 0.00 0.00 66.70 64.33 3dfh h VAL 327 Cb 1.40 1.81 -0.02 0.00 -2.13 0.00 0.00 31.29 32.35 3dfh h VAL 327 CO 0.08 0.01 -0.66 -0.74 -1.23 0.00 0.00 177.57 175.03 3dfh h HIS 328 N 0.00 0.00 -3.00 5.19 -0.00 -1.20 0.47 115.15 116.61 3dfh h HIS 328 Ca -0.00 0.00 -0.54 0.00 -0.00 0.00 0.00 60.37 59.83 3dfh h HIS 328 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.42 3dfh h HIS 328 CO 0.00 0.94 0.74 -0.51 -0.00 0.00 0.00 177.93 179.10 3dfh s LEU 329 N -8.10 4.33 0.27 0.26 1.43 -0.03 -3.85 118.68 113.00 3dfh s LEU 329 Ca -0.21 2.11 -0.03 0.00 -1.03 0.00 0.00 54.13 54.97 3dfh s LEU 329 Cb 0.02 -3.57 0.59 0.00 0.03 0.00 0.00 46.19 43.26 3dfh s LEU 329 CO 0.49 -0.64 1.61 -0.74 0.23 0.00 0.00 176.35 177.30 3dfh h HIS 330 N 7.38 -0.01 -0.57 0.29 -0.00 -1.91 -2.15 115.15 118.17 3dfh h HIS 330 Ca -0.39 0.06 0.00 0.00 -0.00 0.00 0.00 60.37 60.04 3dfh h HIS 330 Cb 1.19 0.14 0.00 0.00 -0.00 0.00 0.00 27.41 28.74 3dfh h HIS 330 CO 0.71 -0.31 0.00 0.09 -0.00 0.00 0.00 177.93 178.42 3dfh n ASN 331 N -5.39 3.34 -4.75 3.26 5.03 -1.26 -4.93 115.26 110.56 3dfh n ASN 331 Ca 0.18 -2.10 -0.41 0.00 0.87 0.00 0.00 54.58 53.12 3dfh n ASN 331 Cb 0.60 -0.42 -0.02 0.00 -1.02 0.00 0.00 39.78 38.92 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 -1.37 3.63 -0.13 5.41 0.00 -0.81 -1.44 121.76 127.04 3dfh s ALA 332 Ca 0.40 1.40 -0.02 0.00 0.00 0.00 0.00 51.96 53.73 3dfh s ALA 332 Cb 0.22 -3.57 -0.07 0.00 0.00 0.00 0.00 23.12 19.69 3dfh s ALA 332 CO 0.25 -0.82 -0.14 0.00 0.00 0.00 0.00 175.76 175.05 3dfh n ALA 333 N 1.89 1.89 -3.55 0.00 0.00 0.22 -4.81 120.51 116.14 3dfh n ALA 333 Ca 0.06 -0.55 -0.12 0.00 0.00 0.00 0.00 53.44 52.82 3dfh n ALA 333 Cb 0.40 0.25 -0.05 0.00 0.00 0.00 0.00 19.45 20.05 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 -2.26 0.00 0.05 0.00 2.07 -1.24 -4.47 121.20 115.36 3dfh s ILE 334 Ca -0.18 0.00 0.08 0.00 -1.41 0.00 0.00 60.65 59.13 3dfh s ILE 334 Cb 0.06 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.62 3dfh s ILE 334 CO 0.28 0.00 -0.19 -1.58 -1.91 0.00 0.00 174.94 171.54 3dfh s GLN 335 N -1.46 2.00 -0.08 3.50 0.74 0.55 -4.34 119.66 120.57 3dfh s GLN 335 Ca -0.03 -1.02 -0.23 0.00 0.05 0.00 0.00 55.36 54.12 3dfh s GLN 335 Cb -0.00 -2.16 -0.03 0.00 1.10 0.00 0.00 33.01 31.91 3dfh s GLN 335 CO 0.02 0.53 0.70 -2.00 -0.55 0.00 0.00 175.29 173.99 3dfh s GLU 336 N -1.52 4.41 0.25 1.67 2.12 -1.26 -1.45 118.70 122.93 3dfh s GLU 336 Ca 0.15 0.86 -0.30 0.00 0.36 0.00 0.00 54.97 56.04 3dfh s GLU 336 Cb -0.10 -3.46 -0.10 0.00 0.26 0.00 0.00 34.13 30.72 3dfh s GLU 336 CO 0.06 0.03 1.45 -1.58 -0.54 0.00 0.00 175.26 174.67 3dfh s HIS 337 N 0.94 3.01 -0.35 5.30 5.65 -0.30 -4.64 115.29 124.90 3dfh s HIS 337 Ca 0.37 1.01 0.01 0.00 0.25 0.00 0.00 55.06 56.69 3dfh s HIS 337 Cb -0.17 -3.83 0.11 0.00 -1.18 0.00 0.00 32.58 27.50 3dfh s HIS 337 CO 0.17 -2.71 0.13 0.08 -0.65 0.00 0.00 174.74 171.76 3dfh s VAL 338 N 0.01 1.21 0.25 0.89 1.01 -1.26 -4.93 120.40 117.58 3dfh s VAL 338 Ca 0.60 -1.85 -0.31 0.00 0.00 0.00 0.00 61.98 60.41 3dfh s VAL 338 Cb -0.42 -1.89 -0.12 0.00 0.00 0.00 0.00 36.38 33.95 3dfh s VAL 338 CO 0.43 -0.73 1.60 -0.62 0.00 0.00 0.00 175.10 175.78 3dfh n GLU 339 N 4.40 2.55 -4.39 2.72 -0.58 -1.26 -5.00 120.64 119.07 3dfh n GLU 339 Ca 0.02 0.91 -0.34 0.00 -0.42 0.00 0.00 57.16 57.33 3dfh n GLU 339 Cb 0.40 -2.69 -0.14 0.00 -0.57 0.00 0.00 31.44 28.43 3dfh n GLU 339 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 3dfh s TYR 340 N 0.39 2.86 0.38 -0.32 1.51 -1.26 -5.11 117.35 115.80 3dfh s TYR 340 Ca 0.69 -0.87 -0.07 0.00 -1.01 0.00 0.00 57.07 55.81 3dfh s TYR 340 Cb -0.54 -1.95 -0.06 0.00 -0.11 0.00 0.00 41.96 39.30 3dfh s TYR 340 CO 0.43 -0.40 -0.29 0.09 -1.11 0.00 0.00 175.55 174.27 3dfh n ASN 341 N 4.10 -2.37 0.00 2.29 3.02 -1.26 -4.77 115.26 116.28 3dfh n ASN 341 Ca -0.18 0.11 -0.08 0.00 -0.03 0.00 0.00 54.58 54.40 3dfh n ASN 341 Cb 0.52 -0.33 0.08 0.00 -0.61 0.00 0.00 39.78 39.44 3dfh n ASN 341 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3dfh h GLY 342 N -0.34 0.59 0.75 7.41 0.00 -1.98 -1.77 103.07 107.72 3dfh h GLY 342 Ca -0.18 -0.64 -0.01 0.00 0.00 0.00 0.00 47.33 46.50 3dfh h GLY 342 CO 0.11 0.58 -0.29 3.43 0.00 0.00 0.00 176.54 180.37 3dfh h ASN 343 N 0.43 -0.77 -0.68 0.19 2.35 -1.92 0.11 115.58 115.29 3dfh h ASN 343 Ca 0.02 0.06 0.09 0.00 -0.55 0.00 0.00 56.30 55.93 3dfh h ASN 343 Cb 1.01 0.25 -0.07 0.00 0.05 0.00 0.00 38.32 39.55 3dfh h ASN 343 CO 0.09 -0.44 0.31 0.74 -1.65 0.00 0.00 177.43 176.49 3dfh h THR 344 N -0.66 0.82 -0.63 2.81 2.02 -1.76 -0.71 112.91 114.80 3dfh h THR 344 Ca -0.03 -0.18 0.01 0.00 0.77 0.00 0.00 66.41 66.98 3dfh h THR 344 Cb 0.58 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 3dfh h THR 344 CO -0.02 0.10 0.42 0.45 0.37 0.00 0.00 175.52 176.84 3dfh h HIS 345 N 0.53 0.79 -0.09 3.16 3.86 -1.00 0.10 115.15 122.50 3dfh h HIS 345 Ca 0.34 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.55 3dfh h HIS 345 Cb 0.38 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 28.58 3dfh h HIS 345 CO -0.13 0.49 0.01 -0.22 0.86 0.00 0.00 177.93 178.94 3dfh h LYS 346 N 0.85 0.16 -0.42 2.45 3.64 0.14 -3.09 116.57 120.30 3dfh h LYS 346 Ca 0.23 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.51 3dfh h LYS 346 Cb -0.08 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 3dfh h LYS 346 CO -0.05 0.39 0.03 0.28 -2.27 0.00 0.00 179.45 177.82 3dfh h VAL 347 N -0.09 1.22 -3.10 2.00 2.07 -0.34 -3.37 116.25 114.63 3dfh h VAL 347 Ca 0.03 -0.85 -0.62 0.00 0.82 0.00 0.00 66.70 66.08 3dfh h VAL 347 Cb 0.31 0.87 -0.41 0.00 -1.52 0.00 0.00 31.29 30.54 3dfh h VAL 347 CO 0.00 0.30 -0.69 -0.36 0.02 0.00 0.00 177.57 176.84 3dfh s PHE 348 N -5.02 2.60 0.49 1.57 0.08 0.27 0.28 117.98 118.24 3dfh s PHE 348 Ca -0.08 -2.83 -0.22 0.00 0.12 0.00 0.00 56.93 53.91 3dfh s PHE 348 Cb 0.15 -2.29 -0.06 0.00 -0.57 0.00 0.00 43.02 40.25 3dfh s PHE 348 CO 0.78 -0.73 1.23 -2.14 -0.10 0.00 0.00 175.22 174.26 3dfh s PRO 349 N -0.18 3.54 -1.23 0.24 0.02 -1.17 -2.84 135.00 133.39 3dfh s PRO 349 Ca 0.19 1.93 0.00 0.00 0.02 0.00 0.00 61.00 63.14 3dfh s PRO 349 Cb -0.20 -2.35 0.00 0.00 0.02 0.00 0.00 34.50 31.97 3dfh s PRO 349 CO -0.04 -0.77 0.00 0.09 -0.33 0.00 0.00 177.00 175.95 3dfh n ASN 350 N -0.68 -4.28 -4.66 2.53 3.02 -1.26 -4.46 115.26 105.47 3dfh n ASN 350 Ca 0.08 0.16 -0.42 0.00 -0.03 0.00 0.00 54.58 54.37 3dfh n ASN 350 Cb 0.47 -3.18 -0.03 0.00 -0.61 0.00 0.00 39.78 36.44 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 -2.55 3.56 0.11 5.41 0.00 -1.13 -4.90 121.76 122.27 3dfh s ALA 351 Ca 0.00 0.92 -0.29 0.00 0.00 0.00 0.00 51.96 52.59 3dfh s ALA 351 Cb 0.00 -3.77 -0.06 0.00 0.00 0.00 0.00 23.12 19.29 3dfh s ALA 351 CO 0.00 -1.50 0.91 0.00 0.00 0.00 0.00 175.76 175.18 3dfh s ALA 352 N 4.28 3.29 0.20 0.00 0.00 -1.26 -5.06 121.76 123.20 3dfh s ALA 352 Ca 0.75 0.52 0.04 0.00 0.00 0.00 0.00 51.96 53.26 3dfh s ALA 352 Cb -0.33 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 3dfh s ALA 352 CO 0.31 0.03 0.32 -1.21 0.00 0.00 0.00 175.76 175.20 3dfh s GLU 353 N -0.17 3.44 0.54 0.00 0.41 -1.26 -5.06 118.70 116.59 3dfh s GLU 353 Ca 0.44 -0.68 -0.21 0.00 -0.41 0.00 0.00 54.97 54.11 3dfh s GLU 353 Cb -0.23 -2.93 -0.05 0.00 -1.78 0.00 0.00 34.13 29.14 3dfh s GLU 353 CO 0.29 0.47 1.28 -2.14 -0.49 0.00 0.00 175.26 174.67 3dfh s PRO 354 N -3.61 3.25 -0.18 0.39 0.02 -1.26 -4.83 135.00 128.78 3dfh s PRO 354 Ca 0.34 2.03 0.01 0.00 0.02 0.00 0.00 61.00 63.40 3dfh s PRO 354 Cb -0.10 -2.22 0.03 0.00 0.02 0.00 0.00 34.50 32.23 3dfh s PRO 354 CO 0.29 -1.04 -0.13 0.42 -0.33 0.00 0.00 177.00 176.21 3dfh s ILE 355 N -1.42 1.66 -1.58 2.83 1.01 0.15 -4.69 121.20 119.16 3dfh s ILE 355 Ca 0.71 -0.85 -0.17 0.00 0.00 0.00 0.00 60.65 60.34 3dfh s ILE 355 Cb -0.35 -1.64 0.14 0.00 0.01 0.00 0.00 42.46 40.62 3dfh s ILE 355 CO 0.41 0.33 0.70 -3.20 0.00 0.00 0.00 174.94 173.18 3dfh n ASN 356 N 4.71 -3.26 0.00 3.58 5.15 -1.26 -1.90 115.26 122.28 3dfh n ASN 356 Ca -0.16 -0.85 0.00 0.00 -0.60 0.00 0.00 54.58 52.96 3dfh n ASN 356 Cb 0.48 -2.69 0.00 0.00 -0.53 0.00 0.00 39.78 37.04 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 -1.29 0.62 3.01 8.20 0.00 -1.25 -4.70 105.19 109.77 3dfh n GLY 357 Ca 0.06 -0.46 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.00 0.68 -0.11 1.61 2.02 -0.80 -1.51 117.35 117.25 3dfh s TYR 358 Ca 0.00 -0.21 -0.05 0.00 -0.37 0.00 0.00 57.07 56.44 3dfh s TYR 358 Cb 0.00 -0.43 -0.04 0.00 -0.40 0.00 0.00 41.96 41.09 3dfh s TYR 358 CO 0.00 -0.02 0.09 -0.51 -1.57 0.00 0.00 175.55 173.54 3dfh s LEU 359 N -0.51 4.07 -0.10 -1.29 1.43 -0.05 0.32 118.68 122.56 3dfh s LEU 359 Ca 0.00 0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 53.42 3dfh s LEU 359 Cb -0.04 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 3dfh s LEU 359 CO 0.00 0.38 -0.04 -0.31 0.23 0.00 0.00 176.35 176.60 3dfh s TYR 360 N -0.86 3.01 0.59 0.29 1.51 -1.26 -0.82 117.35 119.81 3dfh s TYR 360 Ca 0.13 -0.04 -0.17 0.00 -1.01 0.00 0.00 57.07 55.98 3dfh s TYR 360 Cb -0.12 -1.80 -0.04 0.00 -0.11 0.00 0.00 41.96 39.90 3dfh s TYR 360 CO 0.03 0.25 1.11 0.00 -1.11 0.00 0.00 175.55 175.84 3dfh s ALA 361 N -0.48 2.62 0.61 3.71 0.00 -1.26 -5.01 121.76 121.95 3dfh s ALA 361 Ca 0.08 0.68 -0.19 0.00 0.00 0.00 0.00 51.96 52.53 3dfh s ALA 361 Cb -0.12 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 3dfh s ALA 361 CO 0.02 -0.96 1.24 0.45 0.00 0.00 0.00 175.76 176.52 3dfh s SER 362 N -2.16 4.96 0.00 0.00 0.15 -1.26 -4.96 113.70 110.43 3dfh s SER 362 Ca 0.70 2.49 0.05 0.00 0.70 0.00 0.00 55.95 59.88 3dfh s SER 362 Cb -0.22 -2.61 0.02 0.00 -1.71 0.00 0.00 66.02 61.51 3dfh s SER 362 CO 0.33 -1.75 0.57 -0.62 1.20 0.00 0.00 173.24 172.96 3dfh n GLU 363 N -1.70 0.74 -2.51 5.44 -0.58 -1.26 -4.80 120.64 115.96 3dfh n GLU 363 Ca 0.14 -0.64 -0.26 0.00 -0.42 0.00 0.00 57.16 55.98 3dfh n GLU 363 Cb 0.49 -1.02 0.02 0.00 -0.57 0.00 0.00 31.44 30.36 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 -0.58 3.92 0.28 -3.67 -4.36 -1.26 -4.50 121.20 111.03 3dfh s ILE 364 Ca 0.05 -0.03 -0.30 0.00 -0.26 0.00 0.00 60.65 60.12 3dfh s ILE 364 Cb 0.04 -3.53 -0.13 0.00 1.25 0.00 0.00 42.46 40.09 3dfh s ILE 364 CO 0.08 -0.52 1.30 0.00 0.24 0.00 0.00 174.94 176.04 3dfh n ALA 365 N -2.46 0.94 0.00 2.27 0.00 -1.26 -3.86 120.51 116.13 3dfh n ALA 365 Ca 0.03 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.87 3dfh n ALA 365 Cb 0.57 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.80 3dfh n ALA 365 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dfh n GLY 366 N 1.49 -0.96 0.25 0.00 0.00 -0.62 -3.97 105.19 101.38 3dfh n GLY 366 Ca 0.09 -1.57 -0.09 0.00 0.00 0.00 0.00 46.02 44.44 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 1.28 0.00 -0.61 2.04 -1.84 -1.15 117.51 117.23 3dfh h ILE 367 Ca 0.00 -1.49 0.00 0.00 1.00 0.00 0.00 64.86 64.37 3dfh h ILE 367 Cb 0.00 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 3dfh h ILE 367 CO 0.00 0.49 0.00 0.61 0.00 0.00 0.00 178.15 179.25 3dfh n GLY 368 N -0.05 0.81 2.85 5.37 0.00 -1.25 -4.71 105.19 108.21 3dfh n GLY 368 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.12 0.15 0.28 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 62.01 3dfh s VAL 369 Cb 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 36.38 36.17 3dfh s VAL 369 CO 0.00 0.10 0.01 -0.62 0.00 0.00 0.00 175.10 174.59 3dfh n GLU 370 N 3.72 1.24 -4.71 2.72 1.02 -1.26 -4.86 120.64 118.51 3dfh n GLU 370 Ca -0.22 -2.05 -0.33 0.00 -0.02 0.00 0.00 57.16 54.54 3dfh n GLU 370 Cb 0.54 0.62 -0.13 0.00 -0.02 0.00 0.00 31.44 32.44 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 -2.07 3.34 -0.64 -3.67 2.07 -1.26 -4.26 121.20 114.71 3dfh s ILE 371 Ca 0.01 -0.58 -0.26 0.00 -1.41 0.00 0.00 60.65 58.41 3dfh s ILE 371 Cb 0.00 -2.38 0.04 0.00 0.13 0.00 0.00 42.46 40.24 3dfh s ILE 371 CO 0.01 0.55 1.15 -0.62 -1.91 0.00 0.00 174.94 174.12 3dfh s ASP 372 N -0.17 6.30 0.22 4.50 3.68 0.14 -4.94 116.67 126.40 3dfh s ASP 372 Ca 0.01 -0.30 -0.08 0.00 2.13 0.00 0.00 52.55 54.31 3dfh s ASP 372 Cb -0.13 -2.52 0.24 0.00 -1.45 0.00 0.00 42.92 39.06 3dfh s ASP 372 CO 0.03 -1.55 1.86 0.03 0.13 0.00 0.00 175.17 175.67 3dfh h ARG 373 N 9.67 0.95 -0.45 4.34 2.47 -1.97 -0.99 114.38 128.39 3dfh h ARG 373 Ca -0.27 -0.06 -0.14 0.00 -1.26 0.00 0.00 59.98 58.26 3dfh h ARG 373 Cb 1.06 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 29.15 3dfh h ARG 373 CO 1.20 0.63 -0.25 0.93 0.56 0.00 0.00 179.97 183.04 3dfh h GLU 374 N 0.98 0.97 -0.29 0.04 5.08 -1.98 0.25 114.58 119.64 3dfh h GLU 374 Ca 0.32 -0.44 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 3dfh h GLU 374 Cb 0.03 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3dfh h GLU 374 CO -0.12 1.11 -0.23 0.00 -1.00 0.00 0.00 179.01 178.77 3dfh h ALA 375 N 0.84 1.07 -0.31 3.43 0.00 -1.82 -2.07 119.26 120.39 3dfh h ALA 375 Ca 0.10 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 3dfh h ALA 375 Cb 0.84 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3dfh h ALA 375 CO 0.07 0.57 -0.33 0.00 0.00 0.00 0.00 179.25 179.56 3dfh h ALA 376 N 1.27 0.84 0.00 0.00 0.00 -0.95 -2.63 119.26 117.79 3dfh h ALA 376 Ca 0.07 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3dfh h ALA 376 Cb 0.66 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3dfh h ALA 376 CO 0.05 0.64 0.08 0.00 0.00 0.00 0.00 179.25 180.02 3dfh n ALA 377 N -2.51 0.84 0.46 0.00 0.00 0.06 -1.35 120.51 118.00 3dfh n ALA 377 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.53 3dfh n ALA 377 Cb 0.48 -0.83 0.26 0.00 0.00 0.00 0.00 19.45 19.37 3dfh n ALA 377 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3dfh n GLU 378 N -1.40 2.22 -3.11 0.00 1.02 -0.99 -4.65 120.64 113.73 3dfh n GLU 378 Ca 0.00 -1.87 -0.20 0.00 -0.02 0.00 0.00 57.16 55.06 3dfh n GLU 378 Cb 0.08 -1.44 -0.05 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 1.04 -1.24 0.00 -0.32 3.72 -0.46 -5.03 117.46 115.17 3dfh n PHE 379 Ca 0.18 -3.04 0.00 0.00 -0.05 0.00 0.00 57.45 54.54 3dfh n PHE 379 Cb 0.47 0.23 0.00 0.00 -0.94 0.00 0.00 39.48 39.24 3dfh n PHE 379 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41