#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fne s LYS 2 N 0.00 0.46 -0.56 0.38 2.20 -1.26 -5.12 119.74 115.84 1fne s LYS 2 Ca 0.00 0.84 -0.07 0.00 -0.36 0.00 0.00 55.97 56.39 1fne s LYS 2 Cb 0.00 0.03 0.14 0.00 -1.51 0.00 0.00 37.83 36.50 1fne s LYS 2 CO 0.00 -0.15 0.41 -1.21 -0.36 0.00 0.00 175.35 174.04 1fne s GLU 3 N 1.31 2.56 -0.25 4.03 0.41 -1.26 -5.06 118.70 120.45 1fne s GLU 3 Ca -0.09 -2.12 -0.17 0.00 -0.41 0.00 0.00 54.97 52.19 1fne s GLU 3 Cb -0.07 -3.87 -0.03 0.00 -1.78 0.00 0.00 34.13 28.38 1fne s GLU 3 CO -0.12 -1.18 0.45 -1.21 -0.49 0.00 0.00 175.26 172.71 1fne s GLU 4 N 0.70 4.07 0.17 1.61 2.02 -1.26 -5.04 118.70 120.97 1fne s GLU 4 Ca 0.11 0.21 -0.11 0.00 0.02 0.00 0.00 54.97 55.21 1fne s GLU 4 Cb -0.22 -3.63 -0.00 0.00 0.10 0.00 0.00 34.13 30.38 1fne s GLU 4 CO -0.03 -0.27 0.34 -1.01 0.02 0.00 0.00 175.26 174.31 1fne s HIS 5 N 2.04 0.29 -0.01 1.61 3.76 -1.26 -5.09 115.29 116.61 1fne s HIS 5 Ca 0.19 -0.65 0.00 0.00 -0.15 0.00 0.00 55.06 54.45 1fne s HIS 5 Cb -0.16 0.05 0.02 0.00 1.11 0.00 0.00 32.58 33.60 1fne s HIS 5 CO 0.09 -0.77 0.02 0.99 -0.85 0.00 0.00 174.74 174.22 1fne s THR 6 N -3.95 -0.03 -0.06 1.30 2.01 -1.26 -5.02 115.64 108.63 1fne s THR 6 Ca 0.16 0.14 0.06 0.00 0.31 0.00 0.00 61.69 62.36 1fne s THR 6 Cb 0.02 -0.06 -0.01 0.00 0.01 0.00 0.00 72.50 72.46 1fne s THR 6 CO -0.00 0.06 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.13 1fne s ILE 7 N 0.72 1.92 -0.05 1.82 1.01 -1.26 -0.57 121.20 124.80 1fne s ILE 7 Ca -0.06 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 59.62 1fne s ILE 7 Cb -0.09 -1.63 0.01 0.00 0.01 0.00 0.00 42.46 40.77 1fne s ILE 7 CO -0.02 0.54 -0.10 -0.63 0.00 0.00 0.00 174.94 174.73 1fne s ILE 8 N -0.11 0.93 -0.35 2.92 1.01 0.11 -4.95 121.20 120.76 1fne s ILE 8 Ca -0.04 -0.39 -0.12 0.00 0.00 0.00 0.00 60.65 60.09 1fne s ILE 8 Cb -0.13 -0.86 -0.01 0.00 0.01 0.00 0.00 42.46 41.47 1fne s ILE 8 CO 0.04 0.30 0.23 -1.58 0.00 0.00 0.00 174.94 173.93 1fne s GLN 9 N 0.52 3.32 -0.12 2.79 0.74 -1.26 -0.06 119.66 125.60 1fne s GLN 9 Ca -0.10 -0.76 0.01 0.00 0.05 0.00 0.00 55.36 54.56 1fne s GLN 9 Cb -0.13 -3.78 -0.02 0.00 1.10 0.00 0.00 33.01 30.18 1fne s GLN 9 CO 0.02 -0.51 -0.14 0.00 -0.55 0.00 0.00 175.29 174.11 1fne s ALA 10 N 1.68 2.59 0.01 1.58 0.00 -0.18 -5.00 121.76 122.45 1fne s ALA 10 Ca 0.05 -0.91 -0.10 0.00 0.00 0.00 0.00 51.96 51.00 1fne s ALA 10 Cb -0.18 -1.15 0.01 0.00 0.00 0.00 0.00 23.12 21.80 1fne s ALA 10 CO 0.09 0.29 0.21 -1.83 0.00 0.00 0.00 175.76 174.53 1fne s GLU 11 N 0.20 0.60 0.20 0.00 -1.05 -1.26 -1.00 118.70 116.39 1fne s GLU 11 Ca -0.09 -0.38 -0.21 0.00 -0.15 0.00 0.00 54.97 54.14 1fne s GLU 11 Cb -0.15 0.26 0.05 0.00 -0.44 0.00 0.00 34.13 33.84 1fne s GLU 11 CO 0.05 -0.16 0.61 -0.59 0.95 0.00 0.00 175.26 176.12 1fne s PHE 12 N -1.66 -0.37 -0.02 4.83 -0.12 -0.58 -4.98 117.98 115.09 1fne s PHE 12 Ca -0.12 0.07 0.01 0.00 -0.05 0.00 0.00 56.93 56.84 1fne s PHE 12 Cb -0.05 0.56 0.02 0.00 -0.63 0.00 0.00 43.02 42.92 1fne s PHE 12 CO 0.01 -0.96 -0.01 -0.47 -0.05 0.00 0.00 175.22 173.74 1fne s TYR 13 N -3.81 0.36 -0.03 3.49 5.04 -1.26 -1.13 117.35 120.00 1fne s TYR 13 Ca 0.05 -0.04 0.07 0.00 -2.44 0.00 0.00 57.07 54.71 1fne s TYR 13 Cb -0.02 -0.38 -0.01 0.00 0.35 0.00 0.00 41.96 41.90 1fne s TYR 13 CO -0.06 -0.10 -0.23 -1.17 -1.34 0.00 0.00 175.55 172.65 1fne s LEU 14 N 0.70 2.04 0.19 6.97 2.96 0.19 -4.97 118.68 126.76 1fne s LEU 14 Ca -0.07 -0.44 0.11 0.00 -0.22 0.00 0.00 54.13 53.51 1fne s LEU 14 Cb -0.10 -1.22 -0.04 0.00 0.50 0.00 0.00 46.19 45.32 1fne s LEU 14 CO -0.01 0.26 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.30 1fne s LEU 15 N -0.39 2.45 0.00 -0.68 1.43 -1.26 -0.20 118.68 120.02 1fne s LEU 15 Ca 0.05 -0.88 0.18 0.00 -1.03 0.00 0.00 54.13 52.45 1fne s LEU 15 Cb -0.10 -1.06 0.91 0.00 0.03 0.00 0.00 46.19 45.96 1fne s LEU 15 CO 0.01 0.07 1.61 -0.81 0.23 0.00 0.00 176.35 177.45 1fne n PRO 16 N 0.19 1.26 0.31 1.29 -0.04 -1.26 -4.86 135.00 131.90 1fne n PRO 16 Ca -0.12 -0.40 0.21 0.00 -0.04 0.00 0.00 63.50 63.15 1fne n PRO 16 Cb 0.57 -1.31 1.01 0.00 -0.04 0.00 0.00 33.50 33.73 1fne n PRO 16 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1fne h ASP 17 N 0.79 0.00 -5.79 3.54 5.19 -2.02 -3.46 116.42 114.66 1fne h ASP 17 Ca 0.00 0.00 -0.35 0.00 -0.62 0.00 0.00 57.03 56.06 1fne h ASP 17 Cb 0.17 0.00 0.13 0.00 0.18 0.00 0.00 39.33 39.82 1fne h ASP 17 CO 0.00 0.00 -0.83 0.29 -3.12 0.00 0.00 179.24 175.58 1fne n LYS 18 N -3.10 -4.37 -4.92 3.56 5.02 0.71 -5.01 118.16 110.05 1fne n LYS 18 Ca -0.02 0.74 -0.27 0.00 -2.02 0.00 0.00 58.31 56.74 1fne n LYS 18 Cb 0.17 -5.46 -0.16 0.00 -0.02 0.00 0.00 35.03 29.55 1fne n LYS 18 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1fne s ARG 19 N -5.36 1.96 0.39 1.97 1.81 -0.79 -4.95 118.95 113.98 1fne s ARG 19 Ca 0.17 -0.67 0.06 0.00 -1.72 0.00 0.00 55.73 53.58 1fne s ARG 19 Cb -0.03 -1.69 -0.08 0.00 -0.45 0.00 0.00 34.95 32.71 1fne s ARG 19 CO 0.77 0.26 0.02 0.20 -0.68 0.00 0.00 175.30 175.87 1fne s GLY 20 N 0.02 2.40 -0.15 -3.53 0.00 -1.26 0.57 107.32 105.37 1fne s GLY 20 Ca -0.04 -2.25 -0.26 0.00 0.00 0.00 0.00 44.72 42.17 1fne s GLY 20 CO 0.03 -2.03 0.65 1.85 0.00 0.00 0.00 173.10 173.60 1fne s GLU 21 N -3.75 0.90 -0.12 2.90 2.12 -0.29 -4.93 118.70 115.53 1fne s GLU 21 Ca 0.35 0.56 -0.04 0.00 0.36 0.00 0.00 54.97 56.21 1fne s GLU 21 Cb 0.09 0.43 0.06 0.00 0.26 0.00 0.00 34.13 34.98 1fne s GLU 21 CO 0.17 -0.20 0.19 0.12 -0.54 0.00 0.00 175.26 175.00 1fne s PHE 22 N -0.44 -0.23 0.13 5.30 2.19 -1.26 -1.52 117.98 122.16 1fne s PHE 22 Ca -0.06 0.54 -0.04 0.00 0.33 0.00 0.00 56.93 57.71 1fne s PHE 22 Cb -0.03 -0.27 -0.03 0.00 -1.31 0.00 0.00 43.02 41.39 1fne s PHE 22 CO 0.05 -0.37 0.12 0.00 1.83 0.00 0.00 175.22 176.85 1fne s MET 23 N 2.32 0.97 -0.04 10.12 0.23 -0.17 -1.28 119.30 131.45 1fne s MET 23 Ca 0.04 -1.33 0.07 0.00 -1.03 0.00 0.00 55.69 53.44 1fne s MET 23 Cb -0.13 0.28 -0.01 0.00 -1.53 0.00 0.00 34.83 33.44 1fne s MET 23 CO -0.08 -0.30 -0.25 -0.06 -2.03 0.00 0.00 175.02 172.30 1fne s PHE 24 N -4.01 2.31 -0.04 3.16 0.40 -0.34 -1.01 117.98 118.45 1fne s PHE 24 Ca 0.20 -0.56 0.05 0.00 -0.60 0.00 0.00 56.93 56.02 1fne s PHE 24 Cb 0.06 -1.50 -0.01 0.00 0.51 0.00 0.00 43.02 42.08 1fne s PHE 24 CO 0.00 -0.12 -0.21 0.34 0.70 0.00 0.00 175.22 175.93 1fne s ASP 25 N -0.37 2.55 -0.22 1.36 -1.08 0.91 -0.49 116.67 119.33 1fne s ASP 25 Ca 0.03 -0.42 0.01 0.00 -0.52 0.00 0.00 52.55 51.66 1fne s ASP 25 Cb -0.12 -0.64 0.05 0.00 -1.46 0.00 0.00 42.92 40.76 1fne s ASP 25 CO 0.01 0.21 -0.11 0.12 0.52 0.00 0.00 175.17 175.92 1fne s PHE 26 N -0.12 2.69 -1.24 -5.34 2.19 0.71 0.06 117.98 116.93 1fne s PHE 26 Ca -0.02 -1.83 -0.08 0.00 0.33 0.00 0.00 56.93 55.33 1fne s PHE 26 Cb -0.12 -1.74 0.06 0.00 -1.31 0.00 0.00 43.02 39.91 1fne s PHE 26 CO 0.02 -0.79 0.42 -0.25 1.83 0.00 0.00 175.22 176.45 1fne n ASP 27 N 4.60 -3.73 0.00 6.13 8.00 0.27 -1.48 116.55 130.34 1fne n ASP 27 Ca -0.15 -0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.05 1fne n ASP 27 Cb 0.45 -3.10 0.00 0.00 -0.02 0.00 0.00 41.12 38.45 1fne n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fne n GLY 28 N -1.12 0.51 3.51 0.44 0.00 -1.26 -5.05 105.19 102.23 1fne n GLY 28 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 1fne n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fne s ASP 29 N -2.53 4.14 0.04 1.61 1.01 -0.55 -5.05 116.67 115.34 1fne s ASP 29 Ca 0.00 -0.32 -0.30 0.00 0.71 0.00 0.00 52.55 52.64 1fne s ASP 29 Cb 0.00 -0.80 -0.05 0.00 1.01 0.00 0.00 42.92 43.08 1fne s ASP 29 CO 0.00 0.26 1.20 -0.70 0.21 0.00 0.00 175.17 176.14 1fne s GLU 30 N -1.47 4.42 -0.17 8.23 2.12 -1.26 -0.21 118.70 130.36 1fne s GLU 30 Ca 0.16 1.75 -0.22 0.00 0.36 0.00 0.00 54.97 57.02 1fne s GLU 30 Cb -0.11 -3.39 -0.23 0.00 0.26 0.00 0.00 34.13 30.67 1fne s GLU 30 CO 0.07 -0.29 0.43 0.82 -0.54 0.00 0.00 175.26 175.75 1fne h ILE 31 N 4.60 1.18 -2.02 -3.70 2.04 -1.14 -3.41 117.51 115.06 1fne h ILE 31 Ca -0.40 -2.27 0.21 0.00 1.00 0.00 0.00 64.86 63.40 1fne h ILE 31 Cb 1.21 2.64 -0.12 0.00 -0.74 0.00 0.00 36.82 39.81 1fne h ILE 31 CO 0.82 0.47 0.60 0.72 0.00 0.00 0.00 178.15 180.77 1fne s PHE 32 N -2.34 -0.15 0.11 1.37 -0.12 -1.23 -1.05 117.98 114.56 1fne s PHE 32 Ca -0.24 -0.04 -0.05 0.00 -0.05 0.00 0.00 56.93 56.55 1fne s PHE 32 Cb 0.03 0.58 -0.02 0.00 -0.63 0.00 0.00 43.02 42.98 1fne s PHE 32 CO 0.65 -0.57 0.12 -3.38 -0.05 0.00 0.00 175.22 171.99 1fne s HIS 33 N -2.95 0.52 -0.13 3.49 -3.43 -0.75 -1.20 115.29 110.83 1fne s HIS 33 Ca 0.11 -0.94 -0.03 0.00 -0.80 0.00 0.00 55.06 53.40 1fne s HIS 33 Cb 0.00 -0.27 -0.03 0.00 -1.43 0.00 0.00 32.58 30.86 1fne s HIS 33 CO -0.02 -0.54 -0.04 0.08 -2.00 0.00 0.00 174.74 172.22 1fne s VAL 34 N -3.96 3.94 -0.64 -5.38 1.01 -0.40 -0.69 120.40 114.28 1fne s VAL 34 Ca 0.14 -0.35 -0.27 0.00 0.00 0.00 0.00 61.98 61.50 1fne s VAL 34 Cb 0.06 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.76 1fne s VAL 34 CO -0.04 0.52 1.41 -0.62 0.00 0.00 0.00 175.10 176.37 1fne s ASP 35 N 0.03 6.05 0.24 3.32 -1.08 0.03 -4.53 116.67 120.74 1fne s ASP 35 Ca 0.00 0.01 -0.05 0.00 -0.52 0.00 0.00 52.55 51.99 1fne s ASP 35 Cb -0.13 -2.55 0.36 0.00 -1.46 0.00 0.00 42.92 39.14 1fne s ASP 35 CO 0.03 -1.83 1.84 0.40 0.52 0.00 0.00 175.17 176.12 1fne h ILE 36 N 6.30 1.00 0.00 4.11 1.08 -1.92 0.38 117.51 128.46 1fne h ILE 36 Ca -0.27 -0.31 0.00 0.00 -0.39 0.00 0.00 64.86 63.89 1fne h ILE 36 Cb 1.08 -0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.83 1fne h ILE 36 CO 1.22 0.17 0.00 -0.33 -0.69 0.00 0.00 178.15 178.52 1fne h GLU 37 N 0.92 0.00 -0.00 2.37 4.39 -1.98 -3.19 114.58 117.08 1fne h GLU 37 Ca 0.39 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.09 1fne h GLU 37 Cb 0.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1fne h GLU 37 CO -0.20 0.00 -0.15 1.63 -1.16 0.00 0.00 179.01 179.13 1fne n LYS 38 N -2.73 2.83 -3.64 2.33 5.02 -0.87 -5.02 118.16 116.09 1fne n LYS 38 Ca 0.03 -0.39 -0.24 0.00 -2.02 0.00 0.00 58.31 55.69 1fne n LYS 38 Cb 0.36 -0.92 0.04 0.00 -0.02 0.00 0.00 35.03 34.49 1fne n LYS 38 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1fne n SER 39 N -0.48 -3.25 -3.89 4.39 2.88 0.13 -5.00 113.62 108.41 1fne n SER 39 Ca 0.02 -0.88 -0.13 0.00 -1.33 0.00 0.00 58.87 56.55 1fne n SER 39 Cb 0.12 -3.97 -0.14 0.00 -0.75 0.00 0.00 64.21 59.47 1fne n SER 39 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1fne s GLU 40 N -5.76 0.13 -0.25 -1.46 -1.05 -1.12 -4.74 118.70 104.45 1fne s GLU 40 Ca 0.22 -0.04 -0.29 0.00 -0.15 0.00 0.00 54.97 54.71 1fne s GLU 40 Cb -0.06 -0.14 0.01 0.00 -0.44 0.00 0.00 34.13 33.49 1fne s GLU 40 CO 0.82 0.02 1.06 0.99 0.95 0.00 0.00 175.26 179.10 1fne s THR 41 N 0.04 4.62 -0.35 1.83 2.01 -1.26 -0.79 115.64 121.74 1fne s THR 41 Ca -0.00 1.93 -0.08 0.00 0.31 0.00 0.00 61.69 63.85 1fne s THR 41 Cb -0.02 -4.32 0.03 0.00 0.01 0.00 0.00 72.50 68.21 1fne s THR 41 CO -0.00 -0.25 0.14 -0.63 -0.69 0.00 0.00 174.62 173.18 1fne s ILE 42 N 3.33 4.08 0.26 1.82 -1.09 0.13 -4.99 121.20 124.73 1fne s ILE 42 Ca 0.45 -0.99 -0.30 0.00 -2.23 0.00 0.00 60.65 57.58 1fne s ILE 42 Cb -0.15 -3.27 -0.09 0.00 -1.58 0.00 0.00 42.46 37.37 1fne s ILE 42 CO 0.09 -0.17 1.02 0.26 -1.23 0.00 0.00 174.94 174.90 1fne s TRP 43 N 1.46 3.79 0.21 3.97 0.52 -1.26 -1.82 118.94 125.82 1fne s TRP 43 Ca 0.00 1.81 -0.08 0.00 0.02 0.00 0.00 56.10 57.85 1fne s TRP 43 Cb -0.19 -3.13 0.17 0.00 -1.15 0.00 0.00 33.47 29.17 1fne s TRP 43 CO 0.04 -0.03 1.81 -0.09 0.02 0.00 0.00 176.95 178.70 1fne h ARG 44 N 4.00 1.15 -5.19 4.98 9.65 -1.33 -3.40 114.38 124.25 1fne h ARG 44 Ca -0.46 -0.16 -0.64 0.00 -1.10 0.00 0.00 59.98 57.62 1fne h ARG 44 Cb 1.21 -0.21 -0.33 0.00 -1.39 0.00 0.00 29.97 29.24 1fne h ARG 44 CO 0.68 0.87 -0.87 -0.51 2.80 0.00 0.00 179.97 182.94 1fne s LEU 45 N -9.86 1.99 0.26 3.80 1.43 -1.26 -5.04 118.68 110.01 1fne s LEU 45 Ca -0.13 -0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 52.46 1fne s LEU 45 Cb 0.16 -1.28 0.57 0.00 0.03 0.00 0.00 46.19 45.66 1fne s LEU 45 CO 0.82 0.14 1.71 -0.08 0.23 0.00 0.00 176.35 179.16 1fne h GLU 46 N 6.74 0.38 -0.47 1.70 4.81 -1.99 -1.36 114.58 124.38 1fne h GLU 46 Ca -0.22 -0.02 0.14 0.00 -0.13 0.00 0.00 59.36 59.12 1fne h GLU 46 Cb 1.23 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 1fne h GLU 46 CO 0.47 0.25 0.46 1.05 -0.73 0.00 0.00 179.01 180.51 1fne h GLU 47 N 0.39 0.00 -0.22 1.92 4.11 -1.96 -1.97 114.58 116.85 1fne h GLU 47 Ca 0.47 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.87 1fne h GLU 47 Cb 0.82 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 1fne h GLU 47 CO -0.48 0.00 -0.03 0.74 0.07 0.00 0.00 179.01 179.31 1fne h PHE 48 N 0.00 0.33 -0.77 2.06 0.04 -1.65 -3.20 116.94 113.75 1fne h PHE 48 Ca 0.22 -0.02 0.19 0.00 2.80 0.00 0.00 57.97 61.16 1fne h PHE 48 Cb 1.15 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 39.16 1fne h PHE 48 CO 0.00 0.36 0.53 0.00 -0.60 0.00 0.00 178.31 178.60 1fne h ALA 49 N 1.66 2.45 -0.00 2.45 0.00 -1.53 -1.36 119.26 122.93 1fne h ALA 49 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1fne h ALA 49 Cb 0.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1fne h ALA 49 CO 0.01 -0.67 -0.04 0.36 0.00 0.00 0.00 179.25 178.91 1fne n LYS 50 N -4.40 0.79 0.00 0.00 2.85 -1.21 -3.66 118.16 112.53 1fne n LYS 50 Ca 0.15 -0.16 0.07 0.00 -1.05 0.00 0.00 58.31 57.32 1fne n LYS 50 Cb 0.71 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 33.52 1fne n LYS 50 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1fne n PHE 51 N -0.96 0.00 -3.82 5.58 3.72 -0.51 -5.05 117.46 116.41 1fne n PHE 51 Ca 0.18 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.55 1fne n PHE 51 Cb 0.22 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.77 1fne n PHE 51 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1fne s ALA 52 N -2.33 -1.71 0.12 4.37 0.00 -1.22 -5.17 121.76 115.81 1fne s ALA 52 Ca 0.07 -0.08 -0.11 0.00 0.00 0.00 0.00 51.96 51.84 1fne s ALA 52 Cb 0.11 0.69 0.01 0.00 0.00 0.00 0.00 23.12 23.93 1fne s ALA 52 CO 0.58 -1.06 0.27 -1.54 0.00 0.00 0.00 175.76 174.01 1fne s SER 53 N -3.24 0.02 -0.10 0.00 1.04 -1.26 -4.72 113.70 105.44 1fne s SER 53 Ca 0.18 -0.63 -0.05 0.00 0.48 0.00 0.00 55.95 55.94 1fne s SER 53 Cb -0.01 0.40 0.05 0.00 0.10 0.00 0.00 66.02 66.55 1fne s SER 53 CO 0.03 -0.81 0.23 0.12 0.98 0.00 0.00 173.24 173.79 1fne s PHE 54 N -3.88 -0.30 -0.45 5.02 5.36 -1.26 -5.11 117.98 117.36 1fne s PHE 54 Ca 0.08 0.75 -0.29 0.00 -0.96 0.00 0.00 56.93 56.51 1fne s PHE 54 Cb 0.04 0.01 0.01 0.00 -0.34 0.00 0.00 43.02 42.74 1fne s PHE 54 CO -0.08 -0.23 1.39 -2.00 -1.46 0.00 0.00 175.22 172.83 1fne s GLU 55 N 1.38 3.52 0.40 10.12 2.12 -1.26 -4.74 118.70 130.23 1fne s GLU 55 Ca -0.08 0.79 0.16 0.00 0.36 0.00 0.00 54.97 56.20 1fne s GLU 55 Cb -0.11 -4.04 1.03 0.00 0.26 0.00 0.00 34.13 31.27 1fne s GLU 55 CO -0.08 -1.65 1.84 0.00 -0.54 0.00 0.00 175.26 174.84 1fne h ALA 56 N 10.70 2.13 -0.62 6.30 0.00 -1.94 -1.01 119.26 134.82 1fne h ALA 56 Ca -0.27 0.03 0.18 0.00 0.00 0.00 0.00 54.91 54.85 1fne h ALA 56 Cb 1.10 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1fne h ALA 56 CO 1.11 -0.43 0.44 1.96 0.00 0.00 0.00 179.25 182.33 1fne h GLN 57 N 0.46 0.01 -0.33 0.00 1.08 -1.89 0.24 115.11 114.68 1fne h GLN 57 Ca 0.49 -0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.63 1fne h GLN 57 Cb 1.14 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.55 1fne h GLN 57 CO -0.21 0.00 -0.04 0.78 -0.95 0.00 0.00 178.83 178.42 1fne h GLY 58 N 0.01 0.57 0.96 3.46 0.00 -1.58 -1.44 103.07 105.05 1fne h GLY 58 Ca 0.29 -0.35 -0.15 0.00 0.00 0.00 0.00 47.33 47.12 1fne h GLY 58 CO -0.01 0.33 -0.47 0.00 0.00 0.00 0.00 176.54 176.39 1fne h ALA 59 N 1.47 0.29 -0.63 3.60 0.00 -1.10 -2.42 119.26 120.48 1fne h ALA 59 Ca 0.10 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1fne h ALA 59 Cb 0.38 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1fne h ALA 59 CO 0.02 0.45 0.29 -0.07 0.00 0.00 0.00 179.25 179.93 1fne h LEU 60 N 0.30 0.81 -0.29 0.00 3.38 -1.30 0.64 115.31 118.85 1fne h LEU 60 Ca -0.01 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1fne h LEU 60 Cb 1.09 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1fne h LEU 60 CO 0.10 0.70 0.11 0.00 0.09 0.00 0.00 178.44 179.44 1fne h ALA 61 N 1.42 0.38 -0.27 1.53 0.00 -1.21 -1.53 119.26 119.59 1fne h ALA 61 Ca 0.22 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1fne h ALA 61 Cb 0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1fne h ALA 61 CO -0.03 -0.01 0.17 -0.91 0.00 0.00 0.00 179.25 178.47 1fne h ASN 62 N 0.32 0.32 -0.86 0.00 4.21 -0.89 -2.36 115.58 116.32 1fne h ASN 62 Ca 0.10 -0.04 0.08 0.00 1.21 0.00 0.00 56.30 57.65 1fne h ASN 62 Cb 0.20 -0.08 -0.06 0.00 -1.12 0.00 0.00 38.32 37.26 1fne h ASN 62 CO -0.01 0.26 0.56 0.40 -1.29 0.00 0.00 177.43 177.35 1fne h ILE 63 N 0.35 1.00 -0.52 2.81 1.08 -0.72 0.59 117.51 122.11 1fne h ILE 63 Ca 0.10 -0.31 -0.05 0.00 -0.39 0.00 0.00 64.86 64.21 1fne h ILE 63 Cb -0.01 0.04 -0.02 0.00 -3.07 0.00 0.00 36.82 33.76 1fne h ILE 63 CO -0.02 0.16 0.12 0.00 -0.69 0.00 0.00 178.15 177.72 1fne h ALA 64 N 1.55 1.23 -0.31 1.87 0.00 -0.80 -0.39 119.26 122.41 1fne h ALA 64 Ca 0.38 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 1fne h ALA 64 Cb 0.32 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1fne h ALA 64 CO -0.15 0.53 -0.30 0.28 0.00 0.00 0.00 179.25 179.61 1fne h VAL 65 N 0.77 1.29 -0.51 0.00 2.07 -0.50 -2.22 116.25 117.15 1fne h VAL 65 Ca 0.17 -1.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.20 1fne h VAL 65 Cb 0.29 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1fne h VAL 65 CO -0.00 0.47 0.21 0.44 0.02 0.00 0.00 177.57 178.72 1fne h ASP 66 N 0.52 0.65 -0.35 0.57 3.32 -0.58 0.36 116.42 120.92 1fne h ASP 66 Ca 0.05 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 1fne h ASP 66 Cb 0.87 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 1fne h ASP 66 CO 0.07 0.58 0.09 0.50 -1.72 0.00 0.00 179.24 178.77 1fne h LYS 67 N 0.72 0.56 -0.44 3.56 3.64 -0.91 0.30 116.57 123.99 1fne h LYS 67 Ca 0.17 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 1fne h LYS 67 Cb 0.12 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1fne h LYS 67 CO -0.02 0.60 0.06 0.00 -2.27 0.00 0.00 179.45 177.82 1fne h ALA 68 N 0.93 0.59 -0.45 5.00 0.00 -0.95 -2.88 119.26 121.50 1fne h ALA 68 Ca 0.11 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1fne h ALA 68 Cb 0.28 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1fne h ALA 68 CO -0.00 0.33 0.10 -0.91 0.00 0.00 0.00 179.25 178.77 1fne h ASN 69 N 0.60 0.62 -0.70 0.00 2.35 -0.73 -2.70 115.58 115.03 1fne h ASN 69 Ca 0.13 -0.10 0.03 0.00 -0.55 0.00 0.00 56.30 55.81 1fne h ASN 69 Cb 0.40 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.57 1fne h ASN 69 CO 0.01 0.63 0.44 0.25 -1.65 0.00 0.00 177.43 177.11 1fne h LEU 70 N 0.66 0.72 -0.96 1.61 5.85 -0.72 -0.31 115.31 122.17 1fne h LEU 70 Ca 0.15 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1fne h LEU 70 Cb 0.25 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 1fne h LEU 70 CO -0.00 0.50 0.63 0.44 -0.34 0.00 0.00 178.44 179.66 1fne h ASP 71 N 0.86 1.11 -0.49 1.25 3.32 -1.43 0.97 116.42 122.01 1fne h ASP 71 Ca 0.28 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.27 1fne h ASP 71 Cb 0.01 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 1fne h ASP 71 CO -0.11 0.81 0.21 0.58 -1.72 0.00 0.00 179.24 179.01 1fne h VAL 72 N 1.30 1.20 -0.59 -1.35 2.07 -1.15 -1.25 116.25 116.49 1fne h VAL 72 Ca 0.35 -0.62 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 1fne h VAL 72 Cb -0.14 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1fne h VAL 72 CO -0.07 0.24 0.11 0.24 0.02 0.00 0.00 177.57 178.10 1fne h MET 73 N 0.65 0.97 -0.72 1.57 2.86 -0.48 0.24 114.93 120.02 1fne h MET 73 Ca 0.16 -0.25 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 1fne h MET 73 Cb 0.17 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 1fne h MET 73 CO -0.02 0.91 0.36 0.87 1.06 0.00 0.00 176.91 180.10 1fne h LYS 74 N 0.87 1.01 -0.08 1.72 1.57 -0.65 -1.12 116.57 119.89 1fne h LYS 74 Ca 0.18 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 1fne h LYS 74 Cb 0.40 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 1fne h LYS 74 CO 0.01 0.76 -0.14 1.49 -0.57 0.00 0.00 179.45 181.00 1fne h GLU 75 N 1.01 0.24 -0.18 3.15 4.81 -0.82 0.56 114.58 123.35 1fne h GLU 75 Ca 0.25 -0.15 0.05 0.00 -0.13 0.00 0.00 59.36 59.38 1fne h GLU 75 Cb 0.07 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1fne h GLU 75 CO -0.04 0.73 0.13 -0.09 -0.73 0.00 0.00 179.01 179.01 1fne h ARG 76 N -0.22 0.00 -0.50 1.92 2.43 -0.24 -1.69 114.38 116.09 1fne h ARG 76 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1fne h ARG 76 Cb 0.71 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1fne h ARG 76 CO 0.03 0.00 0.00 -1.13 -1.51 0.00 0.00 179.97 177.36 1fne n SER 77 N -4.46 3.43 -3.66 -3.80 3.41 -0.45 -4.97 113.62 103.12 1fne n SER 77 Ca 0.01 -1.96 -0.24 0.00 -0.26 0.00 0.00 58.87 56.42 1fne n SER 77 Cb 0.26 -0.33 0.06 0.00 -0.26 0.00 0.00 64.21 63.95 1fne n SER 77 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1fne n ASN 78 N 1.25 -4.60 -4.06 4.04 5.15 -0.63 -2.47 115.26 113.93 1fne n ASN 78 Ca 0.19 -0.65 -0.31 0.00 -0.60 0.00 0.00 54.58 53.21 1fne n ASN 78 Cb 0.55 -4.66 -0.01 0.00 -0.53 0.00 0.00 39.78 35.12 1fne n ASN 78 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1fne n ASN 79 N -3.00 -2.41 -4.44 1.20 3.02 0.19 -4.92 115.26 104.90 1fne n ASN 79 Ca -0.07 -0.96 -0.44 0.00 -0.03 0.00 0.00 54.58 53.08 1fne n ASN 79 Cb 0.59 -3.10 -0.06 0.00 -0.61 0.00 0.00 39.78 36.60 1fne n ASN 79 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1fne s THR 80 N -3.55 4.84 0.78 3.41 2.01 -1.03 -5.06 115.64 117.04 1fne s THR 80 Ca 0.44 -0.51 -0.09 0.00 0.31 0.00 0.00 61.69 61.83 1fne s THR 80 Cb -0.23 -4.33 0.09 0.00 0.01 0.00 0.00 72.50 68.03 1fne s THR 80 CO 0.89 -0.86 1.11 -2.16 -0.69 0.00 0.00 174.62 172.92 1fne s PRO 81 N 2.71 1.87 0.33 4.92 0.04 -1.26 -5.05 135.00 138.55 1fne s PRO 81 Ca 0.15 -0.20 0.02 0.00 0.04 0.00 0.00 61.00 61.01 1fne s PRO 81 Cb -0.19 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.31 1fne s PRO 81 CO 0.12 -1.54 0.17 -0.25 0.04 0.00 0.00 177.00 175.54 1fne n ASP 82 N -3.17 2.30 -4.82 6.66 8.00 -1.26 -5.12 116.55 119.13 1fne n ASP 82 Ca 0.09 -2.21 -0.33 0.00 0.71 0.00 0.00 54.79 53.05 1fne n ASP 82 Cb 0.60 0.05 -0.07 0.00 -0.02 0.00 0.00 41.12 41.68 1fne n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fne s ALA 83 N -2.49 3.11 0.28 2.24 0.00 -1.26 -5.03 121.76 118.61 1fne s ALA 83 Ca 0.13 0.33 -0.28 0.00 0.00 0.00 0.00 51.96 52.14 1fne s ALA 83 Cb -0.01 -3.07 -0.09 0.00 0.00 0.00 0.00 23.12 19.94 1fne s ALA 83 CO 0.08 0.17 1.00 -0.80 0.00 0.00 0.00 175.76 176.21 1fne s ASN 84 N -2.16 7.40 -0.35 0.00 0.01 -1.26 -4.90 114.94 113.68 1fne s ASN 84 Ca 0.60 2.03 -0.06 0.00 -0.71 0.00 0.00 52.86 54.71 1fne s ASN 84 Cb -0.10 -2.61 0.05 0.00 0.41 0.00 0.00 41.25 39.01 1fne s ASN 84 CO 0.15 -0.03 0.12 -0.69 -1.51 0.00 0.00 177.10 175.14 1fne s VAL 85 N -1.31 3.73 0.52 1.60 1.01 0.11 -4.70 120.40 121.35 1fne s VAL 85 Ca 0.45 -1.26 -0.22 0.00 0.00 0.00 0.00 61.98 60.96 1fne s VAL 85 Cb -0.26 -3.17 -0.06 0.00 0.00 0.00 0.00 36.38 32.90 1fne s VAL 85 CO 0.32 -0.25 1.25 0.00 0.00 0.00 0.00 175.10 176.43 1fne s ALA 86 N 1.37 2.85 0.59 5.51 0.00 -1.26 -2.05 121.76 128.77 1fne s ALA 86 Ca -0.01 1.12 -0.09 0.00 0.00 0.00 0.00 51.96 52.98 1fne s ALA 86 Cb -0.20 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.42 1fne s ALA 86 CO 0.02 -1.04 0.95 -1.25 0.00 0.00 0.00 175.76 174.45 1fne s PRO 87 N -2.87 3.37 -0.01 0.00 0.04 -1.26 -4.57 135.00 129.69 1fne s PRO 87 Ca 0.69 0.44 -0.04 0.00 0.04 0.00 0.00 61.00 62.13 1fne s PRO 87 Cb -0.34 -2.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.98 1fne s PRO 87 CO 0.40 -0.56 0.21 -1.21 0.04 0.00 0.00 177.00 175.88 1fne s GLU 88 N -5.06 3.49 -0.03 4.56 2.02 0.05 -4.90 118.70 118.83 1fne s GLU 88 Ca 0.53 -0.22 0.04 0.00 0.02 0.00 0.00 54.97 55.34 1fne s GLU 88 Cb -0.11 -3.10 -0.00 0.00 0.10 0.00 0.00 34.13 31.02 1fne s GLU 88 CO 0.50 0.67 -0.14 0.08 0.02 0.00 0.00 175.26 176.39 1fne s VAL 89 N -1.29 1.15 -0.01 2.63 1.01 -1.26 -0.78 120.40 121.85 1fne s VAL 89 Ca 0.26 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.69 1fne s VAL 89 Cb -0.13 -0.99 -0.00 0.00 0.00 0.00 0.00 36.38 35.26 1fne s VAL 89 CO 0.17 0.34 -0.06 -0.89 0.00 0.00 0.00 175.10 174.65 1fne s THR 90 N 0.02 0.49 -0.09 3.92 2.01 -0.29 -4.98 115.64 116.72 1fne s THR 90 Ca -0.02 -0.26 0.03 0.00 0.31 0.00 0.00 61.69 61.75 1fne s THR 90 Cb -0.09 -0.41 0.01 0.00 0.01 0.00 0.00 72.50 72.01 1fne s THR 90 CO 0.01 0.14 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.21 1fne s VAL 91 N -0.14 1.61 0.11 3.82 1.01 -1.26 0.29 120.40 125.85 1fne s VAL 91 Ca 0.02 -0.75 -0.11 0.00 0.00 0.00 0.00 61.98 61.14 1fne s VAL 91 Cb -0.02 -1.43 0.01 0.00 0.00 0.00 0.00 36.38 34.94 1fne s VAL 91 CO -0.00 0.46 0.28 -1.48 0.00 0.00 0.00 175.10 174.36 1fne s LEU 92 N 0.59 1.00 0.34 3.92 2.34 -0.53 -4.98 118.68 121.37 1fne s LEU 92 Ca -0.15 -0.57 -0.10 0.00 0.06 0.00 0.00 54.13 53.37 1fne s LEU 92 Cb -0.17 1.34 -0.07 0.00 -0.56 0.00 0.00 46.19 46.74 1fne s LEU 92 CO 0.05 -0.80 0.69 -0.94 -1.06 0.00 0.00 176.35 174.29 1fne s SER 93 N -2.86 6.57 0.19 1.48 1.04 -1.26 0.21 113.70 119.07 1fne s SER 93 Ca 0.06 1.05 -0.00 0.00 0.48 0.00 0.00 55.95 57.54 1fne s SER 93 Cb 0.04 -2.29 0.11 0.00 0.10 0.00 0.00 66.02 63.98 1fne s SER 93 CO -0.10 -0.28 1.47 -0.09 0.98 0.00 0.00 173.24 175.22 1fne h ARG 94 N 1.69 0.38 -4.74 4.02 2.43 -1.02 -3.46 114.38 113.68 1fne h ARG 94 Ca -0.47 -0.29 -0.28 0.00 -0.81 0.00 0.00 59.98 58.12 1fne h ARG 94 Cb 1.18 0.05 -0.15 0.00 -0.42 0.00 0.00 29.97 30.64 1fne h ARG 94 CO 0.65 0.92 -0.64 -1.12 -1.51 0.00 0.00 179.97 178.27 1fne s SER 95 N -6.95 0.95 0.25 -3.80 0.01 -1.26 -5.05 113.70 97.85 1fne s SER 95 Ca -0.05 -1.27 -0.31 0.00 1.31 0.00 0.00 55.95 55.63 1fne s SER 95 Cb 0.11 0.19 -0.13 0.00 0.21 0.00 0.00 66.02 66.40 1fne s SER 95 CO 0.83 -0.67 1.42 -2.65 0.41 0.00 0.00 173.24 172.58 1fne n PRO 96 N -0.29 2.11 -3.06 12.44 -0.02 -1.26 -4.91 135.00 140.01 1fne n PRO 96 Ca -0.03 0.75 -0.40 0.00 -2.02 0.00 0.00 63.50 61.80 1fne n PRO 96 Cb 0.65 -2.42 -0.05 0.00 -0.02 0.00 0.00 33.50 31.66 1fne n PRO 96 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1fne s VAL 97 N -0.12 5.01 -0.07 -1.45 1.01 -1.26 -5.06 120.40 118.47 1fne s VAL 97 Ca 0.67 1.35 0.03 0.00 0.00 0.00 0.00 61.98 64.02 1fne s VAL 97 Cb -0.63 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 31.75 1fne s VAL 97 CO 0.50 0.15 -0.15 0.20 0.00 0.00 0.00 175.10 175.81 1fne s ASN 98 N 1.02 2.05 0.21 3.32 0.01 -1.26 -4.98 114.94 115.31 1fne s ASN 98 Ca 0.33 -0.35 -0.32 0.00 -0.71 0.00 0.00 52.86 51.81 1fne s ASN 98 Cb -0.17 -0.93 -0.14 0.00 0.41 0.00 0.00 41.25 40.42 1fne s ASN 98 CO 0.13 0.06 1.30 0.18 -1.51 0.00 0.00 177.10 177.27 1fne n LEU 99 N 3.72 2.39 0.00 0.60 4.77 -1.26 -1.49 117.00 125.73 1fne n LEU 99 Ca -0.22 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.90 1fne n LEU 99 Cb 0.52 -1.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.28 1fne n LEU 99 CO 0.26 -0.85 0.00 0.61 -1.33 0.00 0.00 177.39 176.08 1fne n GLY 100 N 2.11 0.77 3.35 -0.72 0.00 -0.69 -4.98 105.19 105.03 1fne n GLY 100 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1fne n GLY 100 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fne s GLU 101 N -0.22 3.38 0.19 1.61 2.02 -0.55 -4.92 118.70 120.21 1fne s GLU 101 Ca 0.00 -0.64 -0.31 0.00 0.02 0.00 0.00 54.97 54.04 1fne s GLU 101 Cb 0.00 -3.19 -0.16 0.00 0.10 0.00 0.00 34.13 30.88 1fne s GLU 101 CO 0.00 -0.26 0.92 -2.30 0.02 0.00 0.00 175.26 173.64 1fne n PRO 102 N 4.85 0.74 -3.49 0.39 -0.02 -1.26 -4.28 135.00 131.93 1fne n PRO 102 Ca -0.17 0.26 -0.12 0.00 -2.02 0.00 0.00 63.50 61.46 1fne n PRO 102 Cb 0.50 -1.58 -0.02 0.00 -0.02 0.00 0.00 33.50 32.38 1fne n PRO 102 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1fne n ASN 103 N 1.75 -1.11 -3.94 2.55 2.85 -0.18 -5.01 115.26 112.18 1fne n ASN 103 Ca 0.15 -2.51 -0.18 0.00 -0.11 0.00 0.00 54.58 51.93 1fne n ASN 103 Cb 0.25 2.06 -0.15 0.00 1.24 0.00 0.00 39.78 43.17 1fne n ASN 103 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1fne s ILE 104 N -2.73 0.52 -0.11 -1.44 1.01 -1.26 -1.34 121.20 115.86 1fne s ILE 104 Ca 0.23 -0.21 -0.07 0.00 0.00 0.00 0.00 60.65 60.61 1fne s ILE 104 Cb -0.01 -0.49 -0.04 0.00 0.01 0.00 0.00 42.46 41.93 1fne s ILE 104 CO 0.16 0.18 0.15 -0.76 0.00 0.00 0.00 174.94 174.67 1fne s LEU 105 N 0.32 4.39 -0.10 2.97 1.43 -0.30 -0.31 118.68 127.07 1fne s LEU 105 Ca -0.04 0.46 0.02 0.00 -1.03 0.00 0.00 54.13 53.54 1fne s LEU 105 Cb -0.08 -2.14 -0.01 0.00 0.03 0.00 0.00 46.19 43.98 1fne s LEU 105 CO -0.00 0.39 -0.16 -0.63 0.23 0.00 0.00 176.35 176.18 1fne s ILE 106 N -1.07 2.78 -0.32 -0.59 1.01 0.13 -1.65 121.20 121.50 1fne s ILE 106 Ca 0.17 -0.78 -0.04 0.00 0.00 0.00 0.00 60.65 60.00 1fne s ILE 106 Cb -0.12 -2.12 0.05 0.00 0.01 0.00 0.00 42.46 40.27 1fne s ILE 106 CO 0.06 0.55 0.05 0.00 0.00 0.00 0.00 174.94 175.59 1fne s PHE 108 N 1.32 3.22 -0.23 0.00 5.36 0.14 -1.21 117.98 126.58 1fne s PHE 108 Ca -0.04 -0.16 -0.07 0.00 -0.96 0.00 0.00 56.93 55.70 1fne s PHE 108 Cb -0.20 -2.43 -0.03 0.00 -0.34 0.00 0.00 43.02 40.02 1fne s PHE 108 CO 0.01 -0.32 0.07 0.42 -1.46 0.00 0.00 175.22 173.94 1fne s ILE 109 N 1.72 4.46 0.13 3.12 1.01 -0.41 -1.14 121.20 130.09 1fne s ILE 109 Ca 0.06 -0.13 0.04 0.00 0.00 0.00 0.00 60.65 60.62 1fne s ILE 109 Cb -0.17 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 1fne s ILE 109 CO 0.10 0.36 -0.10 -0.62 0.00 0.00 0.00 174.94 174.69 1fne s ASP 110 N 1.31 1.63 -1.30 3.58 2.15 0.04 -0.26 116.67 123.83 1fne s ASP 110 Ca 0.05 -0.95 -0.03 0.00 0.43 0.00 0.00 52.55 52.05 1fne s ASP 110 Cb -0.15 0.00 -0.00 0.00 -0.30 0.00 0.00 42.92 42.48 1fne s ASP 110 CO 0.04 -0.32 0.63 0.29 -0.17 0.00 0.00 175.17 175.63 1fne n LYS 111 N 0.05 -3.73 -4.29 4.34 5.02 -0.51 -0.77 118.16 118.26 1fne n LYS 111 Ca -0.12 0.53 -0.16 0.00 -2.02 0.00 0.00 58.31 56.55 1fne n LYS 111 Cb 0.60 -4.83 -0.10 0.00 -0.02 0.00 0.00 35.03 30.68 1fne n LYS 111 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1fne s PHE 112 N -3.73 1.42 -0.18 2.13 -0.71 -0.94 -4.46 117.98 111.51 1fne s PHE 112 Ca 0.09 -0.96 -0.29 0.00 -1.04 0.00 0.00 56.93 54.72 1fne s PHE 112 Cb -0.03 -0.81 0.12 0.00 -1.21 0.00 0.00 43.02 41.10 1fne s PHE 112 CO 0.84 -0.11 1.00 0.45 -1.34 0.00 0.00 175.22 176.06 1fne s SER 113 N -3.25 -0.39 0.96 1.98 0.15 -0.87 -1.12 113.70 111.16 1fne s SER 113 Ca 0.27 0.51 -0.11 0.00 0.70 0.00 0.00 55.95 57.32 1fne s SER 113 Cb 0.06 0.43 0.17 0.00 -1.71 0.00 0.00 66.02 64.97 1fne s SER 113 CO 0.07 -0.31 1.09 -2.16 1.20 0.00 0.00 173.24 173.13 1fne s PRO 114 N -0.81 0.71 -1.22 5.44 0.04 -1.26 0.06 135.00 137.96 1fne s PRO 114 Ca -0.01 1.01 -0.18 0.00 0.04 0.00 0.00 61.00 61.87 1fne s PRO 114 Cb -0.01 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 32.77 1fne s PRO 114 CO 0.00 -2.67 2.05 -0.35 0.04 0.00 0.00 177.00 176.07 1fne n PRO 115 N -4.21 2.41 -3.69 0.56 -0.04 -1.26 -4.79 135.00 123.98 1fne n PRO 115 Ca 0.07 -2.47 -0.12 0.00 -0.04 0.00 0.00 63.50 60.95 1fne n PRO 115 Cb 0.54 -3.25 -0.09 0.00 -0.04 0.00 0.00 33.50 30.66 1fne n PRO 115 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1fne s VAL 116 N 4.47 -0.01 0.03 0.52 -7.23 -1.26 -5.00 120.40 111.92 1fne s VAL 116 Ca 0.53 0.03 -0.24 0.00 -1.81 0.00 0.00 61.98 60.48 1fne s VAL 116 Cb 0.12 -0.71 0.06 0.00 0.56 0.00 0.00 36.38 36.40 1fne s VAL 116 CO 0.01 0.01 0.56 0.68 -0.31 0.00 0.00 175.10 176.05 1fne s VAL 117 N 0.83 0.02 -0.14 1.32 -7.23 -1.26 -4.72 120.40 109.21 1fne s VAL 117 Ca -0.05 -0.17 -0.02 0.00 -1.81 0.00 0.00 61.98 59.94 1fne s VAL 117 Cb -0.05 -0.96 -0.02 0.00 0.56 0.00 0.00 36.38 35.90 1fne s VAL 117 CO -0.07 -0.09 -0.09 0.20 -0.31 0.00 0.00 175.10 174.74 1fne s ASN 118 N -1.79 4.38 -0.01 4.85 0.01 -0.28 -4.98 114.94 117.12 1fne s ASN 118 Ca -0.07 -0.23 0.03 0.00 -0.71 0.00 0.00 52.86 51.89 1fne s ASN 118 Cb -0.01 -1.67 -0.01 0.00 0.41 0.00 0.00 41.25 39.98 1fne s ASN 118 CO 0.01 0.17 -0.11 -0.69 -1.51 0.00 0.00 177.10 174.97 1fne s VAL 119 N 0.31 0.86 -0.02 1.60 1.01 -1.26 -0.88 120.40 122.02 1fne s VAL 119 Ca -0.07 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 61.45 1fne s VAL 119 Cb -0.15 -0.73 0.03 0.00 0.00 0.00 0.00 36.38 35.53 1fne s VAL 119 CO 0.04 0.25 0.03 -0.89 0.00 0.00 0.00 175.10 174.53 1fne s THR 120 N -0.20 -0.02 -0.04 3.92 2.01 0.03 -4.99 115.64 116.34 1fne s THR 120 Ca 0.03 0.21 -0.16 0.00 0.31 0.00 0.00 61.69 62.07 1fne s THR 120 Cb -0.05 -0.12 -0.05 0.00 0.01 0.00 0.00 72.50 72.29 1fne s THR 120 CO -0.00 0.10 0.45 0.26 -0.69 0.00 0.00 174.62 174.74 1fne s TRP 121 N 1.12 3.65 -0.05 4.92 0.52 -1.26 -0.49 118.94 127.35 1fne s TRP 121 Ca -0.08 0.97 0.05 0.00 0.02 0.00 0.00 56.10 57.06 1fne s TRP 121 Cb -0.13 -2.41 -0.01 0.00 -1.15 0.00 0.00 33.47 29.77 1fne s TRP 121 CO -0.03 0.45 -0.21 -0.51 0.02 0.00 0.00 176.95 176.67 1fne s LEU 122 N -0.41 1.99 -0.21 2.99 1.43 -0.00 -0.45 118.68 124.02 1fne s LEU 122 Ca 0.25 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 1fne s LEU 122 Cb -0.16 -1.15 0.02 0.00 0.03 0.00 0.00 46.19 44.93 1fne s LEU 122 CO 0.12 0.20 -0.15 -0.60 0.23 0.00 0.00 176.35 176.15 1fne s ARG 123 N -0.08 2.91 -1.49 1.70 3.52 0.26 -1.56 118.95 124.21 1fne s ARG 123 Ca -0.03 -0.90 -0.12 0.00 -0.13 0.00 0.00 55.73 54.54 1fne s ARG 123 Cb -0.12 -2.73 0.07 0.00 -1.56 0.00 0.00 34.95 30.61 1fne s ARG 123 CO 0.03 -0.29 1.03 0.09 -0.81 0.00 0.00 175.30 175.34 1fne n ASN 124 N 4.62 -5.06 0.00 -2.12 3.02 -0.23 -1.67 115.26 113.81 1fne n ASN 124 Ca -0.19 -0.73 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 1fne n ASN 124 Cb 0.49 -4.15 0.00 0.00 -0.61 0.00 0.00 39.78 35.50 1fne n ASN 124 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fne n GLY 125 N -1.76 1.83 3.46 7.41 0.00 -1.26 -5.03 105.19 109.83 1fne n GLY 125 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1fne n GLY 125 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fne s ARG 126 N -0.08 2.79 0.24 1.61 0.52 -0.67 -5.01 118.95 118.36 1fne s ARG 126 Ca 0.00 -0.68 -0.31 0.00 -0.52 0.00 0.00 55.73 54.22 1fne s ARG 126 Cb 0.00 -2.48 -0.14 0.00 0.52 0.00 0.00 34.95 32.86 1fne s ARG 126 CO 0.00 0.50 1.32 -2.30 0.02 0.00 0.00 175.30 174.84 1fne n PRO 127 N 2.67 1.84 -4.34 3.54 -0.02 -1.26 -0.58 135.00 136.84 1fne n PRO 127 Ca -0.17 0.65 -0.34 0.00 -2.02 0.00 0.00 63.50 61.62 1fne n PRO 127 Cb 0.52 -2.25 -0.13 0.00 -0.02 0.00 0.00 33.50 31.63 1fne n PRO 127 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1fne s VAL 128 N -0.28 3.69 -0.04 -1.45 1.01 0.40 -4.82 120.40 118.91 1fne s VAL 128 Ca 0.67 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.23 1fne s VAL 128 Cb -0.68 -2.62 -0.00 0.00 0.00 0.00 0.00 36.38 33.08 1fne s VAL 128 CO 0.52 0.48 0.24 0.35 0.00 0.00 0.00 175.10 176.69 1fne n THR 129 N 3.83 0.00 -4.46 3.92 -2.24 -1.26 -4.50 114.28 109.57 1fne n THR 129 Ca -0.18 -0.49 -0.31 0.00 -2.27 0.00 0.00 64.05 60.80 1fne n THR 129 Cb 0.52 1.00 -0.11 0.00 -2.10 0.00 0.00 70.33 69.65 1fne n THR 129 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1fne s GLU 130 N -0.60 2.32 -0.50 -0.78 0.41 -1.26 -4.56 118.70 113.73 1fne s GLU 130 Ca 0.00 -0.87 0.00 0.00 -0.41 0.00 0.00 54.97 53.70 1fne s GLU 130 Cb 0.00 -2.37 0.00 0.00 -1.78 0.00 0.00 34.13 29.99 1fne s GLU 130 CO 0.01 0.56 0.00 0.41 -0.49 0.00 0.00 175.26 175.75 1fne n GLY 131 N 1.34 0.17 3.34 -1.39 0.00 -1.26 -4.84 105.19 102.55 1fne n GLY 131 Ca -0.15 -0.66 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 1fne n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1fne s VAL 132 N -2.28 1.87 0.30 1.61 -7.23 -1.26 -0.76 120.40 112.64 1fne s VAL 132 Ca 0.00 -1.97 -0.19 0.00 -1.81 0.00 0.00 61.98 58.01 1fne s VAL 132 Cb 0.00 -1.89 0.02 0.00 0.56 0.00 0.00 36.38 35.07 1fne s VAL 132 CO 0.00 -0.33 0.71 -0.94 -0.31 0.00 0.00 175.10 174.23 1fne s SER 133 N -2.75 -0.17 0.20 4.85 1.04 -0.89 -4.99 113.70 110.99 1fne s SER 133 Ca 0.17 -0.76 -0.17 0.00 0.48 0.00 0.00 55.95 55.67 1fne s SER 133 Cb -0.05 0.74 0.03 0.00 0.10 0.00 0.00 66.02 66.83 1fne s SER 133 CO 0.07 -1.39 0.53 -1.83 0.98 0.00 0.00 173.24 171.60 1fne s GLU 134 N -3.61 1.41 0.47 4.02 -1.05 -1.26 -0.38 118.70 118.31 1fne s GLU 134 Ca 0.13 -0.89 0.08 0.00 -0.15 0.00 0.00 54.97 54.14 1fne s GLU 134 Cb -0.05 0.52 0.03 0.00 -0.44 0.00 0.00 34.13 34.19 1fne s GLU 134 CO 0.08 -0.60 0.57 0.95 0.95 0.00 0.00 175.26 177.21 1fne s THR 135 N -3.88 2.54 0.29 1.83 -4.23 -0.52 -5.01 115.64 106.67 1fne s THR 135 Ca 0.10 -1.13 -0.03 0.00 -1.18 0.00 0.00 61.69 59.44 1fne s THR 135 Cb -0.01 -2.68 0.06 0.00 1.34 0.00 0.00 72.50 71.22 1fne s THR 135 CO -0.02 0.00 0.40 1.33 -0.54 0.00 0.00 174.62 175.79 1fne n VAL 136 N -1.88 0.00 -2.56 2.29 0.24 -1.26 -4.71 118.33 110.45 1fne n VAL 136 Ca 0.08 -0.40 -0.43 0.00 -2.04 0.00 0.00 64.34 61.55 1fne n VAL 136 Cb 0.61 -1.59 -0.02 0.00 -1.47 0.00 0.00 33.84 31.36 1fne n VAL 136 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1fne s PHE 137 N -1.54 3.09 0.01 6.34 0.40 -1.26 -4.66 117.98 120.37 1fne s PHE 137 Ca 0.24 1.22 -0.12 0.00 -0.60 0.00 0.00 56.93 57.67 1fne s PHE 137 Cb -0.01 -3.49 -0.05 0.00 0.51 0.00 0.00 43.02 39.98 1fne s PHE 137 CO 0.16 -1.02 0.37 -0.51 0.70 0.00 0.00 175.22 174.93 1fne s LEU 138 N 3.50 4.42 0.54 -0.37 1.43 0.64 -4.92 118.68 123.91 1fne s LEU 138 Ca 0.49 0.83 -0.19 0.00 -1.03 0.00 0.00 54.13 54.22 1fne s LEU 138 Cb -0.16 -2.67 -0.06 0.00 0.03 0.00 0.00 46.19 43.33 1fne s LEU 138 CO 0.12 0.28 1.11 -2.16 0.23 0.00 0.00 176.35 175.93 1fne s PRO 139 N -1.39 3.43 0.33 1.29 0.04 -1.26 -1.67 135.00 135.76 1fne s PRO 139 Ca 0.26 1.53 0.02 0.00 0.04 0.00 0.00 61.00 62.85 1fne s PRO 139 Cb -0.15 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.38 1fne s PRO 139 CO 0.14 -0.77 0.15 0.54 0.04 0.00 0.00 177.00 177.09 1fne n ARG 140 N -1.30 1.10 0.16 4.56 1.74 -1.15 -4.80 116.66 116.96 1fne n ARG 140 Ca 0.11 -2.19 0.02 0.00 -0.77 0.00 0.00 57.85 55.02 1fne n ARG 140 Cb 0.51 0.39 0.21 0.00 -1.02 0.00 0.00 32.46 32.55 1fne n ARG 140 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1fne h ASP 141 N 0.55 0.00 0.00 0.55 5.19 -1.98 -3.45 116.42 117.28 1fne h ASP 141 Ca -0.23 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.18 1fne h ASP 141 Cb 0.78 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.29 1fne h ASP 141 CO 0.38 0.52 0.00 -0.90 -3.12 0.00 0.00 179.24 176.12 1fne n ASP 142 N -3.56 0.00 -0.89 6.45 5.68 -1.26 -5.00 116.55 117.97 1fne n ASP 142 Ca -0.00 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.41 1fne n ASP 142 Cb 0.61 0.00 0.25 0.00 -1.14 0.00 0.00 41.12 40.84 1fne n ASP 142 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1fne n HIS 143 N 0.00 0.23 -3.01 2.11 1.44 -1.26 -4.98 115.22 109.75 1fne n HIS 143 Ca 0.00 -0.12 -0.18 0.00 -2.01 0.00 0.00 57.72 55.41 1fne n HIS 143 Cb 0.00 0.00 0.03 0.00 0.12 0.00 0.00 29.99 30.14 1fne n HIS 143 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1fne s LEU 144 N -1.72 3.50 0.33 2.39 1.43 -1.26 -4.97 118.68 118.38 1fne s LEU 144 Ca 0.34 -0.53 0.10 0.00 -1.03 0.00 0.00 54.13 53.01 1fne s LEU 144 Cb 0.21 -2.38 -0.06 0.00 0.03 0.00 0.00 46.19 43.98 1fne s LEU 144 CO 0.30 -0.93 -0.11 -0.36 0.23 0.00 0.00 176.35 175.48 1fne s PHE 145 N -2.45 2.35 0.13 0.29 0.40 -0.27 -2.93 117.98 115.50 1fne s PHE 145 Ca 0.57 -0.49 -0.01 0.00 -0.60 0.00 0.00 56.93 56.40 1fne s PHE 145 Cb -0.09 -1.31 -0.04 0.00 0.51 0.00 0.00 43.02 42.10 1fne s PHE 145 CO 0.35 0.58 0.06 -0.98 0.70 0.00 0.00 175.22 175.93 1fne s ARG 146 N -3.60 0.92 0.05 0.44 1.70 -0.67 -1.43 118.95 116.36 1fne s ARG 146 Ca 0.32 -1.42 -0.26 0.00 -0.47 0.00 0.00 55.73 53.90 1fne s ARG 146 Cb 0.02 0.24 0.07 0.00 -0.57 0.00 0.00 34.95 34.71 1fne s ARG 146 CO 0.16 -0.26 0.62 0.21 -1.08 0.00 0.00 175.30 174.95 1fne s LYS 147 N -4.04 1.14 -0.04 3.89 2.20 0.65 -0.26 119.74 123.28 1fne s LYS 147 Ca 0.23 -0.13 0.05 0.00 -0.36 0.00 0.00 55.97 55.76 1fne s LYS 147 Cb 0.07 0.53 -0.01 0.00 -1.51 0.00 0.00 37.83 36.92 1fne s LYS 147 CO 0.01 -0.43 -0.19 -0.06 -0.36 0.00 0.00 175.35 174.32 1fne s PHE 148 N -2.46 1.84 -0.00 4.03 0.08 -1.26 -1.29 117.98 118.91 1fne s PHE 148 Ca -0.05 -0.49 0.07 0.00 0.12 0.00 0.00 56.93 56.58 1fne s PHE 148 Cb -0.01 -1.22 -0.02 0.00 -0.57 0.00 0.00 43.02 41.21 1fne s PHE 148 CO -0.01 -0.14 -0.22 -1.01 -0.10 0.00 0.00 175.22 173.74 1fne s HIS 149 N -0.13 1.95 0.10 0.36 3.76 -0.35 -1.43 115.29 119.55 1fne s HIS 149 Ca -0.01 -0.37 0.08 0.00 -0.15 0.00 0.00 55.06 54.61 1fne s HIS 149 Cb -0.11 -1.24 -0.04 0.00 1.11 0.00 0.00 32.58 32.31 1fne s HIS 149 CO 0.02 -0.01 -0.21 0.71 -0.85 0.00 0.00 174.74 174.40 1fne s TYR 150 N -0.57 1.79 -0.07 1.40 2.02 0.49 -0.54 117.35 121.88 1fne s TYR 150 Ca 0.08 -0.42 -0.03 0.00 -0.37 0.00 0.00 57.07 56.34 1fne s TYR 150 Cb -0.09 -0.98 0.04 0.00 -0.40 0.00 0.00 41.96 40.54 1fne s TYR 150 CO -0.00 0.21 0.11 -1.17 -1.57 0.00 0.00 175.55 173.12 1fne s LEU 151 N -1.94 0.05 0.13 -1.29 2.96 -0.66 -2.09 118.68 115.85 1fne s LEU 151 Ca 0.07 0.15 -0.30 0.00 -0.22 0.00 0.00 54.13 53.82 1fne s LEU 151 Cb -0.10 0.04 -0.07 0.00 0.50 0.00 0.00 46.19 46.56 1fne s LEU 151 CO 0.04 -0.25 1.09 -0.89 -1.32 0.00 0.00 176.35 175.02 1fne s THR 152 N 2.22 4.07 0.19 3.68 2.01 0.06 -1.15 115.64 126.72 1fne s THR 152 Ca 0.04 1.67 -0.10 0.00 0.31 0.00 0.00 61.69 63.62 1fne s THR 152 Cb -0.12 -4.07 -0.01 0.00 0.01 0.00 0.00 72.50 68.31 1fne s THR 152 CO -0.05 0.24 0.34 0.72 -0.69 0.00 0.00 174.62 175.18 1fne s PHE 153 N 0.19 0.40 -0.32 4.92 -0.71 -0.45 -4.95 117.98 117.06 1fne s PHE 153 Ca 0.51 -0.75 0.00 0.00 -1.04 0.00 0.00 56.93 55.65 1fne s PHE 153 Cb -0.28 0.00 0.07 0.00 -1.21 0.00 0.00 43.02 41.61 1fne s PHE 153 CO 0.32 -0.79 0.02 -1.17 -1.34 0.00 0.00 175.22 172.26 1fne s LEU 154 N -2.99 4.22 0.07 -1.99 2.96 -1.26 -1.01 118.68 118.69 1fne s LEU 154 Ca 0.19 -1.63 -0.36 0.00 -0.22 0.00 0.00 54.13 52.12 1fne s LEU 154 Cb 0.02 -1.68 -0.16 0.00 0.50 0.00 0.00 46.19 44.87 1fne s LEU 154 CO 0.03 -0.32 1.42 -2.65 -1.32 0.00 0.00 176.35 173.51 1fne n PRO 155 N 4.49 1.37 -3.60 0.98 -0.02 -1.26 -4.84 135.00 132.12 1fne n PRO 155 Ca -0.08 0.49 -0.16 0.00 -2.02 0.00 0.00 63.50 61.73 1fne n PRO 155 Cb 0.42 -2.17 -0.07 0.00 -0.02 0.00 0.00 33.50 31.66 1fne n PRO 155 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1fne s SER 156 N 0.83 -0.52 0.00 2.55 0.15 -1.26 -1.70 113.70 113.75 1fne s SER 156 Ca 0.84 0.58 0.30 0.00 0.70 0.00 0.00 55.95 58.38 1fne s SER 156 Cb -0.90 0.54 1.49 0.00 -1.71 0.00 0.00 66.02 65.43 1fne s SER 156 CO 0.46 -0.53 2.04 0.35 1.20 0.00 0.00 173.24 176.76 1fne n THR 157 N 1.18 0.01 1.23 6.45 -2.24 -1.26 -3.26 114.28 116.39 1fne n THR 157 Ca -0.19 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.72 1fne n THR 157 Cb 0.57 -0.51 0.34 0.00 -2.10 0.00 0.00 70.33 68.63 1fne n THR 157 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1fne n ASP 158 N -1.31 1.24 -4.65 3.42 8.00 -1.26 -4.94 116.55 117.06 1fne n ASP 158 Ca 0.14 -1.06 -0.23 0.00 0.71 0.00 0.00 54.79 54.35 1fne n ASP 158 Cb 0.25 0.17 -0.07 0.00 -0.02 0.00 0.00 41.12 41.44 1fne n ASP 158 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1fne s ASP 159 N -2.44 4.44 0.00 -2.24 1.01 -1.20 -5.03 116.67 111.21 1fne s ASP 159 Ca 0.25 -0.77 -0.12 0.00 0.71 0.00 0.00 52.55 52.62 1fne s ASP 159 Cb 0.19 -0.72 0.01 0.00 1.01 0.00 0.00 42.92 43.41 1fne s ASP 159 CO 0.50 -0.11 0.25 0.72 0.21 0.00 0.00 175.17 176.74 1fne s PHE 160 N -2.40 -0.08 0.12 4.23 -0.71 -1.26 -4.57 117.98 113.32 1fne s PHE 160 Ca 0.33 0.05 0.05 0.00 -1.04 0.00 0.00 56.93 56.33 1fne s PHE 160 Cb -0.04 0.04 -0.04 0.00 -1.21 0.00 0.00 43.02 41.77 1fne s PHE 160 CO 0.20 -0.38 -0.13 0.71 -1.34 0.00 0.00 175.22 174.28 1fne s TYR 161 N -1.64 1.34 0.02 3.49 1.51 0.54 -1.07 117.35 121.54 1fne s TYR 161 Ca -0.12 -0.59 0.01 0.00 -1.01 0.00 0.00 57.07 55.36 1fne s TYR 161 Cb -0.05 -0.70 -0.02 0.00 -0.11 0.00 0.00 41.96 41.08 1fne s TYR 161 CO 0.02 0.12 -0.04 -0.51 -1.11 0.00 0.00 175.55 174.03 1fne s ASP 162 N -2.55 0.43 -0.26 2.29 1.01 -0.60 0.06 116.67 117.06 1fne s ASP 162 Ca 0.10 -0.43 0.00 0.00 0.71 0.00 0.00 52.55 52.93 1fne s ASP 162 Cb -0.04 0.06 0.05 0.00 1.01 0.00 0.00 42.92 44.00 1fne s ASP 162 CO 0.02 -0.21 -0.08 0.00 0.21 0.00 0.00 175.17 175.12 1fne s GLU 164 N 1.21 4.03 -0.09 0.00 2.12 0.35 -0.87 118.70 125.45 1fne s GLU 164 Ca -0.05 -0.29 0.03 0.00 0.36 0.00 0.00 54.97 55.02 1fne s GLU 164 Cb -0.18 -3.50 0.01 0.00 0.26 0.00 0.00 34.13 30.71 1fne s GLU 164 CO -0.05 0.05 -0.19 0.08 -0.54 0.00 0.00 175.26 174.62 1fne s VAL 165 N 1.07 1.67 -0.02 3.70 1.01 0.88 -0.79 120.40 127.91 1fne s VAL 165 Ca 0.07 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.33 1fne s VAL 165 Cb -0.14 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 1fne s VAL 165 CO 0.04 0.47 -0.22 -0.62 0.00 0.00 0.00 175.10 174.78 1fne s ASP 166 N 0.52 2.55 -0.03 3.32 2.15 -0.05 -0.26 116.67 124.87 1fne s ASP 166 Ca -0.16 -0.40 -0.10 0.00 0.43 0.00 0.00 52.55 52.32 1fne s ASP 166 Cb -0.17 -0.35 0.02 0.00 -0.30 0.00 0.00 42.92 42.12 1fne s ASP 166 CO 0.06 0.26 0.22 -2.28 -0.17 0.00 0.00 175.17 173.26 1fne s HIS 167 N -0.44 -0.13 0.21 -5.34 5.65 -1.26 -1.13 115.29 112.86 1fne s HIS 167 Ca 0.07 0.25 0.21 0.00 0.25 0.00 0.00 55.06 55.84 1fne s HIS 167 Cb -0.09 0.04 1.15 0.00 -1.18 0.00 0.00 32.58 32.50 1fne s HIS 167 CO -0.00 -0.26 1.60 -1.49 -0.65 0.00 0.00 174.74 173.93 1fne h TRP 168 N 4.69 0.00 -0.01 3.88 4.06 -1.96 0.13 115.95 126.75 1fne h TRP 168 Ca -0.29 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.66 1fne h TRP 168 Cb 1.19 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.35 1fne h TRP 168 CO 0.51 0.00 -0.25 0.41 -3.56 0.00 0.00 178.44 175.55 1fne n GLY 169 N -1.25 -0.58 3.88 1.49 0.00 -1.26 -4.89 105.19 102.58 1fne n GLY 169 Ca -0.01 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.23 1fne n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fne s LEU 170 N -2.48 4.39 0.12 0.99 1.43 0.46 -4.30 118.68 119.29 1fne s LEU 170 Ca 0.25 0.47 -0.15 0.00 -1.03 0.00 0.00 54.13 53.66 1fne s LEU 170 Cb 0.19 -2.16 -0.02 0.00 0.03 0.00 0.00 46.19 44.23 1fne s LEU 170 CO 0.51 0.39 1.61 -0.33 0.23 0.00 0.00 176.35 178.76 1fne h GLU 171 N 4.80 0.64 -3.69 1.70 5.08 -1.90 -3.46 114.58 117.76 1fne h GLU 171 Ca -0.54 -0.17 -0.12 0.00 -1.00 0.00 0.00 59.36 57.53 1fne h GLU 171 Cb 1.22 -0.08 -0.18 0.00 0.50 0.00 0.00 28.75 30.22 1fne h GLU 171 CO 0.60 0.69 -0.47 -1.83 -1.00 0.00 0.00 179.01 177.00 1fne s GLU 172 N -5.20 0.62 0.50 2.33 -1.05 -1.26 -5.14 118.70 109.50 1fne s GLU 172 Ca -0.13 -0.68 -0.20 0.00 -0.15 0.00 0.00 54.97 53.81 1fne s GLU 172 Cb 0.10 0.25 -0.11 0.00 -0.44 0.00 0.00 34.13 33.93 1fne s GLU 172 CO 0.77 -0.16 0.48 -2.30 0.95 0.00 0.00 175.26 175.00 1fne n PRO 173 N 0.79 0.51 -3.74 -4.83 -0.02 -1.26 -4.95 135.00 121.51 1fne n PRO 173 Ca -0.19 0.19 -0.37 0.00 -2.02 0.00 0.00 63.50 61.11 1fne n PRO 173 Cb 0.58 -1.57 -0.12 0.00 -0.02 0.00 0.00 33.50 32.37 1fne n PRO 173 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1fne s LEU 174 N 1.50 3.59 -0.43 2.45 2.96 0.65 -4.93 118.68 124.47 1fne s LEU 174 Ca 0.65 -0.31 -0.09 0.00 -0.22 0.00 0.00 54.13 54.17 1fne s LEU 174 Cb -0.51 -1.93 0.09 0.00 0.50 0.00 0.00 46.19 44.34 1fne s LEU 174 CO 0.57 -0.08 0.27 -0.60 -1.32 0.00 0.00 176.35 175.19 1fne s ARG 175 N 1.60 2.52 -0.16 1.98 3.52 -1.26 -0.08 118.95 127.08 1fne s ARG 175 Ca 0.06 -1.56 -0.19 0.00 -0.13 0.00 0.00 55.73 53.91 1fne s ARG 175 Cb -0.16 -3.79 -0.03 0.00 -1.56 0.00 0.00 34.95 29.41 1fne s ARG 175 CO 0.04 -1.01 0.55 0.15 -0.81 0.00 0.00 175.30 174.22 1fne s LYS 176 N 1.38 4.27 0.04 5.12 -0.14 -0.05 -4.89 119.74 125.47 1fne s LYS 176 Ca 0.04 0.53 -0.12 0.00 -1.36 0.00 0.00 55.97 55.05 1fne s LYS 176 Cb -0.24 -3.51 -0.06 0.00 -1.68 0.00 0.00 37.83 32.35 1fne s LYS 176 CO 0.01 -0.04 0.40 -1.58 -0.76 0.00 0.00 175.35 173.38 1fne s HIS 177 N 1.27 3.66 -0.02 3.18 5.65 -1.26 -0.81 115.29 126.95 1fne s HIS 177 Ca 0.27 0.89 -0.01 0.00 0.25 0.00 0.00 55.06 56.47 1fne s HIS 177 Cb -0.16 -2.22 0.02 0.00 -1.18 0.00 0.00 32.58 29.04 1fne s HIS 177 CO 0.11 0.58 0.04 -0.46 -0.65 0.00 0.00 174.74 174.37 1fne s TRP 178 N -1.23 -0.03 -0.04 3.88 -0.00 0.11 -4.92 118.94 116.71 1fne s TRP 178 Ca 0.28 0.15 -0.07 0.00 -0.00 0.00 0.00 56.10 56.46 1fne s TRP 178 Cb -0.15 -0.09 0.01 0.00 -0.00 0.00 0.00 33.47 33.24 1fne s TRP 178 CO 0.15 -0.06 0.17 -1.83 -0.00 0.00 0.00 176.95 175.38 1fne s GLU 179 N 0.54 0.32 0.34 5.86 -1.05 -1.26 -0.34 118.70 123.10 1fne s GLU 179 Ca -0.04 0.01 -0.28 0.00 -0.15 0.00 0.00 54.97 54.51 1fne s GLU 179 Cb -0.06 0.14 -0.12 0.00 -0.44 0.00 0.00 34.13 33.64 1fne s GLU 179 CO -0.02 -0.06 1.23 0.34 0.95 0.00 0.00 175.26 177.71 1fne n PHE 180 N 2.40 2.07 -3.32 4.83 7.35 -1.26 -4.98 117.46 124.56 1fne n PHE 180 Ca -0.16 0.58 -0.11 0.00 -0.76 0.00 0.00 57.45 56.99 1fne n PHE 180 Cb 0.58 -2.38 -0.06 0.00 0.35 0.00 0.00 39.48 37.97 1fne n PHE 180 CO 0.00 0.00 0.00 -1.83 -0.76 0.00 0.00 176.76 174.17 1fne s GLU 181 N -1.84 0.64 0.00 -4.13 -1.05 -1.26 -5.05 118.70 106.00 1fne s GLU 181 Ca 0.56 -0.53 0.00 0.00 -0.15 0.00 0.00 54.97 54.85 1fne s GLU 181 Cb -0.59 -0.46 0.00 0.00 -0.44 0.00 0.00 34.13 32.64 1fne s GLU 181 CO 0.62 -1.16 0.36 -0.85 0.95 0.00 0.00 175.26 175.18