#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 -0.06 -0.57 9.51 2.20 -1.26 -5.11 119.74 124.45 1fne s LYS 2 Ca 0.00 0.37 -0.17 0.00 -0.36 0.00 0.00 55.97 55.82 1fne s LYS 2 Cb 0.00 -0.56 0.13 0.00 -1.51 0.00 0.00 37.83 35.89 1fne s LYS 2 CO 0.00 -0.35 0.56 -1.21 -0.36 0.00 0.00 175.35 174.00 1fne s GLU 3 N 2.18 3.04 -0.26 4.03 0.41 -1.26 -5.04 118.70 121.80 1fne s GLU 3 Ca 0.05 -1.67 -0.15 0.00 -0.41 0.00 0.00 54.97 52.79 1fne s GLU 3 Cb -0.12 -4.31 -0.04 0.00 -1.78 0.00 0.00 34.13 27.88 1fne s GLU 3 CO -0.04 -1.38 0.37 -1.21 -0.49 0.00 0.00 175.26 172.52 1fne s GLU 4 N 1.75 4.03 0.21 1.61 2.02 -1.26 -5.05 118.70 122.01 1fne s GLU 4 Ca 0.06 0.05 -0.11 0.00 0.02 0.00 0.00 54.97 54.98 1fne s GLU 4 Cb -0.27 -3.64 -0.00 0.00 0.10 0.00 0.00 34.13 30.31 1fne s GLU 4 CO 0.03 -0.25 0.39 -1.01 0.02 0.00 0.00 175.26 174.44 1fne s HIS 5 N 1.99 0.37 -0.08 1.61 3.76 -1.26 -5.08 115.29 116.59 1fne s HIS 5 Ca 0.15 -0.72 -0.04 0.00 -0.15 0.00 0.00 55.06 54.30 1fne s HIS 5 Cb -0.16 0.07 0.04 0.00 1.11 0.00 0.00 32.58 33.65 1fne s HIS 5 CO 0.10 -0.86 0.19 0.99 -0.85 0.00 0.00 174.74 174.31 1fne s THR 6 N -3.99 -0.04 -0.08 1.30 2.01 -1.26 -5.00 115.64 108.57 1fne s THR 6 Ca 0.20 0.16 0.03 0.00 0.31 0.00 0.00 61.69 62.39 1fne s THR 6 Cb 0.01 -0.30 -0.02 0.00 0.01 0.00 0.00 72.50 72.21 1fne s THR 6 CO 0.04 0.07 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.24 1fne s ILE 7 N 1.18 2.81 -0.05 1.82 1.01 -1.26 -0.44 121.20 126.27 1fne s ILE 7 Ca -0.09 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.79 1fne s ILE 7 Cb -0.11 -2.11 0.01 0.00 0.01 0.00 0.00 42.46 40.26 1fne s ILE 7 CO -0.07 0.56 -0.09 -0.63 0.00 0.00 0.00 174.94 174.71 1fne s ILE 8 N -0.22 0.86 -0.31 2.92 1.01 0.10 -4.95 121.20 120.61 1fne s ILE 8 Ca 0.00 -0.35 -0.12 0.00 0.00 0.00 0.00 60.65 60.18 1fne s ILE 8 Cb -0.13 -0.79 -0.03 0.00 0.01 0.00 0.00 42.46 41.51 1fne s ILE 8 CO 0.03 0.28 0.23 -1.58 0.00 0.00 0.00 174.94 173.91 1fne s GLN 9 N 0.56 3.76 -0.10 2.79 0.74 -1.26 -0.20 119.66 125.95 1fne s GLN 9 Ca -0.10 -0.42 0.03 0.00 0.05 0.00 0.00 55.36 54.92 1fne s GLN 9 Cb -0.13 -3.72 -0.01 0.00 1.10 0.00 0.00 33.01 30.25 1fne s GLN 9 CO 0.02 -0.31 -0.20 0.00 -0.55 0.00 0.00 175.29 174.25 1fne s ALA 10 N 1.79 2.34 -0.03 1.58 0.00 0.24 -4.99 121.76 122.68 1fne s ALA 10 Ca 0.08 -0.96 -0.16 0.00 0.00 0.00 0.00 51.96 50.92 1fne s ALA 10 Cb -0.17 -0.92 0.03 0.00 0.00 0.00 0.00 23.12 22.06 1fne s ALA 10 CO 0.11 0.31 0.35 -1.83 0.00 0.00 0.00 175.76 174.70 1fne s GLU 11 N 0.20 0.68 0.21 0.00 -1.05 -1.26 -0.82 118.70 116.65 1fne s GLU 11 Ca -0.12 -0.08 -0.19 0.00 -0.15 0.00 0.00 54.97 54.43 1fne s GLU 11 Cb -0.16 0.30 0.03 0.00 -0.44 0.00 0.00 34.13 33.86 1fne s GLU 11 CO 0.07 -0.18 0.57 -0.59 0.95 0.00 0.00 175.26 176.07 1fne s PHE 12 N -1.15 -0.19 -0.03 4.83 -0.12 -0.43 -4.96 117.98 115.93 1fne s PHE 12 Ca -0.12 -0.16 0.01 0.00 -0.05 0.00 0.00 56.93 56.61 1fne s PHE 12 Cb -0.04 0.47 0.03 0.00 -0.63 0.00 0.00 43.02 42.84 1fne s PHE 12 CO 0.04 -0.97 -0.01 -0.47 -0.05 0.00 0.00 175.22 173.77 1fne s TYR 13 N -3.87 0.42 -0.05 3.49 5.04 -1.26 -1.31 117.35 119.82 1fne s TYR 13 Ca 0.09 -0.05 0.06 0.00 -2.44 0.00 0.00 57.07 54.73 1fne s TYR 13 Cb -0.02 -0.47 -0.01 0.00 0.35 0.00 0.00 41.96 41.81 1fne s TYR 13 CO -0.02 -0.14 -0.25 -1.17 -1.34 0.00 0.00 175.55 172.63 1fne s LEU 14 N 0.96 2.10 0.17 6.97 2.96 0.11 -4.97 118.68 126.98 1fne s LEU 14 Ca -0.10 -0.49 0.10 0.00 -0.22 0.00 0.00 54.13 53.41 1fne s LEU 14 Cb -0.14 -1.37 -0.04 0.00 0.50 0.00 0.00 46.19 45.14 1fne s LEU 14 CO -0.01 0.27 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.32 1fne s LEU 15 N -0.30 2.43 0.00 -0.68 1.43 -1.26 -0.09 118.68 120.22 1fne s LEU 15 Ca 0.01 -0.86 0.31 0.00 -1.03 0.00 0.00 54.13 52.55 1fne s LEU 15 Cb -0.13 -0.95 1.59 0.00 0.03 0.00 0.00 46.19 46.73 1fne s LEU 15 CO 0.02 0.02 2.08 -0.81 0.23 0.00 0.00 176.35 177.90 1fne n PRO 16 N 0.29 0.55 0.13 1.29 -0.04 -1.26 -4.84 135.00 131.13 1fne n PRO 16 Ca -0.13 -0.01 0.17 0.00 -0.04 0.00 0.00 63.50 63.49 1fne n PRO 16 Cb 0.57 -1.50 0.73 0.00 -0.04 0.00 0.00 33.50 33.26 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 0.03 0.00 -5.01 3.54 5.19 -2.03 -3.46 116.42 114.67 1fne h ASP 17 Ca 0.00 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.16 1fne h ASP 17 Cb 0.23 0.00 0.15 0.00 0.18 0.00 0.00 39.33 39.89 1fne h ASP 17 CO 0.00 0.00 -0.66 0.29 -3.12 0.00 0.00 179.24 175.75 1fne n LYS 18 N -4.17 -4.22 -4.55 3.56 5.02 0.88 -5.03 118.16 109.65 1fne n LYS 18 Ca 0.04 0.71 -0.23 0.00 -2.02 0.00 0.00 58.31 56.81 1fne n LYS 18 Cb 0.40 -5.21 -0.14 0.00 -0.02 0.00 0.00 35.03 30.06 1fne n LYS 18 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1fne s ARG 19 N -4.78 1.21 0.38 1.97 1.70 -0.83 -4.95 118.95 113.64 1fne s ARG 19 Ca 0.13 -0.81 0.03 0.00 -0.47 0.00 0.00 55.73 54.61 1fne s ARG 19 Cb -0.02 -1.26 -0.04 0.00 -0.57 0.00 0.00 34.95 33.07 1fne s ARG 19 CO 0.61 0.32 0.09 0.20 -1.08 0.00 0.00 175.30 175.44 1fne s GLY 20 N -1.04 2.39 -0.19 3.88 0.00 -1.26 0.05 107.32 111.15 1fne s GLY 20 Ca 0.05 -1.53 -0.27 0.00 0.00 0.00 0.00 44.72 42.97 1fne s GLY 20 CO 0.01 -1.83 0.73 1.85 0.00 0.00 0.00 173.10 173.85 1fne s GLU 21 N -3.80 0.89 -0.06 2.90 2.12 -0.43 -4.94 118.70 115.39 1fne s GLU 21 Ca 0.28 0.70 -0.03 0.00 0.36 0.00 0.00 54.97 56.29 1fne s GLU 21 Cb 0.05 0.43 0.04 0.00 0.26 0.00 0.00 34.13 34.91 1fne s GLU 21 CO 0.14 -0.18 0.11 0.12 -0.54 0.00 0.00 175.26 174.91 1fne s PHE 22 N -0.21 -0.05 0.16 5.30 2.19 -1.26 -1.32 117.98 122.78 1fne s PHE 22 Ca -0.04 0.42 -0.11 0.00 0.33 0.00 0.00 56.93 57.53 1fne s PHE 22 Cb -0.03 -0.36 0.00 0.00 -1.31 0.00 0.00 43.02 41.32 1fne s PHE 22 CO 0.04 -0.22 0.32 0.00 1.83 0.00 0.00 175.22 177.19 1fne s MET 23 N 2.16 1.14 0.00 10.12 0.23 -0.00 -1.34 119.30 131.61 1fne s MET 23 Ca 0.03 -1.05 0.07 0.00 -1.03 0.00 0.00 55.69 53.71 1fne s MET 23 Cb -0.12 0.40 -0.03 0.00 -1.53 0.00 0.00 34.83 33.56 1fne s MET 23 CO -0.04 -0.43 -0.22 -0.06 -2.03 0.00 0.00 175.02 172.24 1fne s PHE 24 N -3.92 2.45 0.03 3.16 0.40 -0.63 -0.59 117.98 118.87 1fne s PHE 24 Ca 0.13 -0.34 0.08 0.00 -0.60 0.00 0.00 56.93 56.19 1fne s PHE 24 Cb 0.03 -1.49 -0.02 0.00 0.51 0.00 0.00 43.02 42.04 1fne s PHE 24 CO -0.03 0.10 -0.22 0.34 0.70 0.00 0.00 175.22 176.11 1fne s ASP 25 N -0.95 2.67 -0.14 1.36 -1.08 0.73 -0.42 116.67 118.84 1fne s ASP 25 Ca 0.12 -0.51 -0.01 0.00 -0.52 0.00 0.00 52.55 51.63 1fne s ASP 25 Cb -0.10 -0.25 0.04 0.00 -1.46 0.00 0.00 42.92 41.15 1fne s ASP 25 CO 0.01 0.21 -0.05 0.12 0.52 0.00 0.00 175.17 175.98 1fne s PHE 26 N -0.73 1.54 -0.93 -5.34 2.19 0.14 -0.72 117.98 114.12 1fne s PHE 26 Ca 0.09 -0.90 -0.06 0.00 0.33 0.00 0.00 56.93 56.39 1fne s PHE 26 Cb -0.09 -1.24 0.05 0.00 -1.31 0.00 0.00 43.02 40.43 1fne s PHE 26 CO 0.01 -0.56 0.25 -0.25 1.83 0.00 0.00 175.22 176.50 1fne n ASP 27 N 4.92 -2.75 0.00 6.13 8.00 0.41 -0.82 116.55 132.45 1fne n ASP 27 Ca -0.12 -0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.28 1fne n ASP 27 Cb 0.49 -2.36 0.00 0.00 -0.02 0.00 0.00 41.12 39.23 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 -0.88 0.10 3.54 0.44 0.00 -1.26 -5.03 105.19 102.09 1fne n GLY 28 Ca -0.02 0.00 -0.32 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 -2.19 4.29 0.06 1.61 1.01 0.00 -5.04 116.67 116.40 1fne s ASP 29 Ca 0.00 -0.23 -0.31 0.00 0.71 0.00 0.00 52.55 52.72 1fne s ASP 29 Cb 0.00 -0.91 -0.07 0.00 1.01 0.00 0.00 42.92 42.96 1fne s ASP 29 CO 0.00 0.29 1.42 -0.70 0.21 0.00 0.00 175.17 176.38 1fne s GLU 30 N -1.30 4.29 -0.16 8.23 2.12 -1.26 0.23 118.70 130.86 1fne s GLU 30 Ca 0.15 2.04 -0.24 0.00 0.36 0.00 0.00 54.97 57.29 1fne s GLU 30 Cb -0.11 -3.43 -0.24 0.00 0.26 0.00 0.00 34.13 30.61 1fne s GLU 30 CO 0.06 -0.52 0.53 0.82 -0.54 0.00 0.00 175.26 175.60 1fne h ILE 31 N 4.62 1.32 -2.26 -3.70 2.04 -1.07 -3.41 117.51 115.04 1fne h ILE 31 Ca -0.40 -2.30 0.18 0.00 1.00 0.00 0.00 64.86 63.33 1fne h ILE 31 Cb 1.19 2.82 -0.10 0.00 -0.74 0.00 0.00 36.82 40.00 1fne h ILE 31 CO 0.89 0.52 0.51 0.72 0.00 0.00 0.00 178.15 180.79 1fne s PHE 32 N -2.33 -0.16 0.15 1.37 -0.12 -1.24 -1.43 117.98 114.22 1fne s PHE 32 Ca -0.23 -0.09 -0.02 0.00 -0.05 0.00 0.00 56.93 56.54 1fne s PHE 32 Cb 0.02 0.61 -0.04 0.00 -0.63 0.00 0.00 43.02 42.99 1fne s PHE 32 CO 0.67 -0.73 0.11 -3.38 -0.05 0.00 0.00 175.22 171.84 1fne s HIS 33 N -3.19 0.88 -0.22 3.49 -3.43 -0.78 -1.61 115.29 110.43 1fne s HIS 33 Ca 0.11 -1.21 -0.08 0.00 -0.80 0.00 0.00 55.06 53.08 1fne s HIS 33 Cb -0.01 -0.44 -0.04 0.00 -1.43 0.00 0.00 32.58 30.66 1fne s HIS 33 CO -0.00 -0.58 0.09 0.08 -2.00 0.00 0.00 174.74 172.32 1fne s VAL 34 N -4.07 4.70 -0.29 -5.38 1.01 -0.45 -0.68 120.40 115.23 1fne s VAL 34 Ca 0.27 -0.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 1fne s VAL 34 Cb 0.07 -3.17 -0.00 0.00 0.00 0.00 0.00 36.38 33.28 1fne s VAL 34 CO 0.04 0.38 1.34 -0.62 0.00 0.00 0.00 175.10 176.24 1fne s ASP 35 N 1.08 6.63 0.05 3.32 -1.08 0.44 -4.63 116.67 122.49 1fne s ASP 35 Ca 0.05 1.24 -0.24 0.00 -0.52 0.00 0.00 52.55 53.08 1fne s ASP 35 Cb -0.14 -2.54 -0.17 0.00 -1.46 0.00 0.00 42.92 38.61 1fne s ASP 35 CO 0.04 -1.11 1.58 0.40 0.52 0.00 0.00 175.17 176.59 1fne h ILE 36 N 6.00 1.09 0.00 4.11 1.08 -1.93 0.13 117.51 127.99 1fne h ILE 36 Ca -0.27 -0.37 -0.02 0.00 -0.39 0.00 0.00 64.86 63.81 1fne h ILE 36 Cb 1.10 1.34 -0.00 0.00 -3.07 0.00 0.00 36.82 36.19 1fne h ILE 36 CO 1.03 0.09 -0.09 -0.33 -0.69 0.00 0.00 178.15 178.16 1fne h GLU 37 N -0.19 0.00 -0.02 2.37 4.39 -1.98 -2.70 114.58 116.44 1fne h GLU 37 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1fne h GLU 37 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1fne h GLU 37 CO 0.01 0.09 -0.08 1.63 -1.16 0.00 0.00 179.01 179.50 1fne n LYS 38 N -3.52 1.26 -4.09 2.33 4.01 -1.17 -5.00 118.16 111.99 1fne n LYS 38 Ca -0.02 -1.20 -0.27 0.00 -0.51 0.00 0.00 58.31 56.31 1fne n LYS 38 Cb 0.23 -1.26 -0.05 0.00 -0.51 0.00 0.00 35.03 33.44 1fne n LYS 38 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1fne n SER 39 N 0.56 0.08 -4.01 4.39 7.64 0.41 -4.96 113.62 117.73 1fne n SER 39 Ca 0.08 -1.10 -0.12 0.00 1.01 0.00 0.00 58.87 58.74 1fne n SER 39 Cb 0.35 -2.54 -0.12 0.00 -1.01 0.00 0.00 64.21 60.89 1fne n SER 39 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1fne s GLU 40 N -6.85 0.41 -0.11 1.43 -1.05 -1.04 -4.74 118.70 106.75 1fne s GLU 40 Ca 0.02 -0.59 -0.30 0.00 -0.15 0.00 0.00 54.97 53.95 1fne s GLU 40 Cb -0.01 -0.16 -0.02 0.00 -0.44 0.00 0.00 34.13 33.51 1fne s GLU 40 CO 0.93 0.02 1.12 0.99 0.95 0.00 0.00 175.26 179.27 1fne s THR 41 N -1.16 4.50 -0.33 1.83 2.01 -1.26 -0.42 115.64 120.81 1fne s THR 41 Ca -0.10 1.80 -0.05 0.00 0.31 0.00 0.00 61.69 63.66 1fne s THR 41 Cb -0.08 -4.16 0.04 0.00 0.01 0.00 0.00 72.50 68.31 1fne s THR 41 CO -0.00 -0.04 0.07 -0.63 -0.69 0.00 0.00 174.62 173.32 1fne s ILE 42 N 2.47 3.50 0.22 1.82 -1.09 0.14 -4.95 121.20 123.31 1fne s ILE 42 Ca 0.51 -1.23 -0.30 0.00 -2.23 0.00 0.00 60.65 57.40 1fne s ILE 42 Cb -0.21 -3.00 -0.08 0.00 -1.58 0.00 0.00 42.46 37.59 1fne s ILE 42 CO 0.17 -0.16 1.08 0.26 -1.23 0.00 0.00 174.94 175.05 1fne s TRP 43 N 1.35 3.65 0.19 3.97 0.52 -1.26 -1.87 118.94 125.47 1fne s TRP 43 Ca -0.03 1.68 -0.12 0.00 0.02 0.00 0.00 56.10 57.65 1fne s TRP 43 Cb -0.20 -3.23 0.11 0.00 -1.15 0.00 0.00 33.47 29.00 1fne s TRP 43 CO 0.01 -0.43 1.85 -0.09 0.02 0.00 0.00 176.95 178.31 1fne h ARG 44 N 4.56 0.77 -6.02 4.98 9.65 -1.48 -3.40 114.38 123.42 1fne h ARG 44 Ca -0.45 -0.05 -0.69 0.00 -1.10 0.00 0.00 59.98 57.70 1fne h ARG 44 Cb 1.21 -0.17 -0.29 0.00 -1.39 0.00 0.00 29.97 29.33 1fne h ARG 44 CO 0.70 0.51 -0.84 -0.51 2.80 0.00 0.00 179.97 182.62 1fne s LEU 45 N -10.16 2.30 0.25 3.80 1.43 -1.26 -5.04 118.68 109.99 1fne s LEU 45 Ca -0.13 -0.42 -0.04 0.00 -1.03 0.00 0.00 54.13 52.51 1fne s LEU 45 Cb 0.13 -1.44 0.49 0.00 0.03 0.00 0.00 46.19 45.40 1fne s LEU 45 CO 0.75 0.26 1.69 -0.33 0.23 0.00 0.00 176.35 178.96 1fne h GLU 46 N 5.97 0.30 -0.06 1.70 4.39 -2.00 -2.02 114.58 122.87 1fne h GLU 46 Ca -0.35 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.35 1fne h GLU 46 Cb 1.17 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.75 1fne h GLU 46 CO 0.49 0.20 0.20 1.05 -1.16 0.00 0.00 179.01 179.79 1fne h GLU 47 N 0.31 0.00 -0.10 2.33 4.11 -1.96 -2.19 114.58 117.08 1fne h GLU 47 Ca 0.43 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.77 1fne h GLU 47 Cb 0.73 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1fne h GLU 47 CO -0.49 0.00 -0.34 0.74 0.07 0.00 0.00 179.01 178.99 1fne h PHE 48 N 0.00 0.22 -0.34 2.06 0.04 -1.77 -3.19 116.94 113.96 1fne h PHE 48 Ca 0.03 -0.05 0.10 0.00 2.80 0.00 0.00 57.97 60.85 1fne h PHE 48 Cb 0.42 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 1fne h PHE 48 CO 0.00 0.51 0.39 0.00 -0.60 0.00 0.00 178.31 178.61 1fne h ALA 49 N 1.48 2.00 -0.02 2.45 0.00 -1.57 -1.17 119.26 122.44 1fne h ALA 49 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1fne h ALA 49 Cb 0.68 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1fne h ALA 49 CO 0.05 -0.56 -0.01 0.36 0.00 0.00 0.00 179.25 179.09 1fne n LYS 50 N -3.67 1.71 -0.00 0.00 2.85 -1.20 -3.93 118.16 113.91 1fne n LYS 50 Ca 0.05 -1.06 0.06 0.00 -1.05 0.00 0.00 58.31 56.31 1fne n LYS 50 Cb 0.54 -1.48 -0.07 0.00 -0.65 0.00 0.00 35.03 33.37 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 0.28 0.00 -3.63 5.58 3.72 -0.45 -5.07 117.46 117.90 1fne n PHE 51 Ca 0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 1fne n PHE 51 Cb 0.39 -0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.92 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 -2.20 -2.15 0.12 4.37 0.00 -1.21 -5.16 121.76 115.53 1fne s ALA 52 Ca 0.05 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.74 1fne s ALA 52 Cb 0.10 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.52 1fne s ALA 52 CO 0.52 -1.00 0.01 -1.54 0.00 0.00 0.00 175.76 173.75 1fne s SER 53 N -2.88 0.72 -0.10 0.00 1.04 -1.26 -4.67 113.70 106.55 1fne s SER 53 Ca 0.13 -1.13 -0.06 0.00 0.48 0.00 0.00 55.95 55.38 1fne s SER 53 Cb 0.03 0.20 0.04 0.00 0.10 0.00 0.00 66.02 66.39 1fne s SER 53 CO -0.03 -0.62 0.24 0.12 0.98 0.00 0.00 173.24 173.92 1fne s PHE 54 N -3.85 -0.30 -0.64 5.02 5.36 -1.26 -5.11 117.98 117.19 1fne s PHE 54 Ca 0.19 0.74 -0.28 0.00 -0.96 0.00 0.00 56.93 56.62 1fne s PHE 54 Cb 0.07 0.05 0.03 0.00 -0.34 0.00 0.00 43.02 42.82 1fne s PHE 54 CO -0.01 -0.21 1.24 -1.21 -1.46 0.00 0.00 175.22 173.57 1fne s GLU 55 N 1.06 3.37 0.29 10.12 0.41 -1.26 -4.73 118.70 127.96 1fne s GLU 55 Ca -0.08 0.06 0.03 0.00 -0.41 0.00 0.00 54.97 54.58 1fne s GLU 55 Cb -0.09 -4.09 0.64 0.00 -1.78 0.00 0.00 34.13 28.81 1fne s GLU 55 CO -0.07 -1.89 1.80 0.00 -0.49 0.00 0.00 175.26 174.62 1fne h ALA 56 N 9.83 1.57 -0.22 5.21 0.00 -1.94 -2.24 119.26 131.47 1fne h ALA 56 Ca -0.26 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.72 1fne h ALA 56 Cb 1.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1fne h ALA 56 CO 1.23 0.08 0.15 1.96 0.00 0.00 0.00 179.25 182.66 1fne h GLN 57 N 0.87 0.20 -0.22 0.00 1.08 -1.91 -0.77 115.11 114.36 1fne h GLN 57 Ca 0.53 -0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.67 1fne h GLN 57 Cb 0.69 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.06 1fne h GLN 57 CO -0.33 0.14 -0.07 0.78 -0.95 0.00 0.00 178.83 178.39 1fne h GLY 58 N 0.21 0.38 1.52 3.46 0.00 -1.82 -1.09 103.07 105.73 1fne h GLY 58 Ca 0.09 -0.22 -0.17 0.00 0.00 0.00 0.00 47.33 47.03 1fne h GLY 58 CO -0.02 0.21 -0.60 0.00 0.00 0.00 0.00 176.54 176.13 1fne h ALA 59 N 1.60 0.68 -0.13 3.60 0.00 -1.24 -2.35 119.26 121.42 1fne h ALA 59 Ca 0.07 -0.54 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 1fne h ALA 59 Cb 0.35 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1fne h ALA 59 CO 0.02 0.71 -0.35 -0.07 0.00 0.00 0.00 179.25 179.56 1fne h LEU 60 N 0.37 0.27 -0.72 0.00 3.38 -0.98 -0.58 115.31 117.04 1fne h LEU 60 Ca -0.00 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 1fne h LEU 60 Cb 1.15 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1fne h LEU 60 CO 0.11 0.61 -0.04 0.00 0.09 0.00 0.00 178.44 179.20 1fne h ALA 61 N 1.41 0.92 -0.40 1.53 0.00 -0.99 0.85 119.26 122.58 1fne h ALA 61 Ca 0.03 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1fne h ALA 61 Cb 0.73 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1fne h ALA 61 CO 0.06 0.64 0.14 -0.91 0.00 0.00 0.00 179.25 179.17 1fne h ASN 62 N 0.85 0.57 -0.87 0.00 4.21 -0.87 -1.44 115.58 118.03 1fne h ASN 62 Ca 0.15 -0.19 0.02 0.00 1.21 0.00 0.00 56.30 57.49 1fne h ASN 62 Cb 0.56 -0.15 -0.05 0.00 -1.12 0.00 0.00 38.32 37.57 1fne h ASN 62 CO 0.03 0.61 0.57 0.40 -1.29 0.00 0.00 177.43 177.75 1fne h ILE 63 N 0.50 1.18 -0.85 2.81 1.08 -0.78 0.36 117.51 121.82 1fne h ILE 63 Ca 0.13 -0.39 0.06 0.00 -0.39 0.00 0.00 64.86 64.27 1fne h ILE 63 Cb 0.23 -0.06 -0.06 0.00 -3.07 0.00 0.00 36.82 33.86 1fne h ILE 63 CO -0.01 0.21 0.53 0.00 -0.69 0.00 0.00 178.15 178.19 1fne h ALA 64 N 1.34 1.17 -0.47 1.87 0.00 -0.42 0.25 119.26 123.00 1fne h ALA 64 Ca 0.34 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.12 1fne h ALA 64 Cb -0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1fne h ALA 64 CO -0.10 0.28 -0.16 0.28 0.00 0.00 0.00 179.25 179.56 1fne h VAL 65 N 0.98 1.27 -0.44 0.00 2.07 -0.28 -1.99 116.25 117.86 1fne h VAL 65 Ca 0.37 -1.31 -0.03 0.00 0.82 0.00 0.00 66.70 66.55 1fne h VAL 65 Cb 0.15 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1fne h VAL 65 CO -0.17 0.45 0.14 0.44 0.02 0.00 0.00 177.57 178.46 1fne h ASP 66 N 0.79 0.59 -0.38 0.57 3.32 0.12 0.12 116.42 121.55 1fne h ASP 66 Ca 0.11 -0.08 -0.09 0.00 0.02 0.00 0.00 57.03 57.00 1fne h ASP 66 Cb 0.72 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 1fne h ASP 66 CO 0.06 0.56 -0.12 0.50 -1.72 0.00 0.00 179.24 178.52 1fne h LYS 67 N 0.64 0.75 -0.31 3.56 3.64 -0.25 -0.23 116.57 124.37 1fne h LYS 67 Ca 0.15 -0.30 -0.06 0.00 -1.27 0.00 0.00 60.65 59.17 1fne h LYS 67 Cb 0.18 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1fne h LYS 67 CO -0.01 0.91 -0.06 0.00 -2.27 0.00 0.00 179.45 178.02 1fne h ALA 68 N 0.82 0.43 -0.15 5.00 0.00 -0.97 -2.86 119.26 121.54 1fne h ALA 68 Ca 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1fne h ALA 68 Cb 0.64 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1fne h ALA 68 CO 0.04 0.24 0.05 -0.91 0.00 0.00 0.00 179.25 178.67 1fne h ASN 69 N 0.37 0.18 -0.61 0.00 2.35 -0.65 -2.13 115.58 115.09 1fne h ASN 69 Ca 0.08 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.75 1fne h ASN 69 Cb 0.53 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 38.83 1fne h ASN 69 CO 0.03 0.18 0.12 0.25 -1.65 0.00 0.00 177.43 176.35 1fne h LEU 70 N 0.20 0.97 -0.83 1.61 5.85 -0.80 -0.39 115.31 121.91 1fne h LEU 70 Ca 0.05 -0.21 -0.08 0.00 0.84 0.00 0.00 57.88 58.48 1fne h LEU 70 Cb 0.06 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1fne h LEU 70 CO -0.00 0.95 0.02 0.44 -0.34 0.00 0.00 178.44 179.50 1fne h ASP 71 N 0.96 0.86 -0.40 1.25 3.32 -1.29 -0.41 116.42 120.70 1fne h ASP 71 Ca 0.20 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 1fne h ASP 71 Cb 0.39 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1fne h ASP 71 CO 0.01 0.91 0.15 0.58 -1.72 0.00 0.00 179.24 179.17 1fne h VAL 72 N 0.83 1.20 -0.70 -1.35 2.07 -1.16 -2.04 116.25 115.10 1fne h VAL 72 Ca 0.16 -0.63 -0.07 0.00 0.82 0.00 0.00 66.70 66.98 1fne h VAL 72 Cb 0.47 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1fne h VAL 72 CO 0.02 0.23 0.15 0.24 0.02 0.00 0.00 177.57 178.23 1fne h MET 73 N 0.51 1.14 -0.19 1.57 2.86 -0.71 -0.26 114.93 119.85 1fne h MET 73 Ca 0.13 -0.28 -0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1fne h MET 73 Cb 0.20 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1fne h MET 73 CO -0.01 1.01 0.12 0.87 1.06 0.00 0.00 176.91 179.96 1fne h LYS 74 N 1.07 0.25 -0.43 1.72 1.57 -0.91 -0.81 116.57 119.04 1fne h LYS 74 Ca 0.22 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.88 1fne h LYS 74 Cb 0.40 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1fne h LYS 74 CO 0.01 0.20 -0.14 1.05 -0.57 0.00 0.00 179.45 179.99 1fne h GLU 75 N 0.23 0.79 -0.15 3.15 4.11 -1.23 0.73 114.58 122.20 1fne h GLU 75 Ca 0.07 -0.28 -0.07 0.00 0.07 0.00 0.00 59.36 59.15 1fne h GLU 75 Cb 0.01 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1fne h GLU 75 CO -0.01 0.88 -0.23 -0.09 0.07 0.00 0.00 179.01 179.63 1fne h ARG 76 N 0.70 0.27 -0.42 1.06 2.43 -0.72 -2.14 114.38 115.56 1fne h ARG 76 Ca 0.11 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1fne h ARG 76 Cb 0.63 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1fne h ARG 76 CO 0.04 0.49 0.00 -1.13 -1.51 0.00 0.00 179.97 177.87 1fne n SER 77 N -4.17 3.13 -3.65 -3.80 3.41 -0.34 -4.93 113.62 103.26 1fne n SER 77 Ca -0.01 -1.95 -0.24 0.00 -0.26 0.00 0.00 58.87 56.41 1fne n SER 77 Cb 0.35 -0.27 0.06 0.00 -0.26 0.00 0.00 64.21 64.10 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 -4.73 -3.90 4.04 5.15 -0.34 -2.69 115.26 114.05 1fne n ASN 78 Ca 0.19 -0.64 -0.29 0.00 -0.60 0.00 0.00 54.58 53.25 1fne n ASN 78 Cb 0.54 -4.68 0.02 0.00 -0.53 0.00 0.00 39.78 35.13 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 -3.67 -4.60 1.20 3.02 0.24 -4.96 115.26 103.49 1fne n ASN 79 Ca -0.07 -0.82 -0.41 0.00 -0.03 0.00 0.00 54.58 53.26 1fne n ASN 79 Cb 0.58 -3.79 -0.07 0.00 -0.61 0.00 0.00 39.78 35.90 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 -3.42 5.01 0.38 3.41 2.01 -1.09 -5.07 115.64 116.87 1fne s THR 80 Ca 0.49 0.81 -0.01 0.00 0.31 0.00 0.00 61.69 63.29 1fne s THR 80 Cb -0.25 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 1fne s THR 80 CO 0.84 -0.03 0.61 -2.16 -0.69 0.00 0.00 174.62 173.18 1fne s PRO 81 N 2.43 3.51 0.39 4.92 0.04 -1.26 -5.03 135.00 140.00 1fne s PRO 81 Ca 0.22 -0.16 0.08 0.00 0.04 0.00 0.00 61.00 61.17 1fne s PRO 81 Cb -0.15 -2.59 -0.01 0.00 0.04 0.00 0.00 34.50 31.79 1fne s PRO 81 CO 0.11 0.06 0.45 -0.51 0.04 0.00 0.00 177.00 177.15 1fne s ASP 82 N -3.98 5.47 0.68 6.66 1.01 -1.26 -5.10 116.67 120.16 1fne s ASP 82 Ca 0.42 -0.49 -0.14 0.00 0.71 0.00 0.00 52.55 53.05 1fne s ASP 82 Cb -0.10 -0.78 0.01 0.00 1.01 0.00 0.00 42.92 43.06 1fne s ASP 82 CO 0.38 -0.61 1.12 0.00 0.21 0.00 0.00 175.17 176.27 1fne s ALA 83 N -2.35 2.40 -0.08 5.23 0.00 -1.26 -5.00 121.76 120.71 1fne s ALA 83 Ca 0.49 0.55 -0.22 0.00 0.00 0.00 0.00 51.96 52.78 1fne s ALA 83 Cb -0.07 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 1fne s ALA 83 CO 0.30 -1.39 0.66 -0.80 0.00 0.00 0.00 175.76 174.53 1fne s ASN 84 N -2.61 6.92 -0.40 0.00 0.01 -1.26 -4.87 114.94 112.73 1fne s ASN 84 Ca 0.67 1.11 -0.13 0.00 -0.71 0.00 0.00 52.86 53.81 1fne s ASN 84 Cb -0.21 -2.39 0.04 0.00 0.41 0.00 0.00 41.25 39.10 1fne s ASN 84 CO 0.43 -0.11 0.27 -0.69 -1.51 0.00 0.00 177.10 175.49 1fne s VAL 85 N 0.83 4.85 0.41 1.60 1.01 0.07 -4.63 120.40 124.54 1fne s VAL 85 Ca 0.35 -0.87 -0.26 0.00 0.00 0.00 0.00 61.98 61.19 1fne s VAL 85 Cb -0.17 -3.76 -0.09 0.00 0.00 0.00 0.00 36.38 32.36 1fne s VAL 85 CO 0.16 -0.33 1.34 0.00 0.00 0.00 0.00 175.10 176.28 1fne s ALA 86 N 1.59 3.30 0.52 5.51 0.00 -1.26 -2.44 121.76 128.99 1fne s ALA 86 Ca 0.03 1.31 -0.15 0.00 0.00 0.00 0.00 51.96 53.16 1fne s ALA 86 Cb -0.20 -3.52 -0.07 0.00 0.00 0.00 0.00 23.12 19.33 1fne s ALA 86 CO 0.07 -0.90 0.97 -1.25 0.00 0.00 0.00 175.76 174.65 1fne s PRO 87 N -2.23 3.85 0.05 0.00 0.04 -1.26 -4.59 135.00 130.86 1fne s PRO 87 Ca 0.57 0.85 -0.04 0.00 0.04 0.00 0.00 61.00 62.42 1fne s PRO 87 Cb -0.40 -2.15 -0.05 0.00 0.04 0.00 0.00 34.50 31.94 1fne s PRO 87 CO 0.52 -0.31 0.27 -1.21 0.04 0.00 0.00 177.00 176.31 1fne s GLU 88 N -4.29 3.54 -0.03 4.56 2.02 -0.28 -4.90 118.70 119.32 1fne s GLU 88 Ca 0.57 -0.20 0.03 0.00 0.02 0.00 0.00 54.97 55.39 1fne s GLU 88 Cb -0.10 -3.02 0.00 0.00 0.10 0.00 0.00 34.13 31.11 1fne s GLU 88 CO 0.36 0.60 -0.10 0.08 0.02 0.00 0.00 175.26 176.22 1fne s VAL 89 N -1.44 0.88 -0.01 2.63 1.01 -1.26 -1.08 120.40 121.13 1fne s VAL 89 Ca 0.33 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.92 1fne s VAL 89 Cb -0.13 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.47 1fne s VAL 89 CO 0.21 0.27 -0.09 -0.89 0.00 0.00 0.00 175.10 174.60 1fne s THR 90 N 0.18 0.76 -0.13 3.92 2.01 -0.37 -4.98 115.64 117.03 1fne s THR 90 Ca -0.03 -0.40 0.03 0.00 0.31 0.00 0.00 61.69 61.59 1fne s THR 90 Cb -0.09 -0.64 0.01 0.00 0.01 0.00 0.00 72.50 71.79 1fne s THR 90 CO 0.01 0.22 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.25 1fne s VAL 91 N -0.16 2.01 0.02 3.82 1.01 -1.26 -0.02 120.40 125.82 1fne s VAL 91 Ca 0.03 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 60.95 1fne s VAL 91 Cb -0.04 -1.78 0.01 0.00 0.00 0.00 0.00 36.38 34.56 1fne s VAL 91 CO -0.00 0.54 0.22 -1.48 0.00 0.00 0.00 175.10 174.38 1fne s LEU 92 N 0.80 1.24 0.51 3.92 2.34 -0.03 -4.97 118.68 122.49 1fne s LEU 92 Ca -0.08 -0.24 -0.18 0.00 0.06 0.00 0.00 54.13 53.69 1fne s LEU 92 Cb -0.16 1.02 -0.08 0.00 -0.56 0.00 0.00 46.19 46.42 1fne s LEU 92 CO -0.01 -0.52 1.01 -0.94 -1.06 0.00 0.00 176.35 174.83 1fne s SER 93 N -1.84 6.42 0.31 1.48 1.04 -1.26 0.62 113.70 120.47 1fne s SER 93 Ca -0.08 1.75 0.10 0.00 0.48 0.00 0.00 55.95 58.20 1fne s SER 93 Cb -0.03 -2.53 0.51 0.00 0.10 0.00 0.00 66.02 64.06 1fne s SER 93 CO -0.01 -0.72 1.71 -0.09 0.98 0.00 0.00 173.24 175.10 1fne h ARG 94 N 1.19 0.07 -3.52 4.02 2.43 -1.29 -3.45 114.38 113.82 1fne h ARG 94 Ca -0.48 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 58.60 1fne h ARG 94 Cb 1.20 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.68 1fne h ARG 94 CO 0.60 0.54 -0.02 -1.54 -1.51 0.00 0.00 179.97 178.03 1fne s SER 95 N -6.89 0.01 -0.00 -3.80 1.04 -1.26 -5.06 113.70 97.73 1fne s SER 95 Ca -0.03 -0.96 -0.39 0.00 0.48 0.00 0.00 55.95 55.06 1fne s SER 95 Cb 0.13 0.65 -0.18 0.00 0.10 0.00 0.00 66.02 66.72 1fne s SER 95 CO 0.75 -1.26 1.27 -2.65 0.98 0.00 0.00 173.24 172.34 1fne n PRO 96 N -0.43 0.64 -2.95 4.02 -0.02 -1.26 -4.88 135.00 130.11 1fne n PRO 96 Ca -0.02 0.23 -0.41 0.00 -2.02 0.00 0.00 63.50 61.27 1fne n PRO 96 Cb 0.61 -1.81 -0.05 0.00 -0.02 0.00 0.00 33.50 32.23 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 0.63 4.89 -0.06 -1.45 1.01 -1.26 -5.05 120.40 119.10 1fne s VAL 97 Ca 0.89 1.46 0.04 0.00 0.00 0.00 0.00 61.98 64.37 1fne s VAL 97 Cb -1.11 -4.07 -0.00 0.00 0.00 0.00 0.00 36.38 31.20 1fne s VAL 97 CO 0.54 -0.02 -0.19 0.20 0.00 0.00 0.00 175.10 175.63 1fne s ASN 98 N 1.33 2.39 0.26 3.32 0.01 -1.26 -5.07 114.94 115.92 1fne s ASN 98 Ca 0.33 -0.41 -0.31 0.00 -0.71 0.00 0.00 52.86 51.77 1fne s ASN 98 Cb -0.16 -0.84 -0.13 0.00 0.41 0.00 0.00 41.25 40.53 1fne s ASN 98 CO 0.08 0.14 1.44 0.18 -1.51 0.00 0.00 177.10 177.44 1fne n LEU 99 N 3.33 3.42 0.00 0.60 4.77 -1.26 -1.38 117.00 126.47 1fne n LEU 99 Ca -0.19 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.94 1fne n LEU 99 Cb 0.53 -1.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 1fne n LEU 99 CO 0.26 -0.35 0.00 0.61 -1.33 0.00 0.00 177.39 176.58 1fne n GLY 100 N 2.05 1.33 3.46 -0.72 0.00 -1.19 -4.99 105.19 105.13 1fne n GLY 100 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.12 3.53 0.23 1.61 2.02 -0.48 -4.96 118.70 120.53 1fne s GLU 101 Ca 0.00 -0.58 -0.31 0.00 0.02 0.00 0.00 54.97 54.10 1fne s GLU 101 Cb 0.00 -3.47 -0.14 0.00 0.10 0.00 0.00 34.13 30.62 1fne s GLU 101 CO 0.00 -0.30 1.20 -2.30 0.02 0.00 0.00 175.26 173.88 1fne n PRO 102 N 4.96 1.51 -2.01 0.39 -0.02 -1.26 -4.26 135.00 134.31 1fne n PRO 102 Ca -0.15 0.54 -0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1fne n PRO 102 Cb 0.50 -2.05 -0.00 0.00 -0.02 0.00 0.00 33.50 31.93 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 1.79 -0.01 -3.70 2.55 2.85 0.04 -5.00 115.26 113.78 1fne n ASN 103 Ca 0.12 -1.04 -0.13 0.00 -0.11 0.00 0.00 54.58 53.42 1fne n ASN 103 Cb 0.29 0.03 -0.13 0.00 1.24 0.00 0.00 39.78 41.21 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 -2.05 -0.20 0.06 -1.44 1.01 -1.26 -1.36 121.20 115.96 1fne s ILE 104 Ca 0.01 0.20 -0.24 0.00 0.00 0.00 0.00 60.65 60.62 1fne s ILE 104 Cb 0.00 -0.41 -0.06 0.00 0.01 0.00 0.00 42.46 42.00 1fne s ILE 104 CO 0.00 0.08 0.74 -0.76 0.00 0.00 0.00 174.94 175.01 1fne s LEU 105 N 1.76 4.47 -0.19 2.97 1.43 0.14 -0.73 118.68 128.53 1fne s LEU 105 Ca -0.05 1.45 -0.04 0.00 -1.03 0.00 0.00 54.13 54.46 1fne s LEU 105 Cb -0.11 -3.20 -0.02 0.00 0.03 0.00 0.00 46.19 42.89 1fne s LEU 105 CO -0.09 0.06 -0.03 -0.63 0.23 0.00 0.00 176.35 175.90 1fne s ILE 106 N -0.28 3.73 -0.40 -0.59 1.01 0.20 -1.28 121.20 123.60 1fne s ILE 106 Ca 0.37 -0.40 -0.08 0.00 0.00 0.00 0.00 60.65 60.55 1fne s ILE 106 Cb -0.21 -2.66 0.07 0.00 0.01 0.00 0.00 42.46 39.67 1fne s ILE 106 CO 0.23 0.45 0.22 0.00 0.00 0.00 0.00 174.94 175.84 1fne s PHE 108 N 1.38 3.22 -0.25 0.00 5.36 0.97 -1.48 117.98 127.17 1fne s PHE 108 Ca 0.02 -0.01 -0.08 0.00 -0.96 0.00 0.00 56.93 55.91 1fne s PHE 108 Cb -0.22 -2.61 -0.03 0.00 -0.34 0.00 0.00 43.02 39.82 1fne s PHE 108 CO 0.01 -0.38 0.08 0.42 -1.46 0.00 0.00 175.22 173.89 1fne s ILE 109 N 1.95 4.42 0.25 3.12 1.01 -0.53 -1.23 121.20 130.19 1fne s ILE 109 Ca 0.11 -0.13 0.04 0.00 0.00 0.00 0.00 60.65 60.67 1fne s ILE 109 Cb -0.17 -3.07 -0.05 0.00 0.01 0.00 0.00 42.46 39.18 1fne s ILE 109 CO 0.11 0.33 -0.02 -0.62 0.00 0.00 0.00 174.94 174.75 1fne s ASP 110 N 1.61 2.14 -1.44 3.58 2.15 -0.24 -0.43 116.67 124.04 1fne s ASP 110 Ca 0.06 -1.21 -0.01 0.00 0.43 0.00 0.00 52.55 51.82 1fne s ASP 110 Cb -0.15 -0.05 0.01 0.00 -0.30 0.00 0.00 42.92 42.43 1fne s ASP 110 CO 0.04 -0.46 0.39 0.29 -0.17 0.00 0.00 175.17 175.26 1fne n LYS 111 N -0.48 -3.05 -4.41 4.34 5.02 -0.85 -1.12 118.16 117.61 1fne n LYS 111 Ca -0.05 0.37 -0.20 0.00 -2.02 0.00 0.00 58.31 56.41 1fne n LYS 111 Cb 0.64 -4.46 -0.10 0.00 -0.02 0.00 0.00 35.03 31.08 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 -3.97 1.84 -0.29 2.13 -0.71 -1.03 -4.42 117.98 111.53 1fne s PHE 112 Ca 0.04 -1.03 -0.26 0.00 -1.04 0.00 0.00 56.93 54.64 1fne s PHE 112 Cb -0.02 -1.17 0.18 0.00 -1.21 0.00 0.00 43.02 40.80 1fne s PHE 112 CO 0.90 -0.10 1.36 0.45 -1.34 0.00 0.00 175.22 176.49 1fne s SER 113 N -3.44 -0.10 0.98 1.98 0.15 -1.02 -0.45 113.70 111.79 1fne s SER 113 Ca 0.37 0.17 -0.11 0.00 0.70 0.00 0.00 55.95 57.08 1fne s SER 113 Cb 0.08 0.16 0.18 0.00 -1.71 0.00 0.00 66.02 64.73 1fne s SER 113 CO 0.15 -0.05 1.10 -2.16 1.20 0.00 0.00 173.24 173.47 1fne s PRO 114 N -0.31 0.57 -1.42 5.44 0.04 -1.26 -0.75 135.00 137.31 1fne s PRO 114 Ca 0.07 1.16 -0.14 0.00 0.04 0.00 0.00 61.00 62.13 1fne s PRO 114 Cb -0.04 -1.70 0.06 0.00 0.04 0.00 0.00 34.50 32.86 1fne s PRO 114 CO -0.12 -2.81 2.12 -0.35 0.04 0.00 0.00 177.00 175.88 1fne n PRO 115 N -4.32 2.97 -3.70 0.56 -0.04 -1.26 -4.78 135.00 124.43 1fne n PRO 115 Ca 0.08 -2.79 -0.11 0.00 -0.04 0.00 0.00 63.50 60.64 1fne n PRO 115 Cb 0.53 -3.28 -0.11 0.00 -0.04 0.00 0.00 33.50 30.61 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 3.05 -0.02 0.06 0.52 -7.23 -1.26 -5.01 120.40 110.51 1fne s VAL 116 Ca 0.47 0.07 -0.26 0.00 -1.81 0.00 0.00 61.98 60.45 1fne s VAL 116 Cb 0.12 -0.60 0.07 0.00 0.56 0.00 0.00 36.38 36.53 1fne s VAL 116 CO -0.06 0.03 0.62 0.54 -0.31 0.00 0.00 175.10 175.92 1fne s VAL 117 N 1.10 0.00 -0.14 1.32 0.11 -1.26 -4.76 120.40 116.77 1fne s VAL 117 Ca -0.07 -0.02 0.02 0.00 -2.93 0.00 0.00 61.98 58.98 1fne s VAL 117 Cb -0.07 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.79 1fne s VAL 117 CO -0.09 -0.01 -0.21 0.20 -3.33 0.00 0.00 175.10 171.65 1fne s ASN 118 N -2.04 3.20 -0.02 3.54 0.01 -0.30 -4.97 114.94 114.35 1fne s ASN 118 Ca -0.04 -0.58 0.05 0.00 -0.71 0.00 0.00 52.86 51.58 1fne s ASN 118 Cb -0.01 -1.46 -0.01 0.00 0.41 0.00 0.00 41.25 40.18 1fne s ASN 118 CO -0.03 0.09 -0.18 -0.69 -1.51 0.00 0.00 177.10 174.78 1fne s VAL 119 N 0.77 1.48 -0.07 1.60 1.01 -1.26 -0.02 120.40 123.91 1fne s VAL 119 Ca -0.08 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 1fne s VAL 119 Cb -0.16 -1.24 0.03 0.00 0.00 0.00 0.00 36.38 35.01 1fne s VAL 119 CO -0.01 0.42 -0.01 -0.89 0.00 0.00 0.00 175.10 174.61 1fne s THR 120 N -0.32 0.43 0.20 3.92 2.01 -0.15 -4.98 115.64 116.75 1fne s THR 120 Ca 0.04 0.05 -0.23 0.00 0.31 0.00 0.00 61.69 61.86 1fne s THR 120 Cb -0.08 -0.55 -0.08 0.00 0.01 0.00 0.00 72.50 71.79 1fne s THR 120 CO 0.00 0.25 0.76 0.26 -0.69 0.00 0.00 174.62 175.20 1fne s TRP 121 N 1.67 3.78 -0.08 4.92 0.52 -1.26 -1.35 118.94 127.15 1fne s TRP 121 Ca 0.01 1.53 0.01 0.00 0.02 0.00 0.00 56.10 57.67 1fne s TRP 121 Cb -0.13 -2.71 0.02 0.00 -1.15 0.00 0.00 33.47 29.50 1fne s TRP 121 CO -0.04 0.42 -0.09 -0.51 0.02 0.00 0.00 176.95 176.75 1fne s LEU 122 N -1.55 1.39 -0.30 2.99 1.43 0.48 -1.40 118.68 121.71 1fne s LEU 122 Ca 0.39 -0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 53.21 1fne s LEU 122 Cb -0.20 -0.76 0.05 0.00 0.03 0.00 0.00 46.19 45.31 1fne s LEU 122 CO 0.24 -0.04 -0.01 -0.60 0.23 0.00 0.00 176.35 176.17 1fne s ARG 123 N 1.13 2.42 -1.36 1.70 3.52 0.44 -1.03 118.95 125.79 1fne s ARG 123 Ca -0.06 -1.27 -0.07 0.00 -0.13 0.00 0.00 55.73 54.20 1fne s ARG 123 Cb -0.14 -3.17 0.01 0.00 -1.56 0.00 0.00 34.95 30.09 1fne s ARG 123 CO -0.02 -0.62 0.87 0.09 -0.81 0.00 0.00 175.30 174.81 1fne n ASN 124 N 4.61 -6.00 0.00 -2.12 3.02 0.24 -2.41 115.26 112.60 1fne n ASN 124 Ca -0.13 -0.40 0.00 0.00 -0.03 0.00 0.00 54.58 54.02 1fne n ASN 124 Cb 0.43 -4.71 0.00 0.00 -0.61 0.00 0.00 39.78 34.89 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 -1.72 1.34 3.47 7.41 0.00 -1.26 -5.04 105.19 109.39 1fne n GLY 125 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.27 2.21 0.17 1.61 0.52 -1.01 -5.03 118.95 117.16 1fne s ARG 126 Ca 0.00 -0.89 -0.32 0.00 -0.52 0.00 0.00 55.73 54.00 1fne s ARG 126 Cb 0.00 -2.26 -0.11 0.00 0.52 0.00 0.00 34.95 33.10 1fne s ARG 126 CO 0.00 0.56 1.73 -2.14 0.02 0.00 0.00 175.30 175.47 1fne s PRO 127 N -1.28 4.14 -0.24 3.54 0.02 -1.26 -0.42 135.00 139.51 1fne s PRO 127 Ca 0.14 2.56 -0.09 0.00 0.02 0.00 0.00 61.00 63.63 1fne s PRO 127 Cb -0.11 -3.25 -0.04 0.00 0.02 0.00 0.00 34.50 31.12 1fne s PRO 127 CO 0.04 -0.76 0.12 0.08 -0.33 0.00 0.00 177.00 176.15 1fne s VAL 128 N 1.67 4.84 -0.20 3.83 1.01 -0.49 -4.88 120.40 126.17 1fne s VAL 128 Ca 0.76 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.82 1fne s VAL 128 Cb -0.47 -3.26 -0.11 0.00 0.00 0.00 0.00 36.38 32.54 1fne s VAL 128 CO 0.33 0.34 0.27 0.41 0.00 0.00 0.00 175.10 176.45 1fne n THR 129 N 4.61 0.00 -3.91 3.92 -1.04 -1.26 -4.54 114.28 112.05 1fne n THR 129 Ca -0.15 -0.25 -0.33 0.00 -2.04 0.00 0.00 64.05 61.28 1fne n THR 129 Cb 0.52 0.66 -0.05 0.00 -1.82 0.00 0.00 70.33 69.64 1fne n THR 129 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1fne s GLU 130 N -2.17 3.43 -1.21 -2.82 2.02 -1.26 -4.38 118.70 112.31 1fne s GLU 130 Ca 0.00 -0.36 -0.01 0.00 0.02 0.00 0.00 54.97 54.63 1fne s GLU 130 Cb 0.06 -3.08 0.00 0.00 0.10 0.00 0.00 34.13 31.21 1fne s GLU 130 CO 0.34 0.66 0.07 0.41 0.02 0.00 0.00 175.26 176.76 1fne n GLY 131 N 0.79 -0.21 3.35 -1.39 0.00 -1.26 -4.83 105.19 101.63 1fne n GLY 131 Ca -0.09 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.76 2.14 0.24 1.61 -7.23 -1.26 -1.20 120.40 111.93 1fne s VAL 132 Ca 0.03 -1.45 -0.07 0.00 -1.81 0.00 0.00 61.98 58.68 1fne s VAL 132 Cb -0.02 -1.84 -0.02 0.00 0.56 0.00 0.00 36.38 35.07 1fne s VAL 132 CO 0.04 0.31 0.35 -0.94 -0.31 0.00 0.00 175.10 174.55 1fne s SER 133 N -1.39 0.11 0.22 4.85 1.04 -0.91 -5.00 113.70 112.62 1fne s SER 133 Ca 0.12 -1.16 -0.19 0.00 0.48 0.00 0.00 55.95 55.19 1fne s SER 133 Cb -0.10 0.52 0.03 0.00 0.10 0.00 0.00 66.02 66.57 1fne s SER 133 CO 0.03 -1.04 0.61 -1.83 0.98 0.00 0.00 173.24 171.98 1fne s GLU 134 N -3.97 1.52 0.39 4.02 -1.05 -1.26 -1.05 118.70 117.30 1fne s GLU 134 Ca 0.29 -0.86 0.08 0.00 -0.15 0.00 0.00 54.97 54.33 1fne s GLU 134 Cb 0.02 0.56 -0.02 0.00 -0.44 0.00 0.00 34.13 34.25 1fne s GLU 134 CO 0.11 -0.67 0.34 0.95 0.95 0.00 0.00 175.26 176.94 1fne s THR 135 N -3.88 2.94 0.00 1.83 -4.23 -0.59 -5.02 115.64 106.70 1fne s THR 135 Ca 0.09 -1.37 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 1fne s THR 135 Cb -0.03 -3.06 0.00 0.00 1.34 0.00 0.00 72.50 70.76 1fne s THR 135 CO -0.00 -0.06 0.00 1.33 -0.54 0.00 0.00 174.62 175.34 1fne n VAL 136 N -1.47 0.00 -2.82 2.29 0.24 -1.26 -4.70 118.33 110.60 1fne n VAL 136 Ca 0.02 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.89 1fne n VAL 136 Cb 0.61 -1.96 -0.04 0.00 -1.47 0.00 0.00 33.84 30.98 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 -0.86 3.21 0.12 6.34 0.40 -1.26 -4.64 117.98 121.29 1fne s PHE 137 Ca 0.00 1.01 -0.04 0.00 -0.60 0.00 0.00 56.93 57.30 1fne s PHE 137 Cb 0.00 -3.36 -0.05 0.00 0.51 0.00 0.00 43.02 40.12 1fne s PHE 137 CO 0.00 -0.61 0.33 -0.51 0.70 0.00 0.00 175.22 175.13 1fne s LEU 138 N 3.19 4.29 0.68 -0.37 1.43 -0.09 -4.91 118.68 122.89 1fne s LEU 138 Ca 0.38 0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 53.87 1fne s LEU 138 Cb -0.14 -3.22 -0.00 0.00 0.03 0.00 0.00 46.19 42.86 1fne s LEU 138 CO 0.12 0.08 1.05 -2.16 0.23 0.00 0.00 176.35 175.68 1fne s PRO 139 N -2.62 3.06 0.45 1.29 0.04 -1.26 -1.57 135.00 134.39 1fne s PRO 139 Ca 0.39 0.94 0.01 0.00 0.04 0.00 0.00 61.00 62.39 1fne s PRO 139 Cb -0.12 -2.01 -0.00 0.00 0.04 0.00 0.00 34.50 32.41 1fne s PRO 139 CO 0.25 -1.00 0.05 0.54 0.04 0.00 0.00 177.00 176.88 1fne n ARG 140 N -3.00 0.76 0.19 4.56 1.74 -1.21 -4.77 116.66 114.92 1fne n ARG 140 Ca 0.07 -3.42 0.03 0.00 -0.77 0.00 0.00 57.85 53.76 1fne n ARG 140 Cb 0.54 1.22 0.36 0.00 -1.02 0.00 0.00 32.46 33.56 1fne n ARG 140 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 1fne h ASP 141 N 1.29 0.00 -0.08 0.55 1.82 -1.98 -3.45 116.42 114.56 1fne h ASP 141 Ca -0.37 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.27 1fne h ASP 141 Cb 1.19 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.20 1fne h ASP 141 CO 0.60 0.37 0.00 -0.90 -1.61 0.00 0.00 179.24 177.70 1fne n ASP 142 N -4.02 0.00 -0.68 2.28 5.68 -1.26 -5.00 116.55 113.54 1fne n ASP 142 Ca -0.02 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.39 1fne n ASP 142 Cb 0.42 0.00 0.36 0.00 -1.14 0.00 0.00 41.12 40.76 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 0.14 -3.22 2.11 1.44 -1.26 -4.96 115.22 109.47 1fne n HIS 143 Ca 0.00 -0.07 -0.19 0.00 -2.01 0.00 0.00 57.72 55.44 1fne n HIS 143 Cb 0.00 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.12 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 -1.78 3.35 0.35 2.39 1.43 -1.26 -4.98 118.68 118.18 1fne s LEU 144 Ca 0.34 -0.69 0.09 0.00 -1.03 0.00 0.00 54.13 52.84 1fne s LEU 144 Cb 0.20 -2.09 -0.06 0.00 0.03 0.00 0.00 46.19 44.27 1fne s LEU 144 CO 0.30 -0.94 -0.01 -0.36 0.23 0.00 0.00 176.35 175.58 1fne s PHE 145 N -2.51 2.51 0.16 0.29 0.40 0.41 -3.35 117.98 115.89 1fne s PHE 145 Ca 0.53 -0.48 -0.00 0.00 -0.60 0.00 0.00 56.93 56.38 1fne s PHE 145 Cb -0.07 -1.51 -0.04 0.00 0.51 0.00 0.00 43.02 41.91 1fne s PHE 145 CO 0.32 0.49 0.07 -0.98 0.70 0.00 0.00 175.22 175.82 1fne s ARG 146 N -3.70 1.05 -0.09 0.44 1.70 -0.61 -2.00 118.95 115.75 1fne s ARG 146 Ca 0.35 -1.52 -0.30 0.00 -0.47 0.00 0.00 55.73 53.78 1fne s ARG 146 Cb 0.02 0.13 0.09 0.00 -0.57 0.00 0.00 34.95 34.62 1fne s ARG 146 CO 0.19 -0.27 0.77 0.21 -1.08 0.00 0.00 175.30 175.12 1fne s LYS 147 N -4.05 0.91 -0.07 3.89 2.20 0.43 -0.91 119.74 122.14 1fne s LYS 147 Ca 0.28 0.27 0.05 0.00 -0.36 0.00 0.00 55.97 56.22 1fne s LYS 147 Cb 0.07 0.43 -0.01 0.00 -1.51 0.00 0.00 37.83 36.82 1fne s LYS 147 CO 0.05 -0.27 -0.23 -0.06 -0.36 0.00 0.00 175.35 174.47 1fne s PHE 148 N -1.06 2.35 0.02 4.03 0.08 -1.26 -1.46 117.98 120.68 1fne s PHE 148 Ca -0.08 -0.77 0.08 0.00 0.12 0.00 0.00 56.93 56.28 1fne s PHE 148 Cb -0.00 -1.56 -0.02 0.00 -0.57 0.00 0.00 43.02 40.87 1fne s PHE 148 CO 0.07 -0.26 -0.24 -1.01 -0.10 0.00 0.00 175.22 173.67 1fne s HIS 149 N 0.01 2.16 0.07 0.36 3.76 -0.55 -1.54 115.29 119.56 1fne s HIS 149 Ca -0.08 -0.40 0.06 0.00 -0.15 0.00 0.00 55.06 54.49 1fne s HIS 149 Cb -0.15 -1.33 -0.03 0.00 1.11 0.00 0.00 32.58 32.19 1fne s HIS 149 CO 0.05 0.05 -0.17 0.71 -0.85 0.00 0.00 174.74 174.54 1fne s TYR 150 N -0.71 1.42 -0.08 1.40 2.02 -0.21 -0.49 117.35 120.71 1fne s TYR 150 Ca 0.10 -0.43 -0.03 0.00 -0.37 0.00 0.00 57.07 56.34 1fne s TYR 150 Cb -0.09 -0.80 0.04 0.00 -0.40 0.00 0.00 41.96 40.70 1fne s TYR 150 CO 0.01 0.10 0.09 -1.17 -1.57 0.00 0.00 175.55 173.01 1fne s LEU 151 N -1.67 0.13 0.16 -1.29 2.96 -0.40 -2.14 118.68 116.42 1fne s LEU 151 Ca 0.02 -0.01 -0.30 0.00 -0.22 0.00 0.00 54.13 53.61 1fne s LEU 151 Cb -0.10 -0.06 -0.07 0.00 0.50 0.00 0.00 46.19 46.46 1fne s LEU 151 CO 0.03 -0.27 1.08 -0.89 -1.32 0.00 0.00 176.35 174.98 1fne s THR 152 N 2.19 3.97 0.12 3.68 2.01 -0.34 0.24 115.64 127.52 1fne s THR 152 Ca 0.04 1.68 -0.12 0.00 0.31 0.00 0.00 61.69 63.60 1fne s THR 152 Cb -0.13 -4.07 0.01 0.00 0.01 0.00 0.00 72.50 68.32 1fne s THR 152 CO -0.05 0.28 0.31 0.72 -0.69 0.00 0.00 174.62 175.19 1fne s PHE 153 N -0.15 0.05 -0.31 4.92 -0.71 -0.47 -4.92 117.98 116.40 1fne s PHE 153 Ca 0.49 -0.43 -0.06 0.00 -1.04 0.00 0.00 56.93 55.90 1fne s PHE 153 Cb -0.28 0.09 0.03 0.00 -1.21 0.00 0.00 43.02 41.64 1fne s PHE 153 CO 0.34 -0.66 0.08 -1.17 -1.34 0.00 0.00 175.22 172.46 1fne s LEU 154 N -2.86 4.05 -0.25 -1.99 2.96 -1.26 -0.78 118.68 118.55 1fne s LEU 154 Ca 0.07 -0.98 -0.38 0.00 -0.22 0.00 0.00 54.13 52.61 1fne s LEU 154 Cb 0.03 -1.85 -0.14 0.00 0.50 0.00 0.00 46.19 44.73 1fne s LEU 154 CO -0.09 -0.26 1.85 -2.65 -1.32 0.00 0.00 176.35 173.88 1fne n PRO 155 N 4.81 1.38 -3.95 0.98 -0.02 -1.26 -4.89 135.00 132.05 1fne n PRO 155 Ca -0.13 0.49 -0.16 0.00 -2.02 0.00 0.00 63.50 61.68 1fne n PRO 155 Cb 0.46 -2.28 -0.15 0.00 -0.02 0.00 0.00 33.50 31.51 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 4.22 0.34 0.23 2.55 0.15 -1.26 -3.19 113.70 116.74 1fne s SER 156 Ca 0.99 -0.03 0.20 0.00 0.70 0.00 0.00 55.95 57.81 1fne s SER 156 Cb -0.96 -0.14 0.93 0.00 -1.71 0.00 0.00 66.02 64.15 1fne s SER 156 CO 0.60 -0.05 1.61 0.35 1.20 0.00 0.00 173.24 176.96 1fne n THR 157 N 3.70 1.01 0.01 6.45 -2.24 -1.26 -2.74 114.28 119.21 1fne n THR 157 Ca -0.21 0.43 0.06 0.00 -2.27 0.00 0.00 64.05 62.05 1fne n THR 157 Cb 0.54 -1.37 -0.11 0.00 -2.10 0.00 0.00 70.33 67.28 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 -2.12 0.36 -4.83 3.42 8.00 -1.26 -4.86 116.55 115.26 1fne n ASP 158 Ca 0.01 0.15 -0.32 0.00 0.71 0.00 0.00 54.79 55.33 1fne n ASP 158 Cb 0.14 1.14 -0.06 0.00 -0.02 0.00 0.00 41.12 42.32 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 -5.10 6.80 -0.01 -2.24 1.01 -1.11 -5.06 116.67 110.96 1fne s ASP 159 Ca -0.06 1.56 0.00 0.00 0.71 0.00 0.00 52.55 54.76 1fne s ASP 159 Cb 0.11 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.55 1fne s ASP 159 CO 0.85 -0.40 -0.01 0.72 0.21 0.00 0.00 175.17 176.55 1fne s PHE 160 N -2.28 0.12 0.36 4.23 -0.71 -1.26 -4.13 117.98 114.31 1fne s PHE 160 Ca 0.59 -0.00 0.09 0.00 -1.04 0.00 0.00 56.93 56.57 1fne s PHE 160 Cb -0.10 -0.12 -0.06 0.00 -1.21 0.00 0.00 43.02 41.53 1fne s PHE 160 CO 0.20 -0.02 -0.02 0.71 -1.34 0.00 0.00 175.22 174.75 1fne s TYR 161 N 0.18 2.49 -0.11 3.49 1.51 0.27 -0.59 117.35 124.59 1fne s TYR 161 Ca -0.01 -0.50 -0.12 0.00 -1.01 0.00 0.00 57.07 55.43 1fne s TYR 161 Cb -0.03 -1.51 0.03 0.00 -0.11 0.00 0.00 41.96 40.34 1fne s TYR 161 CO -0.01 0.50 0.33 -0.51 -1.11 0.00 0.00 175.55 174.75 1fne s ASP 162 N -3.69 -0.33 -0.27 2.29 1.01 -0.19 -0.90 116.67 114.59 1fne s ASP 162 Ca 0.34 0.60 -0.00 0.00 0.71 0.00 0.00 52.55 54.20 1fne s ASP 162 Cb 0.02 0.64 0.05 0.00 1.01 0.00 0.00 42.92 44.64 1fne s ASP 162 CO 0.18 -0.15 -0.05 0.00 0.21 0.00 0.00 175.17 175.35 1fne s GLU 164 N 1.22 3.91 -0.11 0.00 2.12 -0.45 -1.33 118.70 124.06 1fne s GLU 164 Ca -0.05 -0.36 0.03 0.00 0.36 0.00 0.00 54.97 54.95 1fne s GLU 164 Cb -0.19 -3.39 -0.00 0.00 0.26 0.00 0.00 34.13 30.81 1fne s GLU 164 CO -0.03 0.03 -0.21 0.08 -0.54 0.00 0.00 175.26 174.59 1fne s VAL 165 N 1.08 2.35 -0.01 3.70 1.01 0.12 -0.98 120.40 127.67 1fne s VAL 165 Ca 0.05 -0.92 0.08 0.00 0.00 0.00 0.00 61.98 61.20 1fne s VAL 165 Cb -0.14 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 1fne s VAL 165 CO 0.04 0.55 -0.25 -0.62 0.00 0.00 0.00 175.10 174.82 1fne s ASP 166 N 0.32 3.17 -0.07 3.32 2.15 0.97 -0.54 116.67 125.99 1fne s ASP 166 Ca -0.16 -0.46 -0.25 0.00 0.43 0.00 0.00 52.55 52.12 1fne s ASP 166 Cb -0.17 -0.39 0.05 0.00 -0.30 0.00 0.00 42.92 42.12 1fne s ASP 166 CO 0.08 0.32 0.56 -2.28 -0.17 0.00 0.00 175.17 173.68 1fne s HIS 167 N -0.65 -0.53 -0.77 -5.34 5.65 -1.26 -1.15 115.29 111.25 1fne s HIS 167 Ca 0.10 0.97 0.04 0.00 0.25 0.00 0.00 55.06 56.43 1fne s HIS 167 Cb -0.10 0.29 0.21 0.00 -1.18 0.00 0.00 32.58 31.80 1fne s HIS 167 CO -0.00 -0.50 1.08 0.91 -0.65 0.00 0.00 174.74 175.58 1fne n TRP 168 N 1.34 0.13 0.89 3.88 7.02 -1.26 -1.04 117.44 128.41 1fne n TRP 168 Ca -0.19 0.07 0.12 0.00 -1.02 0.00 0.00 57.50 56.48 1fne n TRP 168 Cb 0.57 -0.57 0.20 0.00 -2.42 0.00 0.00 31.31 29.08 1fne n TRP 168 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1fne n GLY 169 N -1.43 -1.26 3.90 6.99 0.00 -1.26 -4.87 105.19 107.26 1fne n GLY 169 Ca -0.00 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.29 4.37 0.11 0.99 1.43 -0.20 -4.34 118.68 117.75 1fne s LEU 170 Ca 0.09 0.38 -0.14 0.00 -1.03 0.00 0.00 54.13 53.43 1fne s LEU 170 Cb 0.16 -2.65 -0.06 0.00 0.03 0.00 0.00 46.19 43.67 1fne s LEU 170 CO 0.72 0.25 1.46 -0.33 0.23 0.00 0.00 176.35 178.69 1fne h GLU 171 N 3.79 0.75 -4.05 1.70 5.08 -1.91 -3.46 114.58 116.48 1fne h GLU 171 Ca -0.49 -0.36 -0.11 0.00 -1.00 0.00 0.00 59.36 57.40 1fne h GLU 171 Cb 1.19 -0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.28 1fne h GLU 171 CO 0.69 0.98 -0.57 -2.00 -1.00 0.00 0.00 179.01 177.11 1fne s GLU 172 N -4.50 0.66 0.32 2.33 2.12 -1.26 -5.13 118.70 113.24 1fne s GLU 172 Ca -0.12 -1.06 -0.28 0.00 0.36 0.00 0.00 54.97 53.87 1fne s GLU 172 Cb 0.09 0.25 -0.13 0.00 0.26 0.00 0.00 34.13 34.60 1fne s GLU 172 CO 0.83 -0.16 1.18 -2.30 -0.54 0.00 0.00 175.26 174.28 1fne n PRO 173 N 0.21 1.81 -3.50 4.30 -0.02 -1.26 -4.94 135.00 131.60 1fne n PRO 173 Ca -0.15 0.64 -0.38 0.00 -2.02 0.00 0.00 63.50 61.58 1fne n PRO 173 Cb 0.61 -2.14 -0.06 0.00 -0.02 0.00 0.00 33.50 31.89 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 -0.39 4.42 -0.20 2.45 2.96 0.30 -4.91 118.68 123.31 1fne s LEU 174 Ca 0.57 0.86 -0.01 0.00 -0.22 0.00 0.00 54.13 55.33 1fne s LEU 174 Cb -0.63 -2.55 0.06 0.00 0.50 0.00 0.00 46.19 43.57 1fne s LEU 174 CO 0.61 0.26 -0.01 -0.60 -1.32 0.00 0.00 176.35 175.29 1fne s ARG 175 N -0.67 1.11 -0.29 1.98 3.52 -1.26 0.11 118.95 123.45 1fne s ARG 175 Ca 0.23 -0.63 -0.12 0.00 -0.13 0.00 0.00 55.73 55.07 1fne s ARG 175 Cb -0.16 -2.25 -0.04 0.00 -1.56 0.00 0.00 34.95 30.94 1fne s ARG 175 CO 0.11 -0.59 0.23 0.15 -0.81 0.00 0.00 175.30 174.39 1fne s LYS 176 N 1.66 3.87 0.52 5.12 -0.14 -0.44 -4.90 119.74 125.43 1fne s LYS 176 Ca -0.02 -0.33 -0.14 0.00 -1.36 0.00 0.00 55.97 54.11 1fne s LYS 176 Cb -0.17 -3.69 -0.07 0.00 -1.68 0.00 0.00 37.83 32.22 1fne s LYS 176 CO -0.07 -0.25 0.96 -1.58 -0.76 0.00 0.00 175.35 173.66 1fne s HIS 177 N 1.80 3.50 -0.22 3.18 2.46 -1.26 -1.60 115.29 123.15 1fne s HIS 177 Ca 0.08 1.36 -0.26 0.00 0.47 0.00 0.00 55.06 56.71 1fne s HIS 177 Cb -0.16 -2.72 0.07 0.00 -0.13 0.00 0.00 32.58 29.64 1fne s HIS 177 CO 0.11 -0.40 0.71 -0.46 -2.47 0.00 0.00 174.74 172.22 1fne s TRP 178 N -2.72 -0.76 -0.10 3.88 -0.00 -0.08 -4.90 118.94 114.27 1fne s TRP 178 Ca 0.57 1.75 -0.30 0.00 -0.00 0.00 0.00 56.10 58.11 1fne s TRP 178 Cb -0.10 0.30 0.09 0.00 -0.00 0.00 0.00 33.47 33.75 1fne s TRP 178 CO 0.37 -0.42 0.78 -1.83 -0.00 0.00 0.00 176.95 175.84 1fne s GLU 179 N 0.05 0.90 0.35 5.86 -1.05 -1.26 0.95 118.70 124.50 1fne s GLU 179 Ca -0.02 0.29 -0.27 0.00 -0.15 0.00 0.00 54.97 54.82 1fne s GLU 179 Cb -0.04 0.43 -0.12 0.00 -0.44 0.00 0.00 34.13 33.96 1fne s GLU 179 CO 0.03 -0.27 1.20 0.34 0.95 0.00 0.00 175.26 177.51 1fne n PHE 180 N 1.03 1.94 -3.80 4.83 7.35 -1.26 -4.98 117.46 122.57 1fne n PHE 180 Ca -0.16 0.57 -0.30 0.00 -0.76 0.00 0.00 57.45 56.80 1fne n PHE 180 Cb 0.57 -2.36 -0.14 0.00 0.35 0.00 0.00 39.48 37.90 1fne n PHE 180 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 1fne s GLU 181 N -1.88 1.27 0.00 -4.13 2.56 -1.26 -4.96 118.70 110.29 1fne s GLU 181 Ca 0.58 -1.84 0.15 0.00 0.00 0.00 0.00 54.97 53.86 1fne s GLU 181 Cb -0.58 -2.53 0.90 0.00 2.00 0.00 0.00 34.13 33.92 1fne s GLU 181 CO 0.61 -1.08 1.31 -0.85 -0.56 0.00 0.00 175.26 174.69