#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f0j s HIS 8 N 0.00 1.58 0.29 -1.77 -3.43 -1.26 -5.11 115.29 105.59 2f0j s HIS 8 Ca 0.00 -0.44 -0.13 0.00 -0.80 0.00 0.00 55.06 53.69 2f0j s HIS 8 Cb 0.00 -0.87 -0.08 0.00 -1.43 0.00 0.00 32.58 30.20 2f0j s HIS 8 CO 0.00 0.15 0.67 0.15 -2.00 0.00 0.00 174.74 173.72 2f0j s LYS 9 N -1.88 3.93 0.04 -0.38 1.02 -1.26 -4.38 119.74 116.83 2f0j s LYS 9 Ca 0.04 0.53 0.04 0.00 0.02 0.00 0.00 55.97 56.59 2f0j s LYS 9 Cb -0.10 -2.50 -0.02 0.00 -0.52 0.00 0.00 37.83 34.69 2f0j s LYS 9 CO 0.04 0.21 -0.11 -1.21 -0.92 0.00 0.00 175.35 173.36 2f0j s GLU 10 N -2.95 0.70 0.56 1.68 2.02 0.11 -4.95 118.70 115.87 2f0j s GLU 10 Ca 0.52 -0.72 -0.16 0.00 0.02 0.00 0.00 54.97 54.63 2f0j s GLU 10 Cb -0.11 -0.62 -0.05 0.00 0.10 0.00 0.00 34.13 33.45 2f0j s GLU 10 CO 0.19 0.14 1.03 -1.25 0.02 0.00 0.00 175.26 175.39 2f0j s PRO 11 N -1.27 3.59 0.21 0.39 0.04 -1.26 0.06 135.00 136.77 2f0j s PRO 11 Ca -0.03 1.08 -0.16 0.00 0.04 0.00 0.00 61.00 61.93 2f0j s PRO 11 Cb -0.08 -2.08 0.02 0.00 0.04 0.00 0.00 34.50 32.40 2f0j s PRO 11 CO 0.01 -0.57 0.51 0.00 0.04 0.00 0.00 177.00 176.99 2f0j s ALA 12 N -2.55 -0.73 -0.07 8.56 0.00 -0.73 -4.65 121.76 121.59 2f0j s ALA 12 Ca 0.61 -0.43 0.05 0.00 0.00 0.00 0.00 51.96 52.19 2f0j s ALA 12 Cb -0.13 0.90 -0.00 0.00 0.00 0.00 0.00 23.12 23.88 2f0j s ALA 12 CO 0.35 -0.82 -0.22 0.99 0.00 0.00 0.00 175.76 176.06 2f0j s THR 13 N -3.92 1.84 0.29 0.00 2.01 -0.72 -4.20 115.64 110.94 2f0j s THR 13 Ca 0.13 -0.93 -0.30 0.00 0.31 0.00 0.00 61.69 60.90 2f0j s THR 13 Cb -0.01 -1.58 -0.11 0.00 0.01 0.00 0.00 72.50 70.81 2f0j s THR 13 CO 0.01 0.52 1.53 -0.22 -0.69 0.00 0.00 174.62 175.77 2f0j s LEU 14 N 0.09 4.35 -0.14 4.42 2.96 -1.26 -0.37 118.68 128.73 2f0j s LEU 14 Ca -0.09 2.89 -0.09 0.00 -0.22 0.00 0.00 54.13 56.62 2f0j s LEU 14 Cb -0.15 -3.64 -0.06 0.00 0.50 0.00 0.00 46.19 42.84 2f0j s LEU 14 CO 0.05 -0.85 -0.21 -0.38 -1.32 0.00 0.00 176.35 173.64 2f0j n ILE 15 N 1.94 1.02 -3.60 6.68 5.41 0.29 -4.78 119.36 126.34 2f0j n ILE 15 Ca 0.07 -0.12 -0.12 0.00 1.00 0.00 0.00 62.75 63.58 2f0j n ILE 15 Cb 0.38 -1.80 -0.06 0.00 -0.71 0.00 0.00 39.64 37.45 2f0j n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2f0j s LYS 16 N -2.36 0.68 0.15 0.38 2.20 -0.71 -5.01 119.74 115.08 2f0j s LYS 16 Ca -0.22 0.44 -0.28 0.00 -0.36 0.00 0.00 55.97 55.55 2f0j s LYS 16 Cb 0.07 0.33 -0.07 0.00 -1.51 0.00 0.00 37.83 36.65 2f0j s LYS 16 CO 0.28 -0.16 0.89 0.00 -0.36 0.00 0.00 175.35 176.01 2f0j s ALA 17 N -0.45 3.33 -0.15 3.13 0.00 -1.26 -0.03 121.76 126.32 2f0j s ALA 17 Ca -0.02 0.51 0.06 0.00 0.00 0.00 0.00 51.96 52.51 2f0j s ALA 17 Cb -0.03 -3.16 -0.13 0.00 0.00 0.00 0.00 23.12 19.80 2f0j s ALA 17 CO 0.00 0.12 -0.07 -0.89 0.00 0.00 0.00 175.76 174.92 2f0j n ILE 18 N 2.17 0.95 -3.84 0.00 5.41 -0.21 -4.91 119.36 118.92 2f0j n ILE 18 Ca -0.01 -0.45 -0.05 0.00 1.00 0.00 0.00 62.75 63.24 2f0j n ILE 18 Cb 0.49 -0.92 0.02 0.00 -0.71 0.00 0.00 39.64 38.51 2f0j n ILE 18 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2f0j s ASP 19 N -5.23 -0.02 0.42 4.38 2.15 -0.46 -4.96 116.67 112.95 2f0j s ASP 19 Ca -0.16 -0.83 0.14 0.00 0.43 0.00 0.00 52.55 52.13 2f0j s ASP 19 Cb 0.05 0.64 1.01 0.00 -0.30 0.00 0.00 42.92 44.33 2f0j s ASP 19 CO 0.45 -1.27 1.95 1.23 -0.17 0.00 0.00 175.17 177.36 2f0j h GLY 20 N 2.00 0.68 -0.58 2.66 0.00 -1.83 -2.73 103.07 103.26 2f0j h GLY 20 Ca -0.29 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2f0j h GLY 20 CO 0.36 0.09 0.00 2.09 0.00 0.00 0.00 176.54 179.08 2f0j n ASP 21 N -4.48 2.10 -3.75 0.19 3.85 -1.26 -4.78 116.55 108.42 2f0j n ASP 21 Ca 0.12 -1.71 -0.14 0.00 -0.71 0.00 0.00 54.79 52.35 2f0j n ASP 21 Cb 0.43 -0.07 -0.15 0.00 -1.35 0.00 0.00 41.12 39.98 2f0j n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 2f0j s THR 22 N -0.80 -0.06 0.02 2.12 2.01 -1.03 -0.88 115.64 117.01 2f0j s THR 22 Ca 0.10 0.21 0.02 0.00 0.31 0.00 0.00 61.69 62.32 2f0j s THR 22 Cb 0.06 -0.18 -0.01 0.00 0.01 0.00 0.00 72.50 72.38 2f0j s THR 22 CO 0.08 0.08 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.34 2f0j s VAL 23 N 1.18 0.45 -0.22 3.82 1.01 -0.79 -1.05 120.40 124.80 2f0j s VAL 23 Ca -0.09 -0.67 -0.14 0.00 0.00 0.00 0.00 61.98 61.08 2f0j s VAL 23 Cb -0.12 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 2f0j s VAL 23 CO -0.05 -0.16 0.34 -0.75 0.00 0.00 0.00 175.10 174.47 2f0j s LYS 24 N -0.91 4.13 0.10 2.72 2.20 0.96 -0.58 119.74 128.37 2f0j s LYS 24 Ca -0.05 0.07 0.06 0.00 -0.36 0.00 0.00 55.97 55.69 2f0j s LYS 24 Cb -0.06 -3.55 -0.03 0.00 -1.51 0.00 0.00 37.83 32.67 2f0j s LYS 24 CO 0.00 -0.04 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.29 2f0j s LEU 25 N 1.32 2.34 -0.41 5.43 1.43 -0.05 -0.55 118.68 128.20 2f0j s LEU 25 Ca 0.16 -0.72 -0.22 0.00 -1.03 0.00 0.00 54.13 52.31 2f0j s LEU 25 Cb -0.15 -0.63 0.02 0.00 0.03 0.00 0.00 46.19 45.46 2f0j s LEU 25 CO 0.07 -0.07 0.73 -0.32 0.23 0.00 0.00 176.35 176.99 2f0j s MET 26 N -2.21 3.52 -0.09 1.70 -2.45 0.50 -0.36 119.30 119.91 2f0j s MET 26 Ca 0.05 -0.02 0.02 0.00 -1.25 0.00 0.00 55.69 54.50 2f0j s MET 26 Cb -0.08 -3.88 0.01 0.00 1.25 0.00 0.00 34.83 32.13 2f0j s MET 26 CO 0.03 -0.95 -0.16 -0.47 1.05 0.00 0.00 175.02 174.52 2f0j s TYR 27 N 3.04 1.88 -1.76 4.11 5.04 0.84 -1.76 117.35 128.74 2f0j s TYR 27 Ca 0.28 -0.80 -0.19 0.00 -2.44 0.00 0.00 57.07 53.92 2f0j s TYR 27 Cb -0.13 -1.34 0.18 0.00 0.35 0.00 0.00 41.96 41.02 2f0j s TYR 27 CO 0.19 -0.39 0.66 1.63 -1.34 0.00 0.00 175.55 176.30 2f0j n LYS 28 N 3.94 -2.13 -0.32 4.97 4.76 -1.26 -0.89 118.16 127.23 2f0j n LYS 28 Ca -0.20 0.27 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 2f0j n LYS 28 Cb 0.52 -4.86 0.00 0.00 -1.84 0.00 0.00 35.03 28.85 2f0j n LYS 28 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2f0j n GLY 29 N -1.35 1.02 3.44 0.72 0.00 -1.26 -5.05 105.19 102.71 2f0j n GLY 29 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 2f0j n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2f0j s GLN 30 N -0.50 2.21 0.21 1.61 1.11 -0.07 -5.10 119.66 119.14 2f0j s GLN 30 Ca 0.00 -0.88 -0.30 0.00 0.01 0.00 0.00 55.36 54.19 2f0j s GLN 30 Cb 0.00 -2.22 -0.08 0.00 -1.01 0.00 0.00 33.01 29.69 2f0j s GLN 30 CO 0.00 0.57 1.20 -1.25 0.01 0.00 0.00 175.29 175.82 2f0j s PRO 31 N -1.07 4.49 -0.07 2.91 0.04 -1.26 -0.11 135.00 139.94 2f0j s PRO 31 Ca 0.13 1.91 -0.09 0.00 0.04 0.00 0.00 61.00 62.99 2f0j s PRO 31 Cb -0.10 -3.22 0.02 0.00 0.04 0.00 0.00 34.50 31.24 2f0j s PRO 31 CO 0.03 -0.07 0.22 1.41 0.04 0.00 0.00 177.00 178.63 2f0j s MET 32 N -0.50 0.34 -0.05 4.56 1.75 0.52 -4.92 119.30 121.00 2f0j s MET 32 Ca 0.52 0.17 -0.23 0.00 -1.25 0.00 0.00 55.69 54.90 2f0j s MET 32 Cb -0.33 0.16 -0.04 0.00 2.84 0.00 0.00 34.83 37.45 2f0j s MET 32 CO 0.39 -0.06 0.68 0.99 -0.65 0.00 0.00 175.02 176.37 2f0j s THR 33 N -0.23 5.00 -0.11 10.11 2.01 -1.26 -0.87 115.64 130.28 2f0j s THR 33 Ca -0.03 1.41 -0.01 0.00 0.31 0.00 0.00 61.69 63.37 2f0j s THR 33 Cb -0.03 -4.02 -0.03 0.00 0.01 0.00 0.00 72.50 68.43 2f0j s THR 33 CO 0.01 0.29 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.81 2f0j s PHE 34 N 0.54 2.97 -0.14 4.92 0.40 0.25 -0.71 117.98 126.21 2f0j s PHE 34 Ca 0.36 -0.14 -0.13 0.00 -0.60 0.00 0.00 56.93 56.42 2f0j s PHE 34 Cb -0.18 -1.82 -0.05 0.00 0.51 0.00 0.00 43.02 41.48 2f0j s PHE 34 CO 0.18 0.16 0.29 0.50 0.70 0.00 0.00 175.22 177.04 2f0j s ARG 35 N -0.28 4.12 -0.04 0.44 6.06 0.32 -1.88 118.95 127.69 2f0j s ARG 35 Ca 0.04 0.10 -0.30 0.00 -2.50 0.00 0.00 55.73 53.08 2f0j s ARG 35 Cb -0.13 -3.37 -0.05 0.00 0.06 0.00 0.00 34.95 31.46 2f0j s ARG 35 CO 0.02 0.36 1.41 -0.51 -2.50 0.00 0.00 175.30 174.08 2f0j s LEU 36 N 0.09 4.29 0.46 -0.88 1.43 -0.06 -2.96 118.68 121.06 2f0j s LEU 36 Ca 0.17 2.05 -0.24 0.00 -1.03 0.00 0.00 54.13 55.08 2f0j s LEU 36 Cb -0.13 -3.55 -0.07 0.00 0.03 0.00 0.00 46.19 42.46 2f0j s LEU 36 CO 0.05 -0.75 1.33 -0.76 0.23 0.00 0.00 176.35 176.45 2f0j s LEU 37 N 2.82 4.06 0.00 1.79 1.43 -0.05 -3.78 118.68 124.96 2f0j s LEU 37 Ca 0.63 2.71 0.00 0.00 -1.03 0.00 0.00 54.13 56.44 2f0j s LEU 37 Cb -0.30 -4.06 0.00 0.00 0.03 0.00 0.00 46.19 41.87 2f0j s LEU 37 CO 0.25 -1.14 0.00 0.18 0.23 0.00 0.00 176.35 175.87 2f0j n LEU 38 N -0.35 0.51 -4.13 1.79 4.77 -1.26 -4.90 117.00 113.43 2f0j n LEU 38 Ca 0.06 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.87 2f0j n LEU 38 Cb 0.44 -1.45 -0.12 0.00 -2.33 0.00 0.00 43.42 39.95 2f0j n LEU 38 CO 0.55 -0.49 -0.45 0.68 -1.33 0.00 0.00 177.39 176.35 2f0j s VAL 39 N -1.58 0.96 -0.25 4.08 -7.23 -1.25 -0.67 120.40 114.46 2f0j s VAL 39 Ca 0.00 -1.10 -0.02 0.00 -1.81 0.00 0.00 61.98 59.05 2f0j s VAL 39 Cb 0.00 -0.92 0.03 0.00 0.56 0.00 0.00 36.38 36.05 2f0j s VAL 39 CO 0.00 -0.16 -0.06 -1.81 -0.31 0.00 0.00 175.10 172.75 2f0j s ASP 40 N -1.42 4.30 0.23 4.85 1.01 0.20 -4.74 116.67 121.09 2f0j s ASP 40 Ca -0.02 -0.87 0.03 0.00 0.71 0.00 0.00 52.55 52.40 2f0j s ASP 40 Cb -0.09 -1.66 -0.03 0.00 1.01 0.00 0.00 42.92 42.15 2f0j s ASP 40 CO 0.01 -0.13 0.37 0.42 0.21 0.00 0.00 175.17 176.06 2f0j s THR 41 N 1.32 5.25 0.56 -1.27 -4.23 -1.26 -0.84 115.64 115.16 2f0j s THR 41 Ca 0.00 -0.76 -0.21 0.00 -1.18 0.00 0.00 61.69 59.54 2f0j s THR 41 Cb -0.17 -3.81 -0.04 0.00 1.34 0.00 0.00 72.50 69.82 2f0j s THR 41 CO -0.05 -0.28 1.33 -2.84 -0.54 0.00 0.00 174.62 172.24 2f0j s PRO 42 N -3.75 3.10 0.17 3.99 0.02 -1.26 -4.96 135.00 132.30 2f0j s PRO 42 Ca 0.36 2.15 0.08 0.00 0.02 0.00 0.00 61.00 63.61 2f0j s PRO 42 Cb -0.10 -2.19 -0.04 0.00 0.02 0.00 0.00 34.50 32.19 2f0j s PRO 42 CO 0.30 -1.20 -0.07 -1.21 -0.33 0.00 0.00 177.00 174.49 2f0j s GLU 43 N -2.98 2.15 0.11 5.54 2.02 -1.26 -4.39 118.70 119.89 2f0j s GLU 43 Ca 0.73 -1.19 0.22 0.00 0.02 0.00 0.00 54.97 54.75 2f0j s GLU 43 Cb -0.39 -2.23 -0.14 0.00 0.10 0.00 0.00 34.13 31.48 2f0j s GLU 43 CO 0.45 0.45 0.81 0.25 0.02 0.00 0.00 175.26 177.24 2f0j n THR 44 N 0.10 0.37 -0.07 3.63 -2.24 -1.26 0.49 114.28 115.30 2f0j n THR 44 Ca -0.11 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 2f0j n THR 44 Cb 0.55 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 2f0j n THR 44 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2f0j n LYS 45 N -2.50 3.12 -4.40 -0.78 4.01 -1.22 -3.90 118.16 112.49 2f0j n LYS 45 Ca -0.02 0.00 -0.23 0.00 -0.51 0.00 0.00 58.31 57.55 2f0j n LYS 45 Cb 0.56 0.00 -0.11 0.00 -0.51 0.00 0.00 35.03 34.97 2f0j n LYS 45 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 2f0j s HIS 46 N 4.61 2.07 0.11 2.13 3.76 -1.26 -4.33 115.29 122.37 2f0j s HIS 46 Ca 0.00 -0.41 -0.06 0.00 -0.15 0.00 0.00 55.06 54.43 2f0j s HIS 46 Cb 0.00 -0.98 -0.05 0.00 1.11 0.00 0.00 32.58 32.66 2f0j s HIS 46 CO 0.00 0.49 0.37 -1.25 -0.85 0.00 0.00 174.74 173.49 2f0j s PRO 47 N -3.07 3.65 0.00 8.40 0.04 -1.26 -5.03 135.00 137.73 2f0j s PRO 47 Ca 0.22 -0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.24 2f0j s PRO 47 Cb -0.05 -2.92 0.00 0.00 0.04 0.00 0.00 34.50 31.57 2f0j s PRO 47 CO 0.10 0.52 0.00 1.17 0.04 0.00 0.00 177.00 178.83 2f0j n LYS 48 N 0.44 0.00 -1.75 4.56 0.00 -1.26 -4.61 118.16 115.53 2f0j n LYS 48 Ca -0.05 0.00 -0.15 0.00 0.00 0.00 0.00 58.31 58.11 2f0j n LYS 48 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.51 2f0j n LYS 48 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2f0j n LYS 49 N 0.00 -1.57 0.00 1.64 5.02 -1.26 -4.34 118.16 117.65 2f0j n LYS 49 Ca 0.00 0.82 0.00 0.00 -2.02 0.00 0.00 58.31 57.11 2f0j n LYS 49 Cb 0.00 -5.20 0.00 0.00 -0.02 0.00 0.00 35.03 29.81 2f0j n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2f0j n GLY 50 N -0.47 1.65 3.34 0.72 0.00 -1.26 -4.67 105.19 104.51 2f0j n GLY 50 Ca -0.16 -0.36 -0.47 0.00 0.00 0.00 0.00 46.02 45.04 2f0j n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f0j s VAL 51 N 0.00 5.48 1.03 1.61 1.01 -1.25 -3.43 120.40 124.85 2f0j s VAL 51 Ca 0.00 -2.27 -0.13 0.00 0.00 0.00 0.00 61.98 59.59 2f0j s VAL 51 Cb 0.00 -4.49 0.21 0.00 0.00 0.00 0.00 36.38 32.10 2f0j s VAL 51 CO 0.00 -1.06 1.09 -1.61 0.00 0.00 0.00 175.10 173.51 2f0j s GLU 52 N 0.59 0.17 -0.07 2.72 2.02 0.18 -4.88 118.70 119.43 2f0j s GLU 52 Ca 0.18 0.51 -0.30 0.00 0.02 0.00 0.00 54.97 55.38 2f0j s GLU 52 Cb -0.12 -1.71 -0.04 0.00 0.10 0.00 0.00 34.13 32.36 2f0j s GLU 52 CO -0.08 -2.90 1.48 0.21 0.02 0.00 0.00 175.26 173.99 2f0j s LYS 53 N -4.92 4.22 0.00 1.61 2.47 -1.26 -1.56 119.74 120.30 2f0j s LYS 53 Ca 0.66 1.98 0.00 0.00 -1.56 0.00 0.00 55.97 57.05 2f0j s LYS 53 Cb -0.19 -3.82 0.00 0.00 -1.46 0.00 0.00 37.83 32.35 2f0j s LYS 53 CO 0.58 -0.74 0.00 0.66 0.16 0.00 0.00 175.35 176.01 2f0j n TYR 54 N 6.56 0.00 0.18 4.03 4.01 -1.26 -4.83 117.16 125.85 2f0j n TYR 54 Ca 0.15 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.75 2f0j n TYR 54 Cb 0.44 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.39 2f0j n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2f0j h GLY 55 N 0.00 -0.40 1.57 2.72 0.00 -1.49 0.25 103.07 105.73 2f0j h GLY 55 Ca 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.43 2f0j h GLY 55 CO 0.00 -0.15 0.03 -2.55 0.00 0.00 0.00 176.54 173.88 2f0j h PRO 56 N -0.40 0.54 0.10 4.80 0.11 -1.89 0.62 132.00 135.88 2f0j h PRO 56 Ca -0.04 -0.10 -0.00 0.00 0.11 0.00 0.00 66.00 65.96 2f0j h PRO 56 Cb 0.30 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.33 2f0j h PRO 56 CO 0.06 0.54 -0.05 0.93 -0.21 0.00 0.00 178.00 179.28 2f0j h GLU 57 N 0.52 -0.13 -0.78 1.05 3.07 -1.88 0.16 114.58 116.58 2f0j h GLU 57 Ca 0.12 0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.94 2f0j h GLU 57 Cb 0.29 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.19 2f0j h GLU 57 CO 0.01 -0.03 0.31 0.00 -1.40 0.00 0.00 179.01 177.90 2f0j h ALA 58 N 0.70 1.02 -0.69 3.43 0.00 -0.22 -0.37 119.26 123.13 2f0j h ALA 58 Ca -0.01 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 2f0j h ALA 58 Cb 0.16 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2f0j h ALA 58 CO 0.02 0.64 0.17 1.03 0.00 0.00 0.00 179.25 181.11 2f0j h SER 59 N 1.14 1.05 0.67 0.00 0.87 -0.78 -2.14 113.55 114.36 2f0j h SER 59 Ca 0.26 -0.23 -0.11 0.00 -1.23 0.00 0.00 61.79 60.48 2f0j h SER 59 Cb 0.21 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 2f0j h SER 59 CO -0.02 1.01 -0.53 0.00 -0.53 0.00 0.00 176.83 176.76 2f0j h ALA 60 N 1.08 1.01 0.05 6.23 0.00 0.07 -2.73 119.26 124.98 2f0j h ALA 60 Ca 0.22 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2f0j h ALA 60 Cb 0.37 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2f0j h ALA 60 CO 0.00 0.66 -0.03 0.35 0.00 0.00 0.00 179.25 180.24 2f0j h PHE 61 N 0.00 -0.07 -0.17 0.00 3.57 -0.73 -0.70 116.94 118.84 2f0j h PHE 61 Ca -0.01 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.52 2f0j h PHE 61 Cb 1.00 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.74 2f0j h PHE 61 CO 0.00 0.25 0.03 1.15 -2.23 0.00 0.00 178.31 177.50 2f0j h THR 62 N -0.38 0.92 -0.02 4.41 2.02 -1.41 -1.12 112.91 117.32 2f0j h THR 62 Ca -0.01 -0.03 0.03 0.00 0.77 0.00 0.00 66.41 67.17 2f0j h THR 62 Cb 0.34 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 2f0j h THR 62 CO 0.01 0.02 -0.23 0.50 0.37 0.00 0.00 175.52 176.19 2f0j h LYS 63 N 0.09 -0.34 -0.84 6.66 3.64 -1.47 -0.88 116.57 123.44 2f0j h LYS 63 Ca 0.08 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.51 2f0j h LYS 63 Cb 0.08 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.93 2f0j h LYS 63 CO -0.11 -0.23 0.54 0.87 -2.27 0.00 0.00 179.45 178.25 2f0j h LYS 64 N -0.36 1.03 -0.41 1.90 1.57 -1.01 1.00 116.57 120.29 2f0j h LYS 64 Ca 0.07 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2f0j h LYS 64 Cb 0.45 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2f0j h LYS 64 CO -0.22 0.68 0.02 1.98 -0.57 0.00 0.00 179.45 181.34 2f0j h MET 65 N 1.07 0.71 0.06 3.15 4.05 -0.84 -1.57 114.93 121.56 2f0j h MET 65 Ca 0.33 -0.22 -0.24 0.00 -0.28 0.00 0.00 59.70 59.29 2f0j h MET 65 Cb -0.03 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.69 2f0j h MET 65 CO -0.10 0.78 -1.11 0.28 0.23 0.00 0.00 176.91 176.98 2f0j h VAL 66 N 0.54 1.61 -0.42 -5.77 2.07 -1.02 -3.27 116.25 110.00 2f0j h VAL 66 Ca 0.12 -3.24 -0.10 0.00 0.82 0.00 0.00 66.70 64.29 2f0j h VAL 66 Cb 0.45 2.89 -0.02 0.00 -1.52 0.00 0.00 31.29 33.09 2f0j h VAL 66 CO 0.02 0.94 -0.15 -0.33 0.02 0.00 0.00 177.57 178.06 2f0j h GLU 67 N 0.04 0.78 -0.36 1.57 5.08 -0.71 -2.95 114.58 118.02 2f0j h GLU 67 Ca -0.07 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2f0j h GLU 67 Cb 1.86 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 31.06 2f0j h GLU 67 CO 0.17 0.88 0.00 0.09 -1.00 0.00 0.00 179.01 179.15 2f0j n ASN 68 N -4.15 1.83 -4.84 1.42 5.03 -0.60 -4.92 115.26 109.04 2f0j n ASN 68 Ca 0.01 -2.02 -0.34 0.00 0.87 0.00 0.00 54.58 53.10 2f0j n ASN 68 Cb 0.39 -0.24 -0.06 0.00 -1.02 0.00 0.00 39.78 38.85 2f0j n ASN 68 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2f0j s ALA 69 N -1.57 3.41 0.09 5.41 0.00 -1.12 -4.97 121.76 123.00 2f0j s ALA 69 Ca 0.22 0.02 -0.14 0.00 0.00 0.00 0.00 51.96 52.06 2f0j s ALA 69 Cb 0.12 -2.72 -0.17 0.00 0.00 0.00 0.00 23.12 20.35 2f0j s ALA 69 CO 0.14 0.37 1.28 0.87 0.00 0.00 0.00 175.76 178.42 2f0j h LYS 70 N 2.79 0.74 -4.06 0.00 1.57 -1.91 -3.45 116.57 112.24 2f0j h LYS 70 Ca -0.48 -0.61 -0.44 0.00 -1.87 0.00 0.00 60.65 57.25 2f0j h LYS 70 Cb 1.18 0.13 -0.35 0.00 0.08 0.00 0.00 32.23 33.27 2f0j h LYS 70 CO 0.66 1.22 -0.78 0.15 -0.57 0.00 0.00 179.45 180.13 2f0j s LYS 71 N -3.71 0.98 -0.14 3.15 1.02 -1.26 -5.03 119.74 114.75 2f0j s LYS 71 Ca -0.11 -0.13 -0.05 0.00 0.02 0.00 0.00 55.97 55.70 2f0j s LYS 71 Cb 0.08 -1.00 -0.04 0.00 -0.52 0.00 0.00 37.83 36.35 2f0j s LYS 71 CO 0.89 -0.12 0.04 0.08 -0.92 0.00 0.00 175.35 175.33 2f0j s VAL 72 N 1.12 4.64 0.06 3.17 1.01 -1.26 -0.70 120.40 128.44 2f0j s VAL 72 Ca -0.08 -0.10 0.05 0.00 0.00 0.00 0.00 61.98 61.85 2f0j s VAL 72 Cb -0.14 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 2f0j s VAL 72 CO -0.01 0.53 -0.13 -1.61 0.00 0.00 0.00 175.10 173.88 2f0j s GLU 73 N -0.23 0.77 0.02 2.72 2.02 -0.13 -1.77 118.70 122.10 2f0j s GLU 73 Ca 0.07 -0.90 0.05 0.00 0.02 0.00 0.00 54.97 54.22 2f0j s GLU 73 Cb -0.12 -0.73 -0.03 0.00 0.10 0.00 0.00 34.13 33.34 2f0j s GLU 73 CO 0.02 0.16 -0.12 0.14 0.02 0.00 0.00 175.26 175.47 2f0j s VAL 74 N -1.25 3.22 -0.23 2.63 -7.23 0.11 -0.29 120.40 117.36 2f0j s VAL 74 Ca -0.03 -0.96 -0.01 0.00 -1.81 0.00 0.00 61.98 59.17 2f0j s VAL 74 Cb -0.10 -2.37 0.07 0.00 0.56 0.00 0.00 36.38 34.54 2f0j s VAL 74 CO 0.02 0.38 0.01 -0.70 -0.31 0.00 0.00 175.10 174.50 2f0j s GLU 75 N -1.38 1.06 0.56 4.82 2.12 -0.39 -0.71 118.70 124.78 2f0j s GLU 75 Ca 0.16 -0.77 -0.17 0.00 0.36 0.00 0.00 54.97 54.54 2f0j s GLU 75 Cb -0.11 -2.31 -0.05 0.00 0.26 0.00 0.00 34.13 31.92 2f0j s GLU 75 CO 0.06 -0.68 1.04 -0.06 -0.54 0.00 0.00 175.26 175.08 2f0j s PHE 76 N 1.62 3.06 0.00 5.30 0.40 -1.26 -1.19 117.98 125.91 2f0j s PHE 76 Ca -0.01 1.52 0.00 0.00 -0.60 0.00 0.00 56.93 57.84 2f0j s PHE 76 Cb -0.18 -2.99 0.00 0.00 0.51 0.00 0.00 43.02 40.37 2f0j s PHE 76 CO -0.10 -0.94 0.00 -3.47 0.70 0.00 0.00 175.22 171.41 2f0j n ASP 77 N -1.74 0.00 0.08 1.36 -0.08 -1.26 -4.70 116.55 110.21 2f0j n ASP 77 Ca 0.08 -0.40 0.13 0.00 -1.51 0.00 0.00 54.79 53.09 2f0j n ASP 77 Cb 0.53 0.00 0.35 0.00 2.34 0.00 0.00 41.12 44.34 2f0j n ASP 77 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2f0j n LYS 78 N -0.40 0.23 0.00 -0.67 5.02 -1.26 -4.92 118.16 116.16 2f0j n LYS 78 Ca 0.00 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 2f0j n LYS 78 Cb 0.00 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.28 2f0j n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2f0j n GLY 79 N 1.34 2.87 3.76 0.72 0.00 -1.26 -4.98 105.19 107.65 2f0j n GLY 79 Ca 0.05 -1.78 -0.38 0.00 0.00 0.00 0.00 46.02 43.91 2f0j n GLY 79 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2f0j s GLN 80 N 4.29 3.54 0.00 1.61 0.00 -1.26 -4.93 119.66 122.92 2f0j s GLN 80 Ca 0.00 2.08 0.18 0.00 -0.00 0.00 0.00 55.36 57.62 2f0j s GLN 80 Cb 0.00 -2.43 0.00 0.00 0.00 0.00 0.00 33.01 30.58 2f0j s GLN 80 CO 0.00 -0.82 0.92 0.54 0.00 0.00 0.00 175.29 175.93 2f0j n ARG 81 N -0.57 1.58 -4.11 9.60 1.74 -1.26 -4.82 116.66 118.82 2f0j n ARG 81 Ca 0.08 -0.89 -0.14 0.00 -0.77 0.00 0.00 57.85 56.13 2f0j n ARG 81 Cb 0.45 -1.32 -0.11 0.00 -1.02 0.00 0.00 32.46 30.46 2f0j n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2f0j s THR 82 N -2.00 0.71 0.02 0.55 -4.23 -1.26 -0.83 115.64 108.60 2f0j s THR 82 Ca 0.15 -1.30 0.00 0.00 -1.18 0.00 0.00 61.69 59.36 2f0j s THR 82 Cb 0.14 -0.92 0.00 0.00 1.34 0.00 0.00 72.50 73.07 2f0j s THR 82 CO 0.43 -0.44 0.02 -0.90 -0.54 0.00 0.00 174.62 173.19 2f0j n ASP 83 N 1.12 0.04 0.00 3.99 5.68 0.19 -4.90 116.55 122.67 2f0j n ASP 83 Ca -0.20 -1.03 0.08 0.00 -0.50 0.00 0.00 54.79 53.14 2f0j n ASP 83 Cb 0.56 -0.01 0.37 0.00 -1.14 0.00 0.00 41.12 40.89 2f0j n ASP 83 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 2f0j n LYS 84 N -1.04 0.07 -0.24 0.11 2.85 -1.26 -1.93 118.16 116.72 2f0j n LYS 84 Ca 0.00 0.19 0.12 0.00 -1.05 0.00 0.00 58.31 57.57 2f0j n LYS 84 Cb 0.01 -1.50 0.26 0.00 -0.65 0.00 0.00 35.03 33.15 2f0j n LYS 84 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2f0j n TYR 85 N -1.44 0.64 -0.59 5.58 4.02 -1.26 -4.89 117.16 119.21 2f0j n TYR 85 Ca 0.05 -0.32 0.00 0.00 -0.01 0.00 0.00 57.90 57.62 2f0j n TYR 85 Cb 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.50 2f0j n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2f0j n GLY 86 N 1.53 0.75 3.82 2.72 0.00 -0.81 -5.03 105.19 108.17 2f0j n GLY 86 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 2f0j n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2f0j s ARG 87 N -0.41 4.14 0.31 1.61 0.52 -1.26 -4.73 118.95 119.13 2f0j s ARG 87 Ca 0.00 0.67 -0.29 0.00 -0.52 0.00 0.00 55.73 55.59 2f0j s ARG 87 Cb 0.00 -3.12 -0.10 0.00 0.52 0.00 0.00 34.95 32.25 2f0j s ARG 87 CO 0.00 0.57 1.35 0.20 0.02 0.00 0.00 175.30 177.45 2f0j s GLY 88 N -1.33 2.84 -0.32 -3.53 0.00 0.11 -0.64 107.32 104.44 2f0j s GLY 88 Ca 0.33 1.30 -0.06 0.00 0.00 0.00 0.00 44.72 46.29 2f0j s GLY 88 CO 0.19 2.03 0.08 1.08 0.00 0.00 0.00 173.10 176.48 2f0j s LEU 89 N -1.47 4.14 0.27 0.66 1.43 -0.01 -0.52 118.68 123.18 2f0j s LEU 89 Ca 0.52 -1.07 -0.19 0.00 -1.03 0.00 0.00 54.13 52.35 2f0j s LEU 89 Cb -0.41 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 43.98 2f0j s LEU 89 CO 0.51 -0.29 0.65 0.00 0.23 0.00 0.00 176.35 177.46 2f0j s ALA 90 N 1.40 -0.98 -0.14 4.21 0.00 -1.15 -4.37 121.76 120.72 2f0j s ALA 90 Ca -0.01 -0.44 -0.19 0.00 0.00 0.00 0.00 51.96 51.32 2f0j s ALA 90 Cb -0.19 0.90 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 2f0j s ALA 90 CO 0.02 -0.98 0.54 0.71 0.00 0.00 0.00 175.76 176.04 2f0j s TYR 91 N -3.94 3.46 -0.09 0.00 2.02 -0.33 -0.87 117.35 117.60 2f0j s TYR 91 Ca 0.14 0.91 -0.01 0.00 -0.37 0.00 0.00 57.07 57.74 2f0j s TYR 91 Cb -0.04 -2.65 -0.03 0.00 -0.40 0.00 0.00 41.96 38.83 2f0j s TYR 91 CO 0.07 0.04 -0.03 0.42 -1.57 0.00 0.00 175.55 174.48 2f0j s ILE 92 N 1.10 4.01 -0.08 2.71 1.01 -1.26 -1.27 121.20 127.42 2f0j s ILE 92 Ca 0.27 -0.35 0.05 0.00 0.00 0.00 0.00 60.65 60.62 2f0j s ILE 92 Cb -0.16 -2.68 -0.01 0.00 0.01 0.00 0.00 42.46 39.63 2f0j s ILE 92 CO 0.11 0.59 -0.24 -0.31 0.00 0.00 0.00 174.94 175.09 2f0j s TYR 93 N -0.70 2.51 -0.27 3.97 2.02 0.60 -0.26 117.35 125.22 2f0j s TYR 93 Ca 0.11 -0.85 -0.04 0.00 -0.37 0.00 0.00 57.07 55.91 2f0j s TYR 93 Cb -0.11 -1.66 0.02 0.00 -0.40 0.00 0.00 41.96 39.80 2f0j s TYR 93 CO 0.02 -0.30 0.01 0.00 -1.57 0.00 0.00 175.55 173.71 2f0j s ALA 94 N 0.07 2.89 -1.45 3.71 0.00 0.33 -0.95 121.76 126.36 2f0j s ALA 94 Ca -0.10 -1.45 -0.01 0.00 0.00 0.00 0.00 51.96 50.39 2f0j s ALA 94 Cb -0.16 -1.92 0.01 0.00 0.00 0.00 0.00 23.12 21.04 2f0j s ALA 94 CO 0.06 -0.87 0.32 -0.25 0.00 0.00 0.00 175.76 175.03 2f0j n ASP 95 N 4.77 -0.07 0.00 0.00 10.43 0.12 -1.11 116.55 130.69 2f0j n ASP 95 Ca -0.15 -1.08 0.00 0.00 2.57 0.00 0.00 54.79 56.13 2f0j n ASP 95 Cb 0.47 -2.67 0.00 0.00 1.84 0.00 0.00 41.12 40.77 2f0j n ASP 95 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2f0j n GLY 96 N -2.12 2.65 3.70 0.44 0.00 -1.26 -5.00 105.19 103.59 2f0j n GLY 96 Ca -0.30 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 2f0j n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f0j s LYS 97 N -0.13 4.13 -0.16 1.61 1.02 -0.27 -5.04 119.74 120.90 2f0j s LYS 97 Ca 0.00 -0.25 -0.29 0.00 0.02 0.00 0.00 55.97 55.45 2f0j s LYS 97 Cb 0.00 -3.44 -0.03 0.00 -0.52 0.00 0.00 37.83 33.84 2f0j s LYS 97 CO 0.00 0.22 1.50 1.41 -0.92 0.00 0.00 175.35 177.56 2f0j s MET 98 N 0.59 4.04 0.30 1.68 -2.45 -1.26 -0.51 119.30 121.70 2f0j s MET 98 Ca 0.07 1.78 -0.01 0.00 -1.25 0.00 0.00 55.69 56.29 2f0j s MET 98 Cb -0.12 -3.93 0.47 0.00 1.25 0.00 0.00 34.83 32.50 2f0j s MET 98 CO 0.00 -0.98 1.93 0.28 1.05 0.00 0.00 175.02 177.30 2f0j h VAL 99 N 5.77 1.20 -0.64 10.11 2.07 -0.99 -1.38 116.25 132.40 2f0j h VAL 99 Ca -0.33 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 2f0j h VAL 99 Cb 1.14 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 2f0j h VAL 99 CO 0.98 0.23 0.32 0.78 0.02 0.00 0.00 177.57 179.90 2f0j h ASN 100 N 0.94 0.82 -0.38 0.57 4.21 -1.91 -2.00 115.58 117.84 2f0j h ASN 100 Ca 0.24 -0.12 -0.13 0.00 1.21 0.00 0.00 56.30 57.50 2f0j h ASN 100 Cb 0.04 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 37.02 2f0j h ASN 100 CO -0.04 0.71 -0.27 -0.08 -1.29 0.00 0.00 177.43 176.47 2f0j h GLU 101 N 0.88 0.85 -0.93 0.81 4.22 -1.86 -2.98 114.58 115.57 2f0j h GLU 101 Ca 0.22 -0.41 0.02 0.00 0.08 0.00 0.00 59.36 59.27 2f0j h GLU 101 Cb 0.10 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 2f0j h GLU 101 CO -0.03 1.05 0.61 0.00 -2.18 0.00 0.00 179.01 178.46 2f0j h ALA 102 N 0.78 1.37 -0.55 2.92 0.00 -0.97 0.46 119.26 123.27 2f0j h ALA 102 Ca 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2f0j h ALA 102 Cb 0.84 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2f0j h ALA 102 CO 0.07 0.56 0.28 -0.07 0.00 0.00 0.00 179.25 180.09 2f0j h LEU 103 N 1.22 0.71 -0.38 0.00 3.38 -1.32 -1.67 115.31 117.25 2f0j h LEU 103 Ca 0.35 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 58.12 2f0j h LEU 103 Cb -0.07 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2f0j h LEU 103 CO -0.09 0.63 -0.12 0.58 0.09 0.00 0.00 178.44 179.53 2f0j h VAL 104 N 0.75 1.28 0.00 1.22 2.07 -1.22 -0.07 116.25 120.27 2f0j h VAL 104 Ca 0.19 -1.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 2f0j h VAL 104 Cb 0.09 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2f0j h VAL 104 CO -0.03 0.40 -0.10 -0.09 0.02 0.00 0.00 177.57 177.77 2f0j h ARG 105 N 0.54 0.00 -0.06 1.57 9.65 0.12 -2.19 114.38 124.00 2f0j h ARG 105 Ca 0.09 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.97 2f0j h ARG 105 Cb 0.64 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 2f0j h ARG 105 CO 0.04 0.10 0.00 1.04 2.80 0.00 0.00 179.97 183.95 2f0j n GLN 106 N -4.20 1.55 -1.93 0.20 1.13 -0.65 -4.42 117.38 109.06 2f0j n GLN 106 Ca -0.03 -0.80 -0.10 0.00 -1.94 0.00 0.00 57.00 54.13 2f0j n GLN 106 Cb 0.18 -1.44 -0.02 0.00 0.11 0.00 0.00 30.24 29.08 2f0j n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2f0j n GLY 107 N 1.10 0.30 0.82 1.08 0.00 -0.83 -4.44 105.19 103.23 2f0j n GLY 107 Ca 0.18 -0.49 0.08 0.00 0.00 0.00 0.00 46.02 45.78 2f0j n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2f0j n LEU 108 N -1.36 3.06 -3.53 0.99 4.77 -0.06 -1.28 117.00 119.58 2f0j n LEU 108 Ca -0.11 -1.81 -0.18 0.00 -0.03 0.00 0.00 56.01 53.88 2f0j n LEU 108 Cb 0.52 -0.25 -0.06 0.00 -2.33 0.00 0.00 43.42 41.29 2f0j n LEU 108 CO 0.14 0.73 0.42 0.00 -1.33 0.00 0.00 177.39 177.36 2f0j s ALA 109 N -1.05 -1.72 0.19 -1.18 0.00 -1.19 -4.26 121.76 112.54 2f0j s ALA 109 Ca 0.29 1.27 0.06 0.00 0.00 0.00 0.00 51.96 53.58 2f0j s ALA 109 Cb 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 2f0j s ALA 109 CO 0.21 -0.37 0.08 0.15 0.00 0.00 0.00 175.76 175.83 2f0j s LYS 110 N -1.20 2.67 0.03 0.00 3.01 -0.02 -4.47 119.74 119.76 2f0j s LYS 110 Ca -0.11 -1.02 -0.30 0.00 -1.01 0.00 0.00 55.97 53.52 2f0j s LYS 110 Cb -0.00 -2.49 -0.06 0.00 -1.01 0.00 0.00 37.83 34.27 2f0j s LYS 110 CO 0.10 0.45 1.37 0.08 0.51 0.00 0.00 175.35 177.87 2f0j s VAL 111 N -1.83 3.66 1.11 3.17 1.01 -1.26 -0.63 120.40 125.62 2f0j s VAL 111 Ca 0.30 1.10 -0.15 0.00 0.00 0.00 0.00 61.98 63.23 2f0j s VAL 111 Cb -0.09 -3.71 0.24 0.00 0.00 0.00 0.00 36.38 32.82 2f0j s VAL 111 CO 0.21 0.03 1.08 0.00 0.00 0.00 0.00 175.10 176.42 2f0j s ALA 112 N 1.96 0.48 0.03 5.51 0.00 0.16 -4.81 121.76 125.09 2f0j s ALA 112 Ca 0.63 -0.51 -0.30 0.00 0.00 0.00 0.00 51.96 51.78 2f0j s ALA 112 Cb -0.32 -3.07 -0.06 0.00 0.00 0.00 0.00 23.12 19.67 2f0j s ALA 112 CO 0.28 -3.33 1.28 0.71 0.00 0.00 0.00 175.76 174.70 2f0j s TYR 113 N -2.85 3.21 -0.12 0.00 4.12 -1.26 -4.93 117.35 115.52 2f0j s TYR 113 Ca 0.67 1.10 -0.14 0.00 0.02 0.00 0.00 57.07 58.73 2f0j s TYR 113 Cb -0.17 -3.53 -0.05 0.00 -1.52 0.00 0.00 41.96 36.69 2f0j s TYR 113 CO 0.58 -1.78 0.33 0.08 0.02 0.00 0.00 175.55 174.78 2f0j s VAL 114 N 1.62 5.25 -0.39 0.71 1.01 -1.26 -4.99 120.40 122.34 2f0j s VAL 114 Ca 0.61 0.63 -0.05 0.00 0.00 0.00 0.00 61.98 63.17 2f0j s VAL 114 Cb -0.30 -3.65 0.09 0.00 0.00 0.00 0.00 36.38 32.51 2f0j s VAL 114 CO 0.27 0.44 0.18 -0.31 0.00 0.00 0.00 175.10 175.69 2f0j s TYR 115 N 0.02 3.46 0.58 5.22 1.51 -1.26 -5.08 117.35 121.80 2f0j s TYR 115 Ca 0.19 -2.06 -0.19 0.00 -1.01 0.00 0.00 57.07 54.00 2f0j s TYR 115 Cb -0.14 -2.95 -0.04 0.00 -0.11 0.00 0.00 41.96 38.73 2f0j s TYR 115 CO 0.07 -0.91 1.20 0.15 -1.11 0.00 0.00 175.55 174.94 2f0j s LYS 116 N 1.24 3.04 -0.22 -0.62 1.02 -1.26 -1.29 119.74 121.64 2f0j s LYS 116 Ca 0.04 1.79 0.09 0.00 0.02 0.00 0.00 55.97 57.91 2f0j s LYS 116 Cb -0.22 -1.94 0.61 0.00 -0.52 0.00 0.00 37.83 35.75 2f0j s LYS 116 CO -0.02 -1.15 1.52 -0.35 -0.92 0.00 0.00 175.35 174.44 2f0j n PRO 117 N -1.54 3.52 -2.21 -1.68 -0.04 -1.26 -5.00 135.00 126.79 2f0j n PRO 117 Ca 0.13 -2.41 -0.42 0.00 -0.04 0.00 0.00 63.50 60.76 2f0j n PRO 117 Cb 0.50 -2.05 0.00 0.00 -0.04 0.00 0.00 33.50 31.91 2f0j n PRO 117 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2f0j n ASN 118 N 0.18 4.76 -0.34 3.54 3.02 -0.41 -4.33 115.26 121.67 2f0j n ASN 118 Ca 0.28 -3.03 0.00 0.00 -0.03 0.00 0.00 54.58 51.80 2f0j n ASN 118 Cb 1.09 -1.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 2f0j n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2f0j n ASN 119 N 4.65 0.00 -0.21 6.41 6.94 -1.26 -4.48 115.26 127.31 2f0j n ASN 119 Ca 0.43 -1.43 0.01 0.00 -0.02 0.00 0.00 54.58 53.57 2f0j n ASN 119 Cb 0.38 -0.09 0.12 0.00 -2.36 0.00 0.00 39.78 37.83 2f0j n ASN 119 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 2f0j h THR 120 N 5.23 0.65 -0.55 5.53 2.02 -1.98 -2.12 112.91 121.69 2f0j h THR 120 Ca 0.00 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.08 2f0j h THR 120 Cb 1.17 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 2f0j h THR 120 CO 0.00 0.05 0.00 1.41 0.37 0.00 0.00 175.52 177.35 2f0j n HIS 121 N -5.10 1.93 -0.06 3.16 8.25 -1.26 -4.59 115.22 117.55 2f0j n HIS 121 Ca 0.10 -0.67 -0.08 0.00 -0.26 0.00 0.00 57.72 56.81 2f0j n HIS 121 Cb 0.33 -0.47 -0.01 0.00 1.12 0.00 0.00 29.99 30.95 2f0j n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2f0j h GLU 122 N 3.76 0.12 -0.28 -0.41 4.81 -1.76 -2.07 114.58 118.75 2f0j h GLU 122 Ca 0.00 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 2f0j h GLU 122 Cb 1.86 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.20 2f0j h GLU 122 CO 0.45 0.08 0.09 1.96 -0.73 0.00 0.00 179.01 180.86 2f0j h GLN 123 N 0.12 0.43 -0.58 1.92 1.08 -1.82 -0.54 115.11 115.73 2f0j h GLN 123 Ca 0.12 -0.09 0.10 0.00 -1.45 0.00 0.00 58.65 57.33 2f0j h GLN 123 Cb 0.13 -0.06 -0.08 0.00 -0.05 0.00 0.00 27.48 27.41 2f0j h GLN 123 CO -0.16 0.48 0.15 1.25 -0.95 0.00 0.00 178.83 179.59 2f0j h HIS 124 N 0.29 0.24 -0.41 2.96 2.76 -1.85 0.39 115.15 119.53 2f0j h HIS 124 Ca 0.09 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.22 2f0j h HIS 124 Cb 0.23 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.15 2f0j h HIS 124 CO 0.00 0.01 -0.03 -0.07 -1.30 0.00 0.00 177.93 176.54 2f0j h LEU 125 N 0.29 0.73 -1.21 0.26 3.38 -1.24 -2.20 115.31 115.32 2f0j h LEU 125 Ca 0.30 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2f0j h LEU 125 Cb 0.41 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2f0j h LEU 125 CO -0.36 0.89 0.42 0.03 0.09 0.00 0.00 178.44 179.51 2f0j h ARG 126 N 0.56 0.96 -0.90 1.13 3.08 -0.17 0.19 114.38 119.23 2f0j h ARG 126 Ca 0.11 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 2f0j h ARG 126 Cb 0.53 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 2f0j h ARG 126 CO 0.03 0.67 0.52 0.87 -1.07 0.00 0.00 179.97 180.99 2f0j h LYS 127 N 0.98 1.24 -0.17 0.04 1.79 -0.70 -0.57 116.57 119.18 2f0j h LYS 127 Ca 0.26 -0.13 -0.17 0.00 -2.18 0.00 0.00 60.65 58.43 2f0j h LYS 127 Cb -0.03 -0.25 -0.00 0.00 -1.58 0.00 0.00 32.23 30.36 2f0j h LYS 127 CO -0.05 0.89 -0.59 0.77 -1.08 0.00 0.00 179.45 179.39 2f0j h SER 128 N 1.25 0.63 -0.61 0.86 0.02 -0.59 -2.53 113.55 112.58 2f0j h SER 128 Ca 0.32 -0.35 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 2f0j h SER 128 Cb -0.01 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.32 2f0j h SER 128 CO -0.06 1.08 0.25 -0.08 -1.14 0.00 0.00 176.83 176.88 2f0j h GLU 129 N 0.42 0.91 -0.52 3.45 4.81 -0.24 -0.55 114.58 122.87 2f0j h GLU 129 Ca -0.00 -0.16 0.04 0.00 -0.13 0.00 0.00 59.36 59.10 2f0j h GLU 129 Cb 1.14 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.33 2f0j h GLU 129 CO 0.11 0.77 0.28 0.00 -0.73 0.00 0.00 179.01 179.44 2f0j h ALA 130 N 1.09 0.66 -0.14 2.92 0.00 -1.01 -1.60 119.26 121.19 2f0j h ALA 130 Ca 0.20 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2f0j h ALA 130 Cb 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2f0j h ALA 130 CO -0.02 -0.05 0.08 0.37 0.00 0.00 0.00 179.25 179.64 2f0j h GLN 131 N 0.55 0.20 -0.32 0.00 5.75 -1.17 -2.04 115.11 118.07 2f0j h GLN 131 Ca 0.22 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.70 2f0j h GLN 131 Cb 0.10 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 2f0j h GLN 131 CO -0.14 0.18 0.19 0.00 -2.65 0.00 0.00 178.83 176.42 2f0j h ALA 132 N 1.00 1.73 -0.20 3.38 0.00 -0.86 -0.34 119.26 123.96 2f0j h ALA 132 Ca 0.05 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2f0j h ALA 132 Cb 0.04 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2f0j h ALA 132 CO -0.01 0.24 -0.16 0.87 0.00 0.00 0.00 179.25 180.19 2f0j h LYS 133 N 0.44 0.46 -0.02 0.00 1.57 -1.00 -1.57 116.57 116.44 2f0j h LYS 133 Ca 0.12 -0.23 0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2f0j h LYS 133 Cb -0.01 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 2f0j h LYS 133 CO -0.02 0.79 0.02 -0.22 -0.57 0.00 0.00 179.45 179.45 2f0j h LYS 134 N 0.14 0.00 -0.02 3.15 3.64 -1.03 0.08 116.57 122.53 2f0j h LYS 134 Ca 0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2f0j h LYS 134 Cb 0.69 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 2f0j h LYS 134 CO 0.04 0.00 -0.15 0.39 -2.27 0.00 0.00 179.45 177.46 2f0j n GLU 135 N -4.16 1.64 -3.90 1.90 1.02 -0.17 -4.97 120.64 112.00 2f0j n GLU 135 Ca -0.02 -1.21 -0.25 0.00 -0.02 0.00 0.00 57.16 55.65 2f0j n GLU 135 Cb 0.11 -1.47 -0.00 0.00 -0.02 0.00 0.00 31.44 30.05 2f0j n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2f0j n LYS 136 N 0.38 -3.84 -3.02 3.49 5.02 0.01 -4.95 118.16 115.26 2f0j n LYS 136 Ca 0.14 0.47 -0.40 0.00 -2.02 0.00 0.00 58.31 56.50 2f0j n LYS 136 Cb 0.46 -4.78 -0.05 0.00 -0.02 0.00 0.00 35.03 30.64 2f0j n LYS 136 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2f0j s LEU 137 N -6.92 4.35 0.00 -0.35 1.43 -0.80 -3.72 118.68 112.68 2f0j s LEU 137 Ca 0.08 1.27 0.00 0.00 -1.03 0.00 0.00 54.13 54.45 2f0j s LEU 137 Cb -0.04 -3.14 0.00 0.00 0.03 0.00 0.00 46.19 43.04 2f0j s LEU 137 CO 0.87 -0.09 0.00 0.59 0.23 0.00 0.00 176.35 177.95 2f0j n ASN 138 N 3.54 0.00 -0.28 2.29 3.02 -1.26 -1.21 115.26 121.36 2f0j n ASN 138 Ca -0.01 0.00 0.31 0.00 -0.03 0.00 0.00 54.58 54.85 2f0j n ASN 138 Cb 0.51 0.00 0.70 0.00 -0.61 0.00 0.00 39.78 40.38 2f0j n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 2f0j h ILE 139 N 0.00 0.47 -0.54 2.41 2.04 -1.50 0.33 117.51 120.73 2f0j h ILE 139 Ca 0.00 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.83 2f0j h ILE 139 Cb 0.00 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 2f0j h ILE 139 CO 0.00 0.01 0.00 0.79 0.00 0.00 0.00 178.15 178.95 2f0j n TRP 140 N -4.29 0.86 0.83 1.37 7.02 -0.35 -5.13 117.44 117.74 2f0j n TRP 140 Ca 0.23 -0.39 0.10 0.00 -1.02 0.00 0.00 57.50 56.42 2f0j n TRP 140 Cb 1.09 -0.06 0.08 0.00 -2.42 0.00 0.00 31.31 30.01 2f0j n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54