#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oba n HIS 0 N 0.00 -2.51 -3.71 1.43 -0.00 -1.25 -4.92 115.22 104.26 2oba n HIS 0 Ca 0.00 1.43 -0.15 0.00 -0.00 0.00 0.00 57.72 58.99 2oba n HIS 0 Cb 0.00 -2.76 -0.15 0.00 -0.00 0.00 0.00 29.99 27.08 2oba n HIS 0 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.34 174.34 2oba s GLU 2 N -2.33 0.06 0.13 1.57 2.12 -1.26 -4.96 118.70 114.02 2oba s GLU 2 Ca 0.00 0.46 0.04 0.00 0.36 0.00 0.00 54.97 55.83 2oba s GLU 2 Cb 0.00 -0.23 -0.04 0.00 0.26 0.00 0.00 34.13 34.12 2oba s GLU 2 CO 0.00 -0.24 0.14 -0.51 -0.54 0.00 0.00 175.26 174.11 2oba s LEU 3 N 1.75 3.90 0.04 2.70 1.02 0.35 -4.95 118.68 123.49 2oba s LEU 3 Ca -0.03 -0.03 -0.06 0.00 0.02 0.00 0.00 54.13 54.03 2oba s LEU 3 Cb -0.12 -2.52 -0.01 0.00 0.02 0.00 0.00 46.19 43.56 2oba s LEU 3 CO -0.06 0.11 0.10 0.72 0.02 0.00 0.00 176.35 177.24 2oba s PHE 4 N -1.62 0.21 -0.03 0.29 -0.71 -1.26 -1.66 117.98 113.20 2oba s PHE 4 Ca 0.31 -0.53 0.01 0.00 -1.04 0.00 0.00 56.93 55.68 2oba s PHE 4 Cb -0.11 -0.15 0.02 0.00 -1.21 0.00 0.00 43.02 41.57 2oba s PHE 4 CO 0.24 -0.38 -0.03 0.21 -1.34 0.00 0.00 175.22 173.92 2oba s LYS 5 N -2.74 0.54 -0.08 1.99 2.47 -0.45 -4.97 119.74 116.50 2oba s LYS 5 Ca -0.04 -0.04 -0.01 0.00 -1.56 0.00 0.00 55.97 54.32 2oba s LYS 5 Cb -0.00 -0.61 -0.03 0.00 -1.46 0.00 0.00 37.83 35.72 2oba s LYS 5 CO -0.05 -0.07 -0.02 -2.00 0.16 0.00 0.00 175.35 173.37 2oba s GLU 6 N 0.79 2.92 0.08 4.03 2.12 -1.26 -0.53 118.70 126.86 2oba s GLU 6 Ca -0.09 -0.45 0.05 0.00 0.36 0.00 0.00 54.97 54.84 2oba s GLU 6 Cb -0.12 -2.74 -0.03 0.00 0.26 0.00 0.00 34.13 31.50 2oba s GLU 6 CO -0.01 0.69 -0.13 -0.06 -0.54 0.00 0.00 175.26 175.21 2oba s PHE 7 N -0.86 1.19 -0.16 5.30 0.08 0.74 -4.98 117.98 119.30 2oba s PHE 7 Ca 0.13 -0.49 0.02 0.00 0.12 0.00 0.00 56.93 56.70 2oba s PHE 7 Cb -0.11 -0.66 0.01 0.00 -0.57 0.00 0.00 43.02 41.69 2oba s PHE 7 CO 0.02 0.05 -0.21 0.99 -0.10 0.00 0.00 175.22 175.97 2oba s THR 8 N -1.50 2.05 -0.00 0.64 2.01 -1.26 0.43 115.64 118.01 2oba s THR 8 Ca -0.00 -0.96 0.07 0.00 0.31 0.00 0.00 61.69 61.11 2oba s THR 8 Cb -0.09 -1.83 -0.03 0.00 0.01 0.00 0.00 72.50 70.57 2oba s THR 8 CO 0.02 0.54 -0.22 0.72 -0.69 0.00 0.00 174.62 175.00 2oba s PHE 9 N 1.04 2.46 -0.44 4.92 -0.71 -0.01 -4.94 117.98 120.30 2oba s PHE 9 Ca -0.01 -0.33 -0.15 0.00 -1.04 0.00 0.00 56.93 55.39 2oba s PHE 9 Cb -0.14 -1.50 0.04 0.00 -1.21 0.00 0.00 43.02 40.21 2oba s PHE 9 CO -0.07 0.11 0.36 -1.21 -1.34 0.00 0.00 175.22 173.06 2oba s GLU 10 N -0.94 2.99 0.07 1.99 0.41 -1.26 -0.60 118.70 121.36 2oba s GLU 10 Ca 0.12 -1.12 -0.02 0.00 -0.41 0.00 0.00 54.97 53.54 2oba s GLU 10 Cb -0.10 -4.04 -0.03 0.00 -1.78 0.00 0.00 34.13 28.17 2oba s GLU 10 CO 0.01 -0.88 0.02 -1.12 -0.49 0.00 0.00 175.26 172.81 2oba s SER 11 N 2.06 0.40 0.11 -0.19 0.01 -0.91 0.22 113.70 115.40 2oba s SER 11 Ca 0.06 -1.00 0.04 0.00 1.31 0.00 0.00 55.95 56.36 2oba s SER 11 Cb -0.21 0.24 -0.04 0.00 0.21 0.00 0.00 66.02 66.22 2oba s SER 11 CO 0.09 -0.65 0.07 0.00 0.41 0.00 0.00 173.24 173.16 2oba s ALA 12 N -3.94 3.48 0.21 1.44 0.00 -0.84 -1.29 121.76 120.82 2oba s ALA 12 Ca 0.10 -1.12 -0.23 0.00 0.00 0.00 0.00 51.96 50.72 2oba s ALA 12 Cb 0.07 -1.33 0.05 0.00 0.00 0.00 0.00 23.12 21.92 2oba s ALA 12 CO -0.08 0.65 0.89 -3.38 0.00 0.00 0.00 175.76 173.85 2oba s HIS 13 N -1.49 -0.09 -0.05 0.00 -3.43 -0.12 -1.12 115.29 108.98 2oba s HIS 13 Ca 0.29 -0.30 -0.24 0.00 -0.80 0.00 0.00 55.06 54.00 2oba s HIS 13 Cb -0.11 0.69 0.05 0.00 -1.43 0.00 0.00 32.58 31.78 2oba s HIS 13 CO 0.21 -1.03 0.54 -0.98 -2.00 0.00 0.00 174.74 171.49 2oba s ARG 14 N -3.21 0.89 -0.22 -0.38 1.70 -1.26 -2.07 118.95 114.40 2oba s ARG 14 Ca 0.13 0.15 -0.13 0.00 -0.47 0.00 0.00 55.73 55.41 2oba s ARG 14 Cb -0.03 0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 34.72 2oba s ARG 14 CO 0.05 -0.26 0.29 -0.51 -1.08 0.00 0.00 175.30 173.79 2oba s LEU 15 N -1.11 4.13 0.43 -1.89 1.43 -0.01 -4.50 118.68 117.17 2oba s LEU 15 Ca -0.11 0.33 0.24 0.00 -1.03 0.00 0.00 54.13 53.56 2oba s LEU 15 Cb -0.02 -2.33 0.78 0.00 0.03 0.00 0.00 46.19 44.66 2oba s LEU 15 CO 0.07 -0.02 1.77 1.55 0.23 0.00 0.00 176.35 179.95 2oba h PRO 16 N 7.46 0.00 -0.44 1.29 0.13 -1.89 -3.36 132.00 135.20 2oba h PRO 16 Ca -0.37 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.57 2oba h PRO 16 Cb 1.17 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.18 2oba h PRO 16 CO 0.69 0.21 0.05 0.72 -0.23 0.00 0.00 178.00 179.44 2oba n HIS 17 N -3.29 1.39 -4.09 1.56 8.25 -1.26 -4.99 115.22 112.79 2oba n HIS 17 Ca 0.01 -1.46 -0.23 0.00 -0.26 0.00 0.00 57.72 55.78 2oba n HIS 17 Cb 0.47 -0.53 -0.04 0.00 1.12 0.00 0.00 29.99 31.01 2oba n HIS 17 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2oba s VAL 18 N -3.15 4.55 0.94 1.59 -7.23 -1.26 -5.09 120.40 110.74 2oba s VAL 18 Ca 0.46 -1.28 -0.12 0.00 -1.81 0.00 0.00 61.98 59.24 2oba s VAL 18 Cb 0.40 -3.43 0.09 0.00 0.56 0.00 0.00 36.38 34.01 2oba s VAL 18 CO 0.04 -0.29 0.71 -2.65 -0.31 0.00 0.00 175.10 172.60 2oba n PRO 19 N -1.00 -0.41 -0.27 4.82 -0.02 -1.26 -4.88 135.00 131.98 2oba n PRO 19 Ca -0.08 -0.07 0.07 0.00 -2.02 0.00 0.00 63.50 61.40 2oba n PRO 19 Cb 0.57 -2.07 0.21 0.00 -0.02 0.00 0.00 33.50 32.19 2oba n PRO 19 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2oba h GLU 20 N -1.73 0.41 -0.69 -0.52 4.57 -1.99 -2.23 114.58 112.39 2oba h GLU 20 Ca -0.44 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 2oba h GLU 20 Cb 1.28 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 2oba h GLU 20 CO 0.37 0.27 0.00 0.41 -1.18 0.00 0.00 179.01 178.88 2oba n GLY 21 N -1.33 0.87 3.71 1.92 0.00 -1.26 -4.91 105.19 104.19 2oba n GLY 21 Ca 0.16 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 2oba n GLY 21 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2oba s HIS 22 N -1.37 3.41 0.52 1.61 5.04 -0.84 -4.95 115.29 118.71 2oba s HIS 22 Ca 0.03 0.48 0.30 0.00 -1.54 0.00 0.00 55.06 54.33 2oba s HIS 22 Cb 0.02 -2.31 1.72 0.00 0.04 0.00 0.00 32.58 32.05 2oba s HIS 22 CO 0.01 0.19 2.19 1.57 -2.34 0.00 0.00 174.74 176.36 2oba h LYS 23 N 6.89 0.00 0.00 2.88 2.10 -1.90 -1.72 116.57 124.82 2oba h LYS 23 Ca -0.40 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.24 2oba h LYS 23 Cb 1.16 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.49 2oba h LYS 23 CO 0.74 0.05 -0.07 0.00 -2.00 0.00 0.00 179.45 178.17 2oba n GLY 25 N 0.64 -1.33 3.80 0.00 0.00 -0.65 -0.82 105.19 106.84 2oba n GLY 25 Ca 0.02 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 2oba n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2oba s ARG 26 N -3.01 4.30 0.03 1.61 0.52 -1.08 -4.55 118.95 116.76 2oba s ARG 26 Ca 0.12 1.23 -0.30 0.00 -0.52 0.00 0.00 55.73 56.25 2oba s ARG 26 Cb 0.18 -2.38 -0.08 0.00 0.52 0.00 0.00 34.95 33.18 2oba s ARG 26 CO 0.66 0.02 1.89 -1.17 0.02 0.00 0.00 175.30 176.72 2oba s LEU 27 N -2.83 4.41 0.00 2.53 2.96 -1.26 -4.59 118.68 119.89 2oba s LEU 27 Ca 0.59 2.59 0.00 0.00 -0.22 0.00 0.00 54.13 57.09 2oba s LEU 27 Cb -0.13 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.02 2oba s LEU 27 CO 0.18 -1.02 0.00 0.00 -1.32 0.00 0.00 176.35 174.18 2oba n HIS 28 N 7.31 0.00 -3.82 5.38 1.44 -0.88 -5.01 115.22 119.64 2oba n HIS 28 Ca 0.19 0.00 -0.00 0.00 -2.01 0.00 0.00 57.72 55.90 2oba n HIS 28 Cb 0.41 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.53 2oba n HIS 28 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 2oba s GLY 29 N 0.00 -0.15 0.14 -1.39 0.00 -1.26 -0.94 107.32 103.72 2oba s GLY 29 Ca 0.00 0.13 -0.16 0.00 0.00 0.00 0.00 44.72 44.68 2oba s GLY 29 CO 0.00 2.32 0.43 0.30 0.00 0.00 0.00 173.10 176.15 2oba s HIS 30 N -2.36 -0.17 -0.98 1.90 3.76 -0.42 -4.98 115.29 112.04 2oba s HIS 30 Ca 0.20 -0.15 -0.20 0.00 -0.15 0.00 0.00 55.06 54.76 2oba s HIS 30 Cb 0.00 0.29 0.10 0.00 1.11 0.00 0.00 32.58 34.08 2oba s HIS 30 CO 0.01 -0.76 1.28 -1.12 -0.85 0.00 0.00 174.74 173.30 2oba s SER 31 N -2.82 6.60 0.36 1.40 0.01 -1.26 -2.14 113.70 115.84 2oba s SER 31 Ca 0.05 -1.85 -0.27 0.00 1.31 0.00 0.00 55.95 55.19 2oba s SER 31 Cb 0.01 -2.47 -0.09 0.00 0.21 0.00 0.00 66.02 63.68 2oba s SER 31 CO -0.09 -1.23 1.19 -0.36 0.41 0.00 0.00 173.24 173.15 2oba s PHE 32 N 3.59 3.17 -0.05 2.43 0.08 0.23 -4.77 117.98 122.66 2oba s PHE 32 Ca 0.39 1.55 0.05 0.00 0.12 0.00 0.00 56.93 59.04 2oba s PHE 32 Cb -0.03 -3.44 -0.02 0.00 -0.57 0.00 0.00 43.02 38.96 2oba s PHE 32 CO -0.09 -1.29 -0.18 1.03 -0.10 0.00 0.00 175.22 174.60 2oba s ARG 33 N -2.00 2.44 -0.10 0.44 0.52 -0.70 -0.83 118.95 118.71 2oba s ARG 33 Ca 0.52 -0.76 0.00 0.00 -0.52 0.00 0.00 55.73 54.97 2oba s ARG 33 Cb -0.33 -2.29 0.02 0.00 0.52 0.00 0.00 34.95 32.87 2oba s ARG 33 CO 0.43 0.58 -0.10 0.54 0.02 0.00 0.00 175.30 176.77 2oba s VAL 34 N -0.64 1.12 -0.17 3.52 0.11 0.17 -0.29 120.40 124.22 2oba s VAL 34 Ca 0.10 -0.38 -0.12 0.00 -2.93 0.00 0.00 61.98 58.65 2oba s VAL 34 Cb -0.11 -1.09 -0.05 0.00 -1.53 0.00 0.00 36.38 33.60 2oba s VAL 34 CO 0.00 0.38 0.21 0.00 -3.33 0.00 0.00 175.10 172.36 2oba s ALA 35 N 1.41 3.67 -0.28 1.54 0.00 0.00 -0.19 121.76 127.90 2oba s ALA 35 Ca -0.00 -0.57 -0.07 0.00 0.00 0.00 0.00 51.96 51.32 2oba s ALA 35 Cb -0.13 -2.25 -0.01 0.00 0.00 0.00 0.00 23.12 20.72 2oba s ALA 35 CO -0.05 0.19 0.09 0.42 0.00 0.00 0.00 175.76 176.40 2oba s ILE 36 N 0.22 4.17 -0.03 0.00 -1.09 0.31 -1.86 121.20 122.93 2oba s ILE 36 Ca 0.13 -0.47 -0.00 0.00 -2.23 0.00 0.00 60.65 58.08 2oba s ILE 36 Cb -0.12 -3.07 -0.04 0.00 -1.58 0.00 0.00 42.46 37.65 2oba s ILE 36 CO 0.02 0.17 0.03 -1.00 -1.23 0.00 0.00 174.94 172.93 2oba s HIS 37 N 1.56 3.17 0.01 3.97 3.76 -0.09 -1.34 115.29 126.33 2oba s HIS 37 Ca 0.04 0.16 0.01 0.00 -0.15 0.00 0.00 55.06 55.12 2oba s HIS 37 Cb -0.16 -1.73 -0.01 0.00 1.11 0.00 0.00 32.58 31.79 2oba s HIS 37 CO 0.03 0.50 -0.03 0.96 -0.85 0.00 0.00 174.74 175.35 2oba s ILE 38 N -1.06 0.19 -0.00 0.60 -4.36 -0.66 -1.15 121.20 114.75 2oba s ILE 38 Ca 0.19 -0.35 0.07 0.00 -0.26 0.00 0.00 60.65 60.29 2oba s ILE 38 Cb -0.12 -0.21 -0.03 0.00 1.25 0.00 0.00 42.46 43.35 2oba s ILE 38 CO 0.09 -0.10 -0.20 -1.61 0.24 0.00 0.00 174.94 173.35 2oba s GLU 39 N -0.48 2.18 -0.10 0.37 2.02 -0.90 -0.49 118.70 121.29 2oba s GLU 39 Ca -0.04 -0.90 -0.32 0.00 0.02 0.00 0.00 54.97 53.73 2oba s GLU 39 Cb -0.03 -2.18 0.13 0.00 0.10 0.00 0.00 34.13 32.15 2oba s GLU 39 CO -0.00 0.57 1.42 0.20 0.02 0.00 0.00 175.26 177.47 2oba s GLY 40 N -0.97 -0.40 0.06 -1.39 0.00 -1.26 -4.81 107.32 98.55 2oba s GLY 40 Ca 0.12 0.67 -0.30 0.00 0.00 0.00 0.00 44.72 45.21 2oba s GLY 40 CO 0.02 2.79 1.09 1.85 0.00 0.00 0.00 173.10 178.85 2oba s GLU 41 N -2.00 4.52 -0.13 2.90 2.12 -1.26 -3.90 118.70 120.95 2oba s GLU 41 Ca 0.22 1.62 -0.29 0.00 0.36 0.00 0.00 54.97 56.88 2oba s GLU 41 Cb 0.05 -3.38 -0.02 0.00 0.26 0.00 0.00 34.13 31.05 2oba s GLU 41 CO -0.05 -0.10 1.21 0.54 -0.54 0.00 0.00 175.26 176.31 2oba s VAL 42 N 0.77 4.32 0.09 3.70 0.11 -1.26 -4.51 120.40 123.62 2oba s VAL 42 Ca 0.54 1.62 -0.31 0.00 -2.93 0.00 0.00 61.98 60.90 2oba s VAL 42 Cb -0.26 -4.04 -0.09 0.00 -1.53 0.00 0.00 36.38 30.45 2oba s VAL 42 CO 0.30 -0.09 1.78 -0.62 -3.33 0.00 0.00 175.10 173.14 2oba s ASP 43 N 1.70 6.49 0.15 3.54 -1.08 -0.08 -4.49 116.67 122.90 2oba s ASP 43 Ca 0.54 2.65 -0.20 0.00 -0.52 0.00 0.00 52.55 55.01 2oba s ASP 43 Cb -0.22 -2.56 0.03 0.00 -1.46 0.00 0.00 42.92 38.71 2oba s ASP 43 CO 0.17 -0.97 1.66 -0.65 0.52 0.00 0.00 175.17 175.89 2oba h PRO 44 N 8.77 -0.13 -0.16 4.34 0.11 -1.93 -0.36 132.00 142.64 2oba h PRO 44 Ca -0.45 0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.49 2oba h PRO 44 Cb 1.21 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 2oba h PRO 44 CO 0.94 -0.09 -0.64 1.25 -0.21 0.00 0.00 178.00 179.25 2oba h HIS 45 N -0.13 0.76 -0.01 0.65 -0.00 -1.96 -3.30 115.15 111.15 2oba h HIS 45 Ca 0.14 -0.30 0.00 0.00 -0.00 0.00 0.00 60.37 60.21 2oba h HIS 45 Cb 0.35 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 27.63 2oba h HIS 45 CO -0.33 1.07 -0.29 0.25 -0.00 0.00 0.00 177.93 178.62 2oba n THR 46 N -3.92 0.00 -1.63 6.26 -2.24 -1.21 -4.94 114.28 106.60 2oba n THR 46 Ca -0.04 -0.13 -0.19 0.00 -2.27 0.00 0.00 64.05 61.42 2oba n THR 46 Cb 0.66 0.47 -0.07 0.00 -2.10 0.00 0.00 70.33 69.28 2oba n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2oba n GLY 47 N 1.36 1.57 3.38 3.38 0.00 -0.15 -4.99 105.19 109.74 2oba n GLY 47 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 2oba n GLY 47 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2oba s TRP 48 N -2.63 0.35 -0.06 1.61 -2.14 -1.21 -4.85 118.94 110.01 2oba s TRP 48 Ca 0.00 -0.71 -0.06 0.00 2.66 0.00 0.00 56.10 57.99 2oba s TRP 48 Cb 0.00 0.01 -0.03 0.00 -3.10 0.00 0.00 33.47 30.35 2oba s TRP 48 CO 0.00 -0.77 0.27 0.82 -2.66 0.00 0.00 176.95 174.61 2oba h ILE 49 N 2.47 0.00 -3.02 0.66 2.04 -1.91 -0.18 117.51 117.57 2oba h ILE 49 Ca -0.31 -0.72 -0.15 0.00 1.00 0.00 0.00 64.86 64.68 2oba h ILE 49 Cb 1.24 0.00 -0.25 0.00 -0.74 0.00 0.00 36.82 37.06 2oba h ILE 49 CO 0.46 0.00 -0.37 -0.60 0.00 0.00 0.00 178.15 177.64 2oba s ARG 50 N -2.23 0.35 0.06 2.37 3.52 -1.26 -4.78 118.95 116.99 2oba s ARG 50 Ca -0.03 0.40 -0.36 0.00 -0.13 0.00 0.00 55.73 55.61 2oba s ARG 50 Cb 0.00 0.17 -0.15 0.00 -1.56 0.00 0.00 34.95 33.41 2oba s ARG 50 CO 0.09 -0.04 1.51 -3.47 -0.81 0.00 0.00 175.30 172.58 2oba n ASP 51 N 2.89 2.37 -0.24 -2.12 -0.08 -1.26 -4.86 116.55 113.25 2oba n ASP 51 Ca -0.13 1.09 0.10 0.00 -1.51 0.00 0.00 54.79 54.34 2oba n ASP 51 Cb 0.58 -1.28 0.36 0.00 2.34 0.00 0.00 41.12 43.12 2oba n ASP 51 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 2oba h PHE 52 N 5.69 0.81 0.00 -0.67 0.04 -2.00 -2.30 116.94 118.51 2oba h PHE 52 Ca -0.47 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.28 2oba h PHE 52 Cb 1.30 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 39.18 2oba h PHE 52 CO 0.65 0.35 -0.20 0.00 -0.60 0.00 0.00 178.31 178.51 2oba h ALA 53 N 1.59 1.43 0.00 2.45 0.00 -1.99 -1.37 119.26 121.37 2oba h ALA 53 Ca 0.40 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 2oba h ALA 53 Cb 0.54 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2oba h ALA 53 CO -0.17 0.25 -0.62 0.93 0.00 0.00 0.00 179.25 179.65 2oba h GLU 54 N 0.00 0.00 0.00 0.00 5.08 -1.79 -2.17 114.58 115.71 2oba h GLU 54 Ca -0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 2oba h GLU 54 Cb 0.42 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2oba h GLU 54 CO 0.03 0.62 -0.71 0.82 -1.00 0.00 0.00 179.01 178.76 2oba h ILE 55 N 0.00 1.47 -0.04 3.13 2.04 -1.26 -2.11 117.51 120.73 2oba h ILE 55 Ca -0.01 -2.48 -0.22 0.00 1.00 0.00 0.00 64.86 63.15 2oba h ILE 55 Cb 1.19 2.35 0.01 0.00 -0.74 0.00 0.00 36.82 39.62 2oba h ILE 55 CO 0.08 0.70 -0.89 0.50 0.00 0.00 0.00 178.15 178.54 2oba h LYS 56 N 0.00 0.53 -0.07 2.37 3.64 -1.26 -2.44 116.57 119.34 2oba h LYS 56 Ca -0.01 -0.52 -0.22 0.00 -1.27 0.00 0.00 60.65 58.63 2oba h LYS 56 Cb 1.30 0.13 0.01 0.00 -0.41 0.00 0.00 32.23 33.25 2oba h LYS 56 CO 0.09 1.15 -0.85 0.00 -2.27 0.00 0.00 179.45 177.57 2oba h ALA 57 N 0.68 0.36 -0.31 5.00 0.00 -1.34 -1.66 119.26 122.00 2oba h ALA 57 Ca -0.07 -0.65 -0.09 0.00 0.00 0.00 0.00 54.91 54.10 2oba h ALA 57 Cb 1.51 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 2oba h ALA 57 CO 0.16 0.74 -0.17 0.82 0.00 0.00 0.00 179.25 180.80 2oba h ILE 58 N 0.38 1.29 -0.15 0.00 2.04 -1.47 -3.26 117.51 116.34 2oba h ILE 58 Ca -0.07 -1.29 -0.10 0.00 1.00 0.00 0.00 64.86 64.40 2oba h ILE 58 Cb 1.47 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 39.00 2oba h ILE 58 CO 0.16 0.41 -0.36 0.15 0.00 0.00 0.00 178.15 178.51 2oba h PHE 59 N 0.42 0.36 -0.97 1.37 3.57 -1.39 -3.38 116.94 116.91 2oba h PHE 59 Ca 0.07 -0.09 0.15 0.00 3.53 0.00 0.00 57.97 61.63 2oba h PHE 59 Cb 0.71 -0.08 -0.16 0.00 2.79 0.00 0.00 35.95 39.20 2oba h PHE 59 CO 0.06 0.64 -0.38 -0.22 -2.23 0.00 0.00 178.31 176.18 2oba h LYS 60 N 0.27 -0.01 -0.11 1.11 3.64 -1.34 0.10 116.57 120.23 2oba h LYS 60 Ca 0.03 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 2oba h LYS 60 Cb 0.76 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 2oba h LYS 60 CO 0.06 -0.01 -0.06 -1.00 -2.27 0.00 0.00 179.45 176.17 2oba h PRO 61 N -0.01 0.16 -0.04 1.90 0.13 -1.80 0.11 132.00 132.45 2oba h PRO 61 Ca 0.35 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 65.39 2oba h PRO 61 Cb 0.60 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.70 2oba h PRO 61 CO -0.97 0.23 -0.20 0.82 -0.23 0.00 0.00 178.00 177.65 2oba h ILE 62 N 0.16 1.47 -0.65 -3.56 2.04 -1.15 -2.63 117.51 113.18 2oba h ILE 62 Ca 0.04 -1.67 0.13 0.00 1.00 0.00 0.00 64.86 64.36 2oba h ILE 62 Cb 0.21 2.44 -0.10 0.00 -0.74 0.00 0.00 36.82 38.63 2oba h ILE 62 CO 0.01 0.46 0.07 0.22 0.00 0.00 0.00 178.15 178.91 2oba h TYR 63 N -0.35 0.09 -0.29 1.37 3.20 -0.73 -2.44 116.97 117.82 2oba h TYR 63 Ca -0.01 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 2oba h TYR 63 Cb 0.86 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.17 2oba h TYR 63 CO 0.14 -0.12 -0.11 0.93 -1.64 0.00 0.00 178.16 177.36 2oba h GLU 64 N 0.18 0.48 -1.00 1.82 5.08 -0.73 0.18 114.58 120.58 2oba h GLU 64 Ca 0.35 -0.13 0.04 0.00 -1.00 0.00 0.00 59.36 58.61 2oba h GLU 64 Cb 0.57 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.71 2oba h GLU 64 CO -0.50 0.59 0.66 1.96 -1.00 0.00 0.00 179.01 180.72 2oba h GLN 65 N 0.45 1.23 0.08 2.33 4.20 -1.07 -3.33 115.11 119.01 2oba h GLN 65 Ca 0.08 -0.07 -0.20 0.00 0.06 0.00 0.00 58.65 58.52 2oba h GLN 65 Cb 0.47 -0.28 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 2oba h GLN 65 CO 0.03 0.81 -0.98 -0.07 -0.67 0.00 0.00 178.83 177.95 2oba h LEU 66 N 1.27 0.28 -9.73 1.46 3.38 -0.98 -3.44 115.31 107.55 2oba h LEU 66 Ca 0.40 -0.85 -0.52 0.00 0.09 0.00 0.00 57.88 56.99 2oba h LEU 66 Cb -0.00 -0.09 0.04 0.00 0.09 0.00 0.00 40.66 40.70 2oba h LEU 66 CO -0.12 1.43 0.68 -0.62 0.09 0.00 0.00 178.44 179.90 2oba s ASP 67 N -6.84 6.80 -1.46 -0.43 2.15 0.57 -3.13 116.67 114.34 2oba s ASP 67 Ca -0.19 2.53 -0.10 0.00 0.43 0.00 0.00 52.55 55.21 2oba s ASP 67 Cb 0.02 -2.62 0.06 0.00 -0.30 0.00 0.00 42.92 40.08 2oba s ASP 67 CO 0.74 -0.58 0.98 1.41 -0.17 0.00 0.00 175.17 177.55 2oba n HIS 68 N 2.28 -2.35 -4.24 -5.34 8.25 0.13 -4.90 115.22 109.05 2oba n HIS 68 Ca 0.05 0.92 -0.15 0.00 -0.26 0.00 0.00 57.72 58.28 2oba n HIS 68 Cb 0.42 -4.28 -0.09 0.00 1.12 0.00 0.00 29.99 27.16 2oba n HIS 68 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2oba s ASN 69 N -3.52 0.83 -0.32 0.41 0.01 -1.18 -5.03 114.94 106.13 2oba s ASN 69 Ca 0.52 -1.55 -0.11 0.00 -0.71 0.00 0.00 52.86 51.01 2oba s ASN 69 Cb -0.26 0.46 -0.01 0.00 0.41 0.00 0.00 41.25 41.85 2oba s ASN 69 CO 0.81 -0.94 0.20 -0.47 -1.51 0.00 0.00 177.10 175.18 2oba s TYR 70 N -3.84 3.20 0.36 2.20 5.04 -1.26 -1.98 117.35 121.07 2oba s TYR 70 Ca 0.40 -0.38 0.07 0.00 -2.44 0.00 0.00 57.07 54.72 2oba s TYR 70 Cb 0.05 -2.41 0.69 0.00 0.35 0.00 0.00 41.96 40.64 2oba s TYR 70 CO 0.19 -0.40 1.89 -0.07 -1.34 0.00 0.00 175.55 175.82 2oba h LEU 71 N 8.42 0.36 -0.91 6.97 4.07 -1.46 -2.53 115.31 130.23 2oba h LEU 71 Ca -0.32 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.57 2oba h LEU 71 Cb 1.15 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.80 2oba h LEU 71 CO 0.62 0.47 0.00 0.59 -1.08 0.00 0.00 178.44 179.04 2oba n ASN 72 N -4.28 0.47 -0.05 -0.43 4.13 -1.24 -2.24 115.26 111.62 2oba n ASN 72 Ca 0.00 0.68 0.12 0.00 1.68 0.00 0.00 54.58 57.06 2oba n ASN 72 Cb 0.26 -0.75 0.21 0.00 -1.54 0.00 0.00 39.78 37.95 2oba n ASN 72 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2oba n ASP 73 N -2.08 0.68 -4.70 6.41 8.00 -0.95 -4.27 116.55 119.63 2oba n ASP 73 Ca 0.00 -0.47 -0.42 0.00 0.71 0.00 0.00 54.79 54.61 2oba n ASP 73 Cb 0.09 0.34 -0.03 0.00 -0.02 0.00 0.00 41.12 41.51 2oba n ASP 73 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2oba s ILE 74 N -2.92 4.87 0.07 0.53 1.01 -0.95 -4.99 121.20 118.82 2oba s ILE 74 Ca 0.13 1.96 -0.35 0.00 0.00 0.00 0.00 60.65 62.39 2oba s ILE 74 Cb 0.18 -4.28 -0.14 0.00 0.01 0.00 0.00 42.46 38.23 2oba s ILE 74 CO 0.69 0.13 1.60 -2.65 0.00 0.00 0.00 174.94 174.71 2oba n PRO 75 N 4.17 1.88 0.00 2.79 -0.02 -1.26 -1.73 135.00 140.83 2oba n PRO 75 Ca 0.06 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 2oba n PRO 75 Cb 0.50 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 2oba n PRO 75 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oba n GLY 76 N 3.47 1.31 1.99 -1.23 0.00 -1.26 -4.94 105.19 104.52 2oba n GLY 76 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 2oba n GLY 76 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2oba n LEU 77 N 0.00 5.37 0.25 0.99 4.77 -0.71 -4.64 117.00 123.03 2oba n LEU 77 Ca 0.00 -4.58 0.15 0.00 -0.03 0.00 0.00 56.01 51.55 2oba n LEU 77 Cb 0.00 -0.49 0.46 0.00 -2.33 0.00 0.00 43.42 41.06 2oba n LEU 77 CO 0.00 1.92 0.91 -0.33 -1.33 0.00 0.00 177.39 178.56 2oba h GLU 78 N 2.05 0.00 -2.81 3.23 3.07 -1.75 -3.27 114.58 115.10 2oba h GLU 78 Ca 0.40 0.00 -0.64 0.00 -0.50 0.00 0.00 59.36 58.61 2oba h GLU 78 Cb 1.38 0.00 -0.40 0.00 -0.84 0.00 0.00 28.75 28.90 2oba h GLU 78 CO 0.88 0.00 -0.38 -1.71 -1.40 0.00 0.00 179.01 176.40 2oba n ASN 79 N -3.07 3.78 -3.03 1.42 5.15 -1.26 -4.48 115.26 113.77 2oba n ASN 79 Ca 0.02 -3.30 -0.33 0.00 -0.60 0.00 0.00 54.58 50.37 2oba n ASN 79 Cb 0.40 -0.82 -0.06 0.00 -0.53 0.00 0.00 39.78 38.77 2oba n ASN 79 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2oba n PRO 80 N 1.59 3.41 -1.00 1.20 -0.04 -1.23 -4.72 135.00 134.21 2oba n PRO 80 Ca 0.24 -2.09 -0.30 0.00 -0.04 0.00 0.00 63.50 61.31 2oba n PRO 80 Cb 0.37 -2.60 0.16 0.00 -0.04 0.00 0.00 33.50 31.40 2oba n PRO 80 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2oba s THR 81 N 1.43 2.49 0.22 0.52 -4.23 -1.26 -4.78 115.64 110.04 2oba s THR 81 Ca 0.67 0.16 -0.08 0.00 -1.18 0.00 0.00 61.69 61.26 2oba s THR 81 Cb 0.22 -2.48 0.16 0.00 1.34 0.00 0.00 72.50 71.73 2oba s THR 81 CO -0.06 -0.21 1.78 0.28 -0.54 0.00 0.00 174.62 175.87 2oba h SER 82 N -1.76 0.43 -0.59 3.99 0.02 -1.97 -0.68 113.55 112.98 2oba h SER 82 Ca -0.50 0.06 0.07 0.00 -0.84 0.00 0.00 61.79 60.58 2oba h SER 82 Cb 1.28 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 63.75 2oba h SER 82 CO 0.51 0.26 0.28 -0.33 -1.14 0.00 0.00 176.83 176.41 2oba h GLU 83 N 0.58 0.50 0.00 3.45 3.07 -1.96 -1.51 114.58 118.71 2oba h GLU 83 Ca 0.32 -0.03 -0.15 0.00 -0.50 0.00 0.00 59.36 59.00 2oba h GLU 83 Cb 0.32 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.09 2oba h GLU 83 CO -0.25 0.33 -0.71 -0.91 -1.40 0.00 0.00 179.01 176.07 2oba h ASN 84 N 0.51 0.00 -0.21 1.42 2.35 -1.71 -2.38 115.58 115.56 2oba h ASN 84 Ca 0.28 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.88 2oba h ASN 84 Cb 0.25 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 2oba h ASN 84 CO -0.22 0.71 -0.42 0.25 -1.65 0.00 0.00 177.43 176.10 2oba h LEU 85 N 0.00 0.82 -0.06 1.61 5.85 -1.04 -0.67 115.31 121.81 2oba h LEU 85 Ca -0.01 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.33 2oba h LEU 85 Cb 1.30 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 42.09 2oba h LEU 85 CO 0.09 1.13 0.04 0.00 -0.34 0.00 0.00 178.44 179.36 2oba h ARG 87 N 0.06 0.06 -0.05 0.00 2.43 -1.38 -1.04 114.38 114.46 2oba h ARG 87 Ca 0.02 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2oba h ARG 87 Cb 0.01 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2oba h ARG 87 CO -0.00 0.04 0.03 2.35 -1.51 0.00 0.00 179.97 180.87 2oba h TRP 88 N 0.06 0.06 -0.83 2.20 7.01 -1.04 -0.30 115.95 123.11 2oba h TRP 88 Ca 0.03 0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.07 2oba h TRP 88 Cb 0.02 -0.02 -0.05 0.00 -2.10 0.00 0.00 29.16 27.01 2oba h TRP 88 CO -0.10 0.03 0.52 0.82 -2.79 0.00 0.00 178.44 176.93 2oba h ILE 89 N 0.06 1.10 -0.20 2.65 2.04 -1.11 -0.75 117.51 121.30 2oba h ILE 89 Ca 0.02 -0.34 0.03 0.00 1.00 0.00 0.00 64.86 65.56 2oba h ILE 89 Cb -0.01 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.06 2oba h ILE 89 CO -0.00 0.18 0.03 -0.25 0.00 0.00 0.00 178.15 178.11 2oba h TRP 90 N 1.00 0.04 -0.67 1.37 2.91 -0.96 -1.93 115.95 117.72 2oba h TRP 90 Ca 0.34 0.01 -0.08 0.00 1.13 0.00 0.00 58.89 60.30 2oba h TRP 90 Cb 0.06 0.01 -0.03 0.00 -0.51 0.00 0.00 29.16 28.69 2oba h TRP 90 CO -0.03 0.01 0.12 1.96 -1.03 0.00 0.00 178.44 179.46 2oba h GLN 91 N 0.10 1.10 -0.44 2.65 4.20 -0.44 0.36 115.11 122.64 2oba h GLN 91 Ca 0.09 -0.29 -0.03 0.00 0.06 0.00 0.00 58.65 58.48 2oba h GLN 91 Cb 0.10 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 2oba h GLN 91 CO -0.13 1.00 0.13 1.96 -0.67 0.00 0.00 178.83 181.12 2oba h GLN 92 N 1.02 0.65 0.08 1.46 1.08 -1.02 -3.32 115.11 115.06 2oba h GLN 92 Ca 0.20 -0.10 -0.34 0.00 -1.45 0.00 0.00 58.65 56.96 2oba h GLN 92 Cb 0.43 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.72 2oba h GLN 92 CO 0.01 0.57 -1.93 1.28 -0.95 0.00 0.00 178.83 177.81 2oba n LEU 93 N -4.33 2.06 -0.28 1.46 4.77 -0.74 -4.49 117.00 115.45 2oba n LEU 93 Ca 0.03 0.26 0.02 0.00 -0.03 0.00 0.00 56.01 56.29 2oba n LEU 93 Cb 0.18 -0.69 0.16 0.00 -2.33 0.00 0.00 43.42 40.74 2oba n LEU 93 CO 0.38 0.71 1.13 0.50 -1.33 0.00 0.00 177.39 178.78 2oba h LYS 94 N 0.05 0.75 0.00 3.23 1.63 -1.04 0.22 116.57 121.41 2oba h LYS 94 Ca -0.39 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.37 2oba h LYS 94 Cb 2.03 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 33.49 2oba h LYS 94 CO 0.08 0.50 0.00 -1.00 -3.45 0.00 0.00 179.45 175.58 2oba h PRO 95 N 0.77 0.00 0.00 1.90 0.13 -1.79 -2.89 132.00 130.13 2oba h PRO 95 Ca 0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.51 2oba h PRO 95 Cb 0.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.46 2oba h PRO 95 CO -0.24 0.00 -1.19 1.28 -0.23 0.00 0.00 178.00 177.62 2oba n LEU 96 N -3.02 0.80 -3.05 1.56 4.77 -0.09 -4.67 117.00 113.30 2oba n LEU 96 Ca -0.00 -0.40 -0.16 0.00 -0.03 0.00 0.00 56.01 55.42 2oba n LEU 96 Cb 0.25 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.30 2oba n LEU 96 CO 0.25 0.20 -0.09 -0.11 -1.33 0.00 0.00 177.39 176.31 2oba n LEU 97 N -1.65 -1.71 -0.07 2.23 7.94 -0.31 -5.02 117.00 118.41 2oba n LEU 97 Ca 0.02 -3.79 0.20 0.00 -1.11 0.00 0.00 56.01 51.33 2oba n LEU 97 Cb 0.38 0.68 0.64 0.00 0.53 0.00 0.00 43.42 45.64 2oba n LEU 97 CO 0.43 1.95 1.20 -0.65 -1.11 0.00 0.00 177.39 179.21 2oba h PRO 98 N 4.88 0.12 -0.01 1.96 0.11 -1.82 -1.78 132.00 135.46 2oba h PRO 98 Ca 0.10 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.20 2oba h PRO 98 Cb 0.99 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2oba h PRO 98 CO 0.27 0.08 0.00 -0.85 -0.21 0.00 0.00 178.00 177.28 2oba n GLU 99 N -4.40 1.09 -1.64 1.05 0.00 -1.26 -4.86 120.64 110.61 2oba n GLU 99 Ca 0.12 -0.13 -0.55 0.00 0.00 0.00 0.00 57.16 56.60 2oba n GLU 99 Cb 0.62 -1.42 -0.07 0.00 0.00 0.00 0.00 31.44 30.57 2oba n GLU 99 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 2oba n LEU 100 N -0.77 1.89 -0.00 -1.84 7.94 -0.67 -2.12 117.00 121.43 2oba n LEU 100 Ca 0.20 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 56.20 2oba n LEU 100 Cb 0.12 -1.15 -0.00 0.00 0.53 0.00 0.00 43.42 42.92 2oba n LEU 100 CO 0.15 -0.81 -0.37 -1.54 -1.11 0.00 0.00 177.39 173.71 2oba n SER 101 N 3.72 3.61 -3.64 1.96 3.41 -0.30 -4.86 113.62 117.51 2oba n SER 101 Ca 0.22 -0.13 -0.06 0.00 -0.26 0.00 0.00 58.87 58.64 2oba n SER 101 Cb 0.16 1.02 -0.07 0.00 -0.26 0.00 0.00 64.21 65.06 2oba n SER 101 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2oba s LYS 102 N -1.78 0.46 -0.11 4.33 2.20 -1.21 -4.56 119.74 119.06 2oba s LYS 102 Ca -0.00 0.67 0.02 0.00 -0.36 0.00 0.00 55.97 56.30 2oba s LYS 102 Cb 0.00 0.16 -0.01 0.00 -1.51 0.00 0.00 37.83 36.47 2oba s LYS 102 CO 0.02 -0.08 -0.19 0.08 -0.36 0.00 0.00 175.35 174.83 2oba s VAL 103 N 0.84 2.53 -0.15 4.02 1.01 -0.17 -0.92 120.40 127.57 2oba s VAL 103 Ca -0.03 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.12 2oba s VAL 103 Cb -0.04 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.33 2oba s VAL 103 CO -0.11 0.54 -0.21 -0.13 0.00 0.00 0.00 175.10 175.19 2oba s ARG 104 N 0.33 2.97 -0.09 2.72 0.52 -0.77 -0.96 118.95 123.67 2oba s ARG 104 Ca -0.15 -0.83 0.03 0.00 -0.52 0.00 0.00 55.73 54.25 2oba s ARG 104 Cb -0.17 -2.45 -0.02 0.00 0.52 0.00 0.00 34.95 32.84 2oba s ARG 104 CO 0.07 -0.07 -0.17 0.14 0.02 0.00 0.00 175.30 175.29 2oba s VAL 105 N 0.95 2.75 -0.43 3.52 -7.23 0.24 -0.82 120.40 119.38 2oba s VAL 105 Ca -0.04 -0.80 -0.08 0.00 -1.81 0.00 0.00 61.98 59.26 2oba s VAL 105 Cb -0.15 -2.09 0.10 0.00 0.56 0.00 0.00 36.38 34.80 2oba s VAL 105 CO -0.05 0.56 0.27 -1.00 -0.31 0.00 0.00 175.10 174.57 2oba s HIS 106 N -0.04 3.42 0.19 2.82 3.76 0.60 -0.74 115.29 125.29 2oba s HIS 106 Ca -0.04 -1.86 -0.12 0.00 -0.15 0.00 0.00 55.06 52.89 2oba s HIS 106 Cb -0.14 -3.18 0.17 0.00 1.11 0.00 0.00 32.58 30.53 2oba s HIS 106 CO 0.04 -0.93 1.79 1.49 -0.85 0.00 0.00 174.74 176.29 2oba h GLU 107 N 8.33 0.54 -4.99 1.40 4.81 -1.85 -1.87 114.58 120.96 2oba h GLU 107 Ca -0.20 -0.03 -0.49 0.00 -0.13 0.00 0.00 59.36 58.51 2oba h GLU 107 Cb 1.07 -0.12 -0.14 0.00 0.63 0.00 0.00 28.75 30.19 2oba h GLU 107 CO 0.78 0.36 -0.54 0.95 -0.73 0.00 0.00 179.01 179.82 2oba s THR 108 N -6.12 0.53 -0.01 0.32 -4.23 -1.26 -4.47 115.64 100.40 2oba s THR 108 Ca -0.13 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 58.69 2oba s THR 108 Cb 0.14 -2.48 0.33 0.00 1.34 0.00 0.00 72.50 71.84 2oba s THR 108 CO 0.74 0.00 1.93 0.00 -0.54 0.00 0.00 174.62 176.75 2oba n THR 110 N -2.71 1.91 -3.82 0.00 -2.24 -1.26 -5.03 114.28 101.12 2oba n THR 110 Ca 0.00 -2.35 -0.10 0.00 -2.27 0.00 0.00 64.05 59.33 2oba n THR 110 Cb 0.20 -0.23 -0.08 0.00 -2.10 0.00 0.00 70.33 68.12 2oba n THR 110 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2oba s SER 111 N -2.90 0.01 -0.11 3.42 1.04 -1.17 -5.15 113.70 108.84 2oba s SER 111 Ca 0.32 -0.38 -0.30 0.00 0.48 0.00 0.00 55.95 56.08 2oba s SER 111 Cb 0.29 0.32 0.09 0.00 0.10 0.00 0.00 66.02 66.81 2oba s SER 111 CO 0.02 -0.60 0.77 -0.83 0.98 0.00 0.00 173.24 173.58 2oba s GLY 112 N -2.23 -0.48 0.03 7.32 0.00 -1.26 -4.19 107.32 106.51 2oba s GLY 112 Ca -0.03 1.63 0.03 0.00 0.00 0.00 0.00 44.72 46.34 2oba s GLY 112 CO -0.05 1.11 -0.08 0.00 0.00 0.00 0.00 173.10 174.07 2oba s GLU 114 N -1.08 0.53 -0.03 0.00 2.12 -1.26 -0.59 118.70 118.38 2oba s GLU 114 Ca -0.04 -0.05 0.04 0.00 0.36 0.00 0.00 54.97 55.28 2oba s GLU 114 Cb -0.07 -0.60 -0.01 0.00 0.26 0.00 0.00 34.13 33.72 2oba s GLU 114 CO 0.00 -0.06 -0.16 -0.47 -0.54 0.00 0.00 175.26 174.04 2oba s TYR 115 N 0.72 1.51 -0.18 5.30 5.04 -0.13 -5.00 117.35 124.61 2oba s TYR 115 Ca -0.08 -0.37 0.15 0.00 -2.44 0.00 0.00 57.07 54.33 2oba s TYR 115 Cb -0.12 -1.01 0.37 0.00 0.35 0.00 0.00 41.96 41.56 2oba s TYR 115 CO -0.01 -0.10 1.21 0.54 -1.34 0.00 0.00 175.55 175.86 2oba n ARG 116 N 2.97 1.52 -0.84 4.97 1.74 -1.26 -1.00 116.66 124.76 2oba n ARG 116 Ca -0.17 -2.93 0.00 0.00 -0.77 0.00 0.00 57.85 53.98 2oba n ARG 116 Cb 0.54 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 2oba n ARG 116 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2oba n GLY 117 N -1.24 0.49 0.44 -0.13 0.00 -1.26 -4.89 105.19 98.59 2oba n GLY 117 Ca 0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.35 2oba n GLY 117 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66