#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oba s HIS 0 N 0.00 3.62 -0.10 7.33 5.65 -1.26 -0.18 115.29 130.35 2oba s HIS 0 Ca 0.00 0.77 -0.04 0.00 0.25 0.00 0.00 55.06 56.04 2oba s HIS 0 Cb 0.00 -2.14 0.05 0.00 -1.18 0.00 0.00 32.58 29.31 2oba s HIS 0 CO 0.00 0.58 0.21 -2.00 -0.65 0.00 0.00 174.74 172.88 2oba s GLU 2 N -1.63 0.13 0.15 2.88 2.12 -1.26 -4.97 118.70 116.12 2oba s GLU 2 Ca 0.28 0.54 0.06 0.00 0.36 0.00 0.00 54.97 56.21 2oba s GLU 2 Cb -0.14 -0.15 -0.04 0.00 0.26 0.00 0.00 34.13 34.06 2oba s GLU 2 CO 0.16 -0.22 0.07 -0.51 -0.54 0.00 0.00 175.26 174.22 2oba s LEU 3 N 1.67 3.60 0.11 2.70 1.02 0.01 -4.94 118.68 122.85 2oba s LEU 3 Ca -0.05 -0.21 -0.01 0.00 0.02 0.00 0.00 54.13 53.88 2oba s LEU 3 Cb -0.11 -2.25 -0.04 0.00 0.02 0.00 0.00 46.19 43.81 2oba s LEU 3 CO -0.07 0.10 0.03 0.72 0.02 0.00 0.00 176.35 177.15 2oba s PHE 4 N -1.65 0.78 -0.00 0.29 -0.71 -1.26 -0.44 117.98 114.99 2oba s PHE 4 Ca 0.29 -1.20 0.00 0.00 -1.04 0.00 0.00 56.93 54.99 2oba s PHE 4 Cb -0.10 -0.46 0.00 0.00 -1.21 0.00 0.00 43.02 41.25 2oba s PHE 4 CO 0.21 -0.49 -0.00 0.21 -1.34 0.00 0.00 175.22 173.81 2oba s LYS 5 N -4.02 0.05 -0.02 1.99 2.47 -0.47 -4.94 119.74 114.79 2oba s LYS 5 Ca 0.20 0.01 0.03 0.00 -1.56 0.00 0.00 55.97 54.65 2oba s LYS 5 Cb 0.08 -0.10 -0.03 0.00 -1.46 0.00 0.00 37.83 36.32 2oba s LYS 5 CO -0.01 -0.02 -0.11 -2.00 0.16 0.00 0.00 175.35 173.38 2oba s GLU 6 N 0.18 2.52 0.09 4.03 2.12 -1.26 -0.70 118.70 125.67 2oba s GLU 6 Ca -0.01 -0.71 0.04 0.00 0.36 0.00 0.00 54.97 54.65 2oba s GLU 6 Cb -0.03 -2.44 -0.03 0.00 0.26 0.00 0.00 34.13 31.89 2oba s GLU 6 CO -0.01 0.62 -0.11 -0.06 -0.54 0.00 0.00 175.26 175.16 2oba s PHE 7 N -0.86 1.10 -0.21 5.30 0.08 -0.05 -4.99 117.98 118.35 2oba s PHE 7 Ca 0.14 -0.57 -0.02 0.00 0.12 0.00 0.00 56.93 56.60 2oba s PHE 7 Cb -0.11 -0.60 0.01 0.00 -0.57 0.00 0.00 43.02 41.75 2oba s PHE 7 CO 0.04 0.02 -0.10 0.99 -0.10 0.00 0.00 175.22 176.07 2oba s THR 8 N -1.97 2.80 -0.14 0.64 2.01 -1.26 -0.64 115.64 117.07 2oba s THR 8 Ca 0.02 -0.78 -0.03 0.00 0.31 0.00 0.00 61.69 61.21 2oba s THR 8 Cb -0.06 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 70.14 2oba s THR 8 CO 0.01 0.40 -0.03 0.72 -0.69 0.00 0.00 174.62 175.03 2oba s PHE 9 N 1.37 3.04 -0.51 4.92 -0.71 0.52 -4.94 117.98 121.67 2oba s PHE 9 Ca 0.04 -0.22 -0.18 0.00 -1.04 0.00 0.00 56.93 55.53 2oba s PHE 9 Cb -0.14 -1.93 0.07 0.00 -1.21 0.00 0.00 43.02 39.81 2oba s PHE 9 CO -0.07 0.04 0.55 -1.21 -1.34 0.00 0.00 175.22 173.19 2oba s GLU 10 N 0.18 3.06 0.10 1.99 0.41 -1.26 0.09 118.70 123.26 2oba s GLU 10 Ca -0.02 -1.16 0.04 0.00 -0.41 0.00 0.00 54.97 53.43 2oba s GLU 10 Cb -0.14 -4.15 -0.04 0.00 -1.78 0.00 0.00 34.13 28.03 2oba s GLU 10 CO 0.03 -1.21 -0.11 -1.12 -0.49 0.00 0.00 175.26 172.36 2oba s SER 11 N 2.86 1.53 0.10 -0.19 0.01 -0.77 -0.61 113.70 116.64 2oba s SER 11 Ca 0.10 -0.81 -0.06 0.00 1.31 0.00 0.00 55.95 56.50 2oba s SER 11 Cb -0.22 -0.00 -0.05 0.00 0.21 0.00 0.00 66.02 65.95 2oba s SER 11 CO 0.09 -0.24 0.36 0.00 0.41 0.00 0.00 173.24 173.85 2oba s ALA 12 N -2.37 3.79 0.22 1.44 0.00 -0.70 -1.25 121.76 122.90 2oba s ALA 12 Ca 0.06 -0.53 -0.17 0.00 0.00 0.00 0.00 51.96 51.32 2oba s ALA 12 Cb -0.03 -2.14 0.02 0.00 0.00 0.00 0.00 23.12 20.97 2oba s ALA 12 CO 0.00 0.65 0.54 -3.38 0.00 0.00 0.00 175.76 173.57 2oba s HIS 13 N -1.54 -0.01 -0.02 0.00 -3.43 0.65 -0.66 115.29 110.28 2oba s HIS 13 Ca 0.37 -0.35 -0.09 0.00 -0.80 0.00 0.00 55.06 54.18 2oba s HIS 13 Cb -0.13 0.39 0.01 0.00 -1.43 0.00 0.00 32.58 31.42 2oba s HIS 13 CO 0.22 -0.98 0.20 -0.98 -2.00 0.00 0.00 174.74 171.20 2oba s ARG 14 N -3.91 0.48 -0.28 -0.38 1.70 -1.26 -1.39 118.95 113.91 2oba s ARG 14 Ca 0.13 -0.20 -0.16 0.00 -0.47 0.00 0.00 55.73 55.03 2oba s ARG 14 Cb -0.02 0.21 -0.03 0.00 -0.57 0.00 0.00 34.95 34.54 2oba s ARG 14 CO 0.01 -0.11 0.41 -0.51 -1.08 0.00 0.00 175.30 174.02 2oba s LEU 15 N -1.05 4.11 0.44 -1.89 1.43 0.76 -4.53 118.68 117.96 2oba s LEU 15 Ca -0.11 0.25 0.26 0.00 -1.03 0.00 0.00 54.13 53.49 2oba s LEU 15 Cb -0.06 -2.47 0.61 0.00 0.03 0.00 0.00 46.19 44.30 2oba s LEU 15 CO 0.02 -0.25 1.71 1.55 0.23 0.00 0.00 176.35 179.61 2oba h PRO 16 N 8.21 0.00 -0.25 1.29 0.13 -1.87 -3.35 132.00 136.16 2oba h PRO 16 Ca -0.31 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.82 2oba h PRO 16 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 2oba h PRO 16 CO 0.67 0.00 -0.00 0.72 -0.23 0.00 0.00 178.00 179.16 2oba n HIS 17 N -3.02 0.89 -3.19 1.56 8.25 -1.26 -4.97 115.22 113.48 2oba n HIS 17 Ca 0.03 -0.91 -0.32 0.00 -0.26 0.00 0.00 57.72 56.27 2oba n HIS 17 Cb 0.47 -0.31 -0.05 0.00 1.12 0.00 0.00 29.99 31.22 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 -2.85 4.80 0.94 1.59 -7.23 -1.25 -5.07 120.40 111.33 2oba s VAL 18 Ca 0.42 0.69 -0.12 0.00 -1.81 0.00 0.00 61.98 61.16 2oba s VAL 18 Cb 0.34 -3.64 0.06 0.00 0.56 0.00 0.00 36.38 33.70 2oba s VAL 18 CO 0.08 -0.21 0.58 -0.81 -0.31 0.00 0.00 175.10 174.43 2oba n PRO 19 N -0.49 -0.33 -0.35 4.82 -0.04 -1.26 -4.85 135.00 132.50 2oba n PRO 19 Ca 0.02 -0.05 0.11 0.00 -0.04 0.00 0.00 63.50 63.54 2oba n PRO 19 Cb 0.53 -1.98 0.29 0.00 -0.04 0.00 0.00 33.50 32.30 2oba n PRO 19 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2oba h GLU 20 N -1.65 0.76 -0.13 0.54 4.11 -1.99 -2.03 114.58 114.20 2oba h GLU 20 Ca -0.43 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 58.95 2oba h GLU 20 Cb 1.28 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2oba h GLU 20 CO 0.36 0.50 0.00 0.41 0.07 0.00 0.00 179.01 180.35 2oba n GLY 21 N -1.33 -0.05 3.70 1.06 0.00 -1.26 -4.96 105.19 102.35 2oba n GLY 21 Ca 0.21 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.84 3.53 0.55 1.61 2.46 -0.77 -4.92 115.29 115.91 2oba s HIS 22 Ca 0.30 1.55 0.37 0.00 0.47 0.00 0.00 55.06 57.74 2oba s HIS 22 Cb 0.16 -3.22 1.55 0.00 -0.13 0.00 0.00 32.58 30.93 2oba s HIS 22 CO 0.24 -0.43 1.80 1.57 -2.47 0.00 0.00 174.74 175.45 2oba h LYS 23 N 6.95 0.00 0.00 2.88 2.10 -1.92 0.06 116.57 126.63 2oba h LYS 23 Ca -0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 2oba h LYS 23 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 2oba h LYS 23 CO 0.80 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 178.25 2oba n GLY 25 N 0.85 -1.40 3.84 0.00 0.00 0.01 -0.17 105.19 108.32 2oba n GLY 25 Ca 0.04 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.92 4.05 -0.00 1.61 0.52 -1.15 -4.69 118.95 116.37 2oba s ARG 26 Ca 0.16 0.74 -0.30 0.00 -0.52 0.00 0.00 55.73 55.81 2oba s ARG 26 Cb 0.18 -2.44 -0.08 0.00 0.52 0.00 0.00 34.95 33.14 2oba s ARG 26 CO 0.49 0.16 1.86 -1.17 0.02 0.00 0.00 175.30 176.65 2oba s LEU 27 N -2.92 4.37 0.00 2.53 2.96 -1.26 -4.53 118.68 119.83 2oba s LEU 27 Ca 0.54 2.49 0.00 0.00 -0.22 0.00 0.00 54.13 56.94 2oba s LEU 27 Cb -0.11 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.05 2oba s LEU 27 CO 0.17 -1.03 0.00 0.00 -1.32 0.00 0.00 176.35 174.17 2oba n HIS 28 N 7.50 -0.09 -3.83 5.38 1.44 -0.48 -5.01 115.22 120.14 2oba n HIS 28 Ca 0.19 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.85 2oba n HIS 28 Cb 0.42 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.54 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 -0.22 0.10 0.10 -1.39 0.00 -1.26 -0.26 107.32 104.39 2oba s GLY 29 Ca 0.00 -0.37 -0.16 0.00 0.00 0.00 0.00 44.72 44.19 2oba s GLY 29 CO 0.00 0.67 0.38 0.30 0.00 0.00 0.00 173.10 174.45 2oba s HIS 30 N -2.69 -0.17 -0.84 1.90 3.76 -0.38 -4.93 115.29 111.95 2oba s HIS 30 Ca 0.16 -0.10 -0.21 0.00 -0.15 0.00 0.00 55.06 54.77 2oba s HIS 30 Cb -0.04 0.21 0.09 0.00 1.11 0.00 0.00 32.58 33.96 2oba s HIS 30 CO 0.07 -0.65 1.12 -1.12 -0.85 0.00 0.00 174.74 173.31 2oba s SER 31 N -2.63 6.42 0.10 1.40 0.01 -1.26 -1.84 113.70 115.90 2oba s SER 31 Ca 0.01 -1.49 -0.30 0.00 1.31 0.00 0.00 55.95 55.48 2oba s SER 31 Cb 0.02 -2.44 -0.06 0.00 0.21 0.00 0.00 66.02 63.75 2oba s SER 31 CO -0.10 -1.31 0.97 -0.36 0.41 0.00 0.00 173.24 172.86 2oba s PHE 32 N 3.68 3.79 -0.17 2.43 0.08 0.11 -4.72 117.98 123.18 2oba s PHE 32 Ca 0.31 1.78 -0.04 0.00 0.12 0.00 0.00 56.93 59.10 2oba s PHE 32 Cb -0.09 -3.07 -0.03 0.00 -0.57 0.00 0.00 43.02 39.26 2oba s PHE 32 CO -0.01 0.13 -0.02 1.03 -0.10 0.00 0.00 175.22 176.25 2oba s ARG 33 N 0.07 3.68 -0.11 0.44 0.52 -0.60 -0.35 118.95 122.59 2oba s ARG 33 Ca 0.48 -0.51 0.03 0.00 -0.52 0.00 0.00 55.73 55.21 2oba s ARG 33 Cb -0.23 -2.97 0.00 0.00 0.52 0.00 0.00 34.95 32.27 2oba s ARG 33 CO 0.30 0.19 -0.22 0.54 0.02 0.00 0.00 175.30 176.13 2oba s VAL 34 N 0.50 2.20 -0.14 3.52 0.11 0.19 -0.17 120.40 126.61 2oba s VAL 34 Ca -0.02 -0.96 -0.05 0.00 -2.93 0.00 0.00 61.98 58.02 2oba s VAL 34 Cb -0.14 -1.86 -0.04 0.00 -1.53 0.00 0.00 36.38 32.81 2oba s VAL 34 CO 0.02 0.55 0.04 0.00 -3.33 0.00 0.00 175.10 172.38 2oba s ALA 35 N 0.46 3.37 -0.26 1.54 0.00 0.31 -0.87 121.76 126.30 2oba s ALA 35 Ca -0.15 -0.76 -0.03 0.00 0.00 0.00 0.00 51.96 51.02 2oba s ALA 35 Cb -0.17 -1.72 0.02 0.00 0.00 0.00 0.00 23.12 21.25 2oba s ALA 35 CO 0.06 0.38 -0.02 0.42 0.00 0.00 0.00 175.76 176.60 2oba s ILE 36 N -0.25 3.14 -0.09 0.00 1.01 0.12 -2.02 121.20 123.12 2oba s ILE 36 Ca 0.07 -0.97 -0.03 0.00 0.00 0.00 0.00 60.65 59.72 2oba s ILE 36 Cb -0.12 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 2oba s ILE 36 CO 0.02 0.15 0.05 -1.00 0.00 0.00 0.00 174.94 174.16 2oba s HIS 37 N 1.36 3.30 0.19 3.97 3.76 -0.31 -1.37 115.29 126.18 2oba s HIS 37 Ca 0.00 0.29 0.09 0.00 -0.15 0.00 0.00 55.06 55.29 2oba s HIS 37 Cb -0.17 -1.83 -0.04 0.00 1.11 0.00 0.00 32.58 31.65 2oba s HIS 37 CO -0.03 0.56 -0.18 0.96 -0.85 0.00 0.00 174.74 175.20 2oba s ILE 38 N -0.95 1.88 0.05 0.60 -4.36 0.42 -0.59 121.20 118.25 2oba s ILE 38 Ca 0.15 -2.04 0.05 0.00 -0.26 0.00 0.00 60.65 58.55 2oba s ILE 38 Cb -0.12 -1.95 -0.03 0.00 1.25 0.00 0.00 42.46 41.62 2oba s ILE 38 CO 0.04 -0.39 -0.15 -1.61 0.24 0.00 0.00 174.94 173.07 2oba s GLU 39 N -3.07 0.94 0.00 0.37 2.02 -0.71 -0.81 118.70 117.45 2oba s GLU 39 Ca 0.19 -0.87 0.00 0.00 0.02 0.00 0.00 54.97 54.31 2oba s GLU 39 Cb -0.04 -0.98 0.00 0.00 0.10 0.00 0.00 34.13 33.20 2oba s GLU 39 CO 0.08 0.24 0.00 0.41 0.02 0.00 0.00 175.26 176.00 2oba n GLY 40 N 1.63 -1.83 3.77 -1.39 0.00 -1.26 -4.75 105.19 101.35 2oba n GLY 40 Ca -0.19 -1.13 -0.38 0.00 0.00 0.00 0.00 46.02 44.32 2oba n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2oba s GLU 41 N -1.77 4.16 0.01 1.61 2.02 -1.26 -4.24 118.70 119.23 2oba s GLU 41 Ca 0.00 0.39 -0.30 0.00 0.02 0.00 0.00 54.97 55.08 2oba s GLU 41 Cb 0.00 -3.34 -0.06 0.00 0.10 0.00 0.00 34.13 30.83 2oba s GLU 41 CO 0.00 0.39 1.44 0.08 0.02 0.00 0.00 175.26 177.19 2oba s VAL 42 N -0.12 3.62 0.02 2.63 1.01 0.75 -4.42 120.40 123.89 2oba s VAL 42 Ca 0.24 1.01 -0.30 0.00 0.00 0.00 0.00 61.98 62.92 2oba s VAL 42 Cb -0.16 -3.65 -0.07 0.00 0.00 0.00 0.00 36.38 32.51 2oba s VAL 42 CO 0.11 -0.00 1.53 -0.62 0.00 0.00 0.00 175.10 176.11 2oba s ASP 43 N 1.95 6.73 0.54 3.32 -1.08 -0.28 -4.92 116.67 122.93 2oba s ASP 43 Ca 0.65 2.27 0.28 0.00 -0.52 0.00 0.00 52.55 55.23 2oba s ASP 43 Cb -0.33 -2.56 1.45 0.00 -1.46 0.00 0.00 42.92 40.03 2oba s ASP 43 CO 0.27 -0.81 1.94 -0.65 0.52 0.00 0.00 175.17 176.45 2oba h PRO 44 N 8.21 0.00 0.02 4.34 0.11 -1.93 -0.75 132.00 142.00 2oba h PRO 44 Ca -0.40 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.55 2oba h PRO 44 Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2oba h PRO 44 CO 0.92 0.00 -0.87 1.25 -0.21 0.00 0.00 178.00 179.09 2oba h HIS 45 N 0.00 0.08 0.00 0.65 2.76 -1.96 -3.37 115.15 113.31 2oba h HIS 45 Ca 0.31 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.42 2oba h HIS 45 Cb 1.29 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.25 2oba h HIS 45 CO 0.00 1.34 0.00 1.79 -1.30 0.00 0.00 177.93 179.76 2oba h THR 46 N -0.88 0.00 -0.19 6.26 1.35 -1.97 -3.46 112.91 114.01 2oba h THR 46 Ca -0.23 -0.73 -0.08 0.00 -0.55 0.00 0.00 66.41 64.82 2oba h THR 46 Cb 1.28 1.71 -0.03 0.00 -1.73 0.00 0.00 68.15 69.38 2oba h THR 46 CO -0.09 0.00 -0.08 0.61 -0.25 0.00 0.00 175.52 175.71 2oba n GLY 47 N 0.91 0.56 3.35 5.82 0.00 -0.29 -5.00 105.19 110.54 2oba n GLY 47 Ca 0.04 -0.12 -0.18 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.71 1.65 -0.14 1.61 -2.14 -1.25 -4.86 118.94 112.10 2oba s TRP 48 Ca 0.00 -1.02 -0.19 0.00 2.66 0.00 0.00 56.10 57.55 2oba s TRP 48 Cb 0.00 -1.00 -0.17 0.00 -3.10 0.00 0.00 33.47 29.20 2oba s TRP 48 CO 0.00 -0.13 0.47 0.82 -2.66 0.00 0.00 176.95 175.45 2oba h ILE 49 N 2.36 1.14 -3.19 0.66 2.04 -1.92 -0.74 117.51 117.86 2oba h ILE 49 Ca -0.39 -1.90 -0.17 0.00 1.00 0.00 0.00 64.86 63.40 2oba h ILE 49 Cb 1.24 2.20 -0.25 0.00 -0.74 0.00 0.00 36.82 39.27 2oba h ILE 49 CO 0.65 0.39 -0.45 -0.60 0.00 0.00 0.00 178.15 178.14 2oba s ARG 50 N -2.05 0.29 0.02 2.37 6.06 -1.26 -4.81 118.95 119.57 2oba s ARG 50 Ca -0.14 0.27 -0.30 0.00 -2.50 0.00 0.00 55.73 53.05 2oba s ARG 50 Cb -0.01 0.14 -0.08 0.00 0.06 0.00 0.00 34.95 35.06 2oba s ARG 50 CO 0.47 -0.04 1.88 0.34 -2.50 0.00 0.00 175.30 175.45 2oba s ASP 51 N 0.00 6.50 0.47 -2.12 -1.08 -1.26 -4.88 116.67 114.29 2oba s ASP 51 Ca -0.01 2.56 0.20 0.00 -0.52 0.00 0.00 52.55 54.78 2oba s ASP 51 Cb -0.02 -2.53 1.19 0.00 -1.46 0.00 0.00 42.92 40.09 2oba s ASP 51 CO 0.00 -1.02 1.94 -0.26 0.52 0.00 0.00 175.17 176.35 2oba h PHE 52 N 10.28 0.31 -0.68 -5.34 0.04 -2.00 -1.52 116.94 118.03 2oba h PHE 52 Ca -0.47 0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.32 2oba h PHE 52 Cb 1.22 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 39.24 2oba h PHE 52 CO 0.94 0.12 0.45 0.00 -0.60 0.00 0.00 178.31 179.21 2oba h ALA 53 N 1.67 1.51 -0.08 2.45 0.00 -1.99 -1.30 119.26 121.51 2oba h ALA 53 Ca 0.34 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 55.02 2oba h ALA 53 Cb 0.96 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2oba h ALA 53 CO -0.08 0.45 -0.73 0.93 0.00 0.00 0.00 179.25 179.82 2oba h GLU 54 N 0.92 0.41 -0.37 0.00 5.08 -1.67 -1.40 114.58 117.56 2oba h GLU 54 Ca 0.25 -0.34 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 2oba h GLU 54 Cb -0.10 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2oba h GLU 54 CO -0.05 0.97 0.03 0.82 -1.00 0.00 0.00 179.01 179.78 2oba h ILE 55 N 0.28 1.25 -0.56 3.13 2.04 -1.32 -1.87 117.51 120.46 2oba h ILE 55 Ca -0.03 -0.91 -0.04 0.00 1.00 0.00 0.00 64.86 64.88 2oba h ILE 55 Cb 1.31 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.49 2oba h ILE 55 CO 0.13 0.31 0.21 0.50 0.00 0.00 0.00 178.15 179.29 2oba h LYS 56 N 0.45 0.86 -0.33 2.37 3.64 -1.22 0.13 116.57 122.46 2oba h LYS 56 Ca 0.11 -0.17 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 2oba h LYS 56 Cb 0.41 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 2oba h LYS 56 CO 0.01 0.75 -0.08 0.00 -2.27 0.00 0.00 179.45 177.86 2oba h ALA 57 N 1.06 1.24 -0.06 5.00 0.00 -1.16 0.69 119.26 126.03 2oba h ALA 57 Ca 0.19 -0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 2oba h ALA 57 Cb 0.23 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.88 2oba h ALA 57 CO -0.01 0.50 -0.58 0.82 0.00 0.00 0.00 179.25 179.98 2oba h ILE 58 N 0.52 1.38 0.00 0.00 2.04 -1.02 -3.31 117.51 117.11 2oba h ILE 58 Ca 0.10 -1.94 -0.13 0.00 1.00 0.00 0.00 64.86 63.89 2oba h ILE 58 Cb 0.46 2.33 -0.02 0.00 -0.74 0.00 0.00 36.82 38.85 2oba h ILE 58 CO 0.02 0.58 -0.63 0.15 0.00 0.00 0.00 178.15 178.27 2oba h PHE 59 N 0.08 0.00 -0.64 1.37 3.57 -0.63 -3.40 116.94 117.28 2oba h PHE 59 Ca -0.05 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.55 2oba h PHE 59 Cb 1.24 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 39.87 2oba h PHE 59 CO 0.12 0.63 -0.37 -0.22 -2.23 0.00 0.00 178.31 176.24 2oba h LYS 60 N 0.00 -0.15 0.00 1.11 3.64 -0.95 -1.61 116.57 118.62 2oba h LYS 60 Ca -0.01 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 2oba h LYS 60 Cb 1.31 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.16 2oba h LYS 60 CO 0.08 -0.10 -0.21 -1.00 -2.27 0.00 0.00 179.45 175.95 2oba h PRO 61 N -0.16 0.00 -0.15 1.90 0.13 -1.79 0.13 132.00 132.06 2oba h PRO 61 Ca 0.23 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.33 2oba h PRO 61 Cb 0.56 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 2oba h PRO 61 CO -0.72 0.21 -0.01 0.82 -0.23 0.00 0.00 178.00 178.06 2oba h ILE 62 N 0.00 1.27 -0.60 -3.56 2.04 -1.66 -2.70 117.51 112.30 2oba h ILE 62 Ca -0.00 -0.90 0.10 0.00 1.00 0.00 0.00 64.86 65.06 2oba h ILE 62 Cb 0.63 1.57 -0.08 0.00 -0.74 0.00 0.00 36.82 38.21 2oba h ILE 62 CO 0.03 0.26 0.20 0.22 0.00 0.00 0.00 178.15 178.86 2oba h TYR 63 N -0.01 0.35 0.00 1.37 3.20 -1.05 -2.34 116.97 118.49 2oba h TYR 63 Ca 0.04 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 2oba h TYR 63 Cb 0.41 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.62 2oba h TYR 63 CO 0.04 0.07 -0.01 0.93 -1.64 0.00 0.00 178.16 177.55 2oba h GLU 64 N 0.37 0.00 -0.08 1.82 5.08 -0.63 -0.60 114.58 120.54 2oba h GLU 64 Ca 0.31 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.42 2oba h GLU 64 Cb 0.40 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.67 2oba h GLU 64 CO -0.33 0.01 -0.90 1.96 -1.00 0.00 0.00 179.01 178.74 2oba h GLN 65 N 0.00 0.76 -0.08 2.33 4.20 -1.09 -3.34 115.11 117.89 2oba h GLN 65 Ca -0.00 -0.71 -0.08 0.00 0.06 0.00 0.00 58.65 57.93 2oba h GLN 65 Cb 0.02 0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2oba h GLN 65 CO 0.00 1.29 -0.24 -0.07 -0.67 0.00 0.00 178.83 179.14 2oba h LEU 66 N 0.48 0.36 -9.83 1.46 3.38 -1.22 -3.43 115.31 106.51 2oba h LEU 66 Ca -0.09 -0.60 -0.50 0.00 0.09 0.00 0.00 57.88 56.78 2oba h LEU 66 Cb 1.55 -0.10 0.02 0.00 0.09 0.00 0.00 40.66 42.21 2oba h LEU 66 CO 0.18 0.90 0.47 -0.62 0.09 0.00 0.00 178.44 179.46 2oba s ASP 67 N -6.27 7.17 -1.53 -0.43 2.15 -0.29 -3.24 116.67 114.22 2oba s ASP 67 Ca -0.14 2.24 -0.07 0.00 0.43 0.00 0.00 52.55 55.00 2oba s ASP 67 Cb 0.04 -2.62 0.06 0.00 -0.30 0.00 0.00 42.92 40.10 2oba s ASP 67 CO 0.76 -0.21 0.54 1.41 -0.17 0.00 0.00 175.17 177.49 2oba n HIS 68 N 0.96 -1.67 -3.94 -5.34 8.25 0.22 -4.90 115.22 108.80 2oba n HIS 68 Ca -0.00 0.76 -0.08 0.00 -0.26 0.00 0.00 57.72 58.14 2oba n HIS 68 Cb 0.46 -3.38 -0.08 0.00 1.12 0.00 0.00 29.99 28.10 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 -3.95 0.22 -0.41 0.41 0.01 -1.20 -5.04 114.94 104.97 2oba s ASN 69 Ca 0.29 -0.78 -0.27 0.00 -0.71 0.00 0.00 52.86 51.39 2oba s ASN 69 Cb -0.16 0.31 0.02 0.00 0.41 0.00 0.00 41.25 41.83 2oba s ASN 69 CO 0.91 -0.71 1.02 -0.47 -1.51 0.00 0.00 177.10 176.34 2oba s TYR 70 N -3.89 2.97 0.32 2.20 5.04 -1.26 -1.72 117.35 121.01 2oba s TYR 70 Ca 0.07 0.74 -0.00 0.00 -2.44 0.00 0.00 57.07 55.44 2oba s TYR 70 Cb 0.06 -3.97 0.52 0.00 0.35 0.00 0.00 41.96 38.92 2oba s TYR 70 CO -0.09 -1.01 1.97 -0.07 -1.34 0.00 0.00 175.55 175.00 2oba h LEU 71 N 10.54 0.83 -2.54 6.97 4.07 -1.21 -2.64 115.31 131.32 2oba h LEU 71 Ca -0.23 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.69 2oba h LEU 71 Cb 1.07 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.60 2oba h LEU 71 CO 1.05 0.63 0.00 0.78 -1.08 0.00 0.00 178.44 179.81 2oba h ASN 72 N 0.96 0.00 0.25 -0.43 4.21 -1.78 -1.76 115.58 117.03 2oba h ASN 72 Ca 0.25 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.76 2oba h ASN 72 Cb -0.05 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.15 2oba h ASN 72 CO -0.05 0.00 -0.07 0.47 -1.29 0.00 0.00 177.43 176.49 2oba n ASP 73 N -2.95 0.49 -4.68 5.81 8.00 -0.99 -4.42 116.55 117.80 2oba n ASP 73 Ca -0.02 -0.76 -0.41 0.00 0.71 0.00 0.00 54.79 54.31 2oba n ASP 73 Cb 0.10 -0.06 -0.04 0.00 -0.02 0.00 0.00 41.12 41.09 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 -2.32 4.93 0.07 0.53 1.01 -0.66 -5.00 121.20 119.76 2oba s ILE 74 Ca 0.34 1.58 -0.35 0.00 0.00 0.00 0.00 60.65 62.22 2oba s ILE 74 Cb 0.21 -4.11 -0.14 0.00 0.01 0.00 0.00 42.46 38.42 2oba s ILE 74 CO 0.43 0.10 1.62 -2.65 0.00 0.00 0.00 174.94 174.45 2oba n PRO 75 N 4.73 1.93 0.00 2.79 -0.02 -1.26 -0.50 135.00 142.67 2oba n PRO 75 Ca 0.03 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 2oba n PRO 75 Cb 0.50 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 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 3.54 2.49 2.17 -1.23 0.00 -1.26 -4.93 105.19 105.97 2oba n GLY 76 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 6.67 0.18 0.99 4.77 0.35 -4.70 117.00 125.25 2oba n LEU 77 Ca 0.00 -4.36 0.03 0.00 -0.03 0.00 0.00 56.01 51.65 2oba n LEU 77 Cb 0.00 -0.77 0.32 0.00 -2.33 0.00 0.00 43.42 40.64 2oba n LEU 77 CO 0.00 1.62 0.65 -0.33 -1.33 0.00 0.00 177.39 178.01 2oba h GLU 78 N 1.95 0.00 -3.13 3.23 3.07 -1.77 -3.25 114.58 114.68 2oba h GLU 78 Ca 0.52 0.00 -0.64 0.00 -0.50 0.00 0.00 59.36 58.74 2oba h GLU 78 Cb 1.18 0.00 -0.40 0.00 -0.84 0.00 0.00 28.75 28.68 2oba h GLU 78 CO 1.27 0.43 -0.45 -1.71 -1.40 0.00 0.00 179.01 177.15 2oba n ASN 79 N -3.80 3.34 -3.48 1.42 5.15 -1.26 -4.66 115.26 111.97 2oba n ASN 79 Ca -0.01 -3.20 -0.40 0.00 -0.60 0.00 0.00 54.58 50.37 2oba n ASN 79 Cb 0.49 -0.83 -0.01 0.00 -0.53 0.00 0.00 39.78 38.90 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 2.02 3.89 -1.65 1.20 -0.04 -1.22 -4.69 135.00 134.51 2oba n PRO 80 Ca 0.21 -2.81 -0.29 0.00 -0.04 0.00 0.00 63.50 60.56 2oba n PRO 80 Cb 0.35 -2.82 0.14 0.00 -0.04 0.00 0.00 33.50 31.13 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 0.99 1.97 0.18 0.52 -4.23 -1.26 -4.81 115.64 109.00 2oba s THR 81 Ca 0.59 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.99 2oba s THR 81 Cb 0.17 -2.83 0.09 0.00 1.34 0.00 0.00 72.50 71.27 2oba s THR 81 CO -0.07 0.00 1.71 0.28 -0.54 0.00 0.00 174.62 176.00 2oba h SER 82 N -1.47 0.95 -0.62 3.99 0.02 -1.97 0.15 113.55 114.61 2oba h SER 82 Ca -0.48 -0.21 0.03 0.00 -0.84 0.00 0.00 61.79 60.29 2oba h SER 82 Cb 1.32 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 63.57 2oba h SER 82 CO 0.58 0.91 0.37 -0.33 -1.14 0.00 0.00 176.83 177.22 2oba h GLU 83 N 0.94 0.70 -0.08 3.45 3.07 -1.96 -1.11 114.58 119.58 2oba h GLU 83 Ca 0.21 -0.04 -0.22 0.00 -0.50 0.00 0.00 59.36 58.81 2oba h GLU 83 Cb 0.31 -0.16 0.01 0.00 -0.84 0.00 0.00 28.75 28.07 2oba h GLU 83 CO -0.00 0.46 -0.83 -0.91 -1.40 0.00 0.00 179.01 176.33 2oba h ASN 84 N 0.72 0.71 -0.36 1.42 2.35 -1.76 -2.10 115.58 116.56 2oba h ASN 84 Ca 0.26 -0.50 0.08 0.00 -0.55 0.00 0.00 56.30 55.58 2oba h ASN 84 Cb 0.06 -0.21 -0.08 0.00 0.05 0.00 0.00 38.32 38.13 2oba h ASN 84 CO -0.12 1.28 -0.25 -0.07 -1.65 0.00 0.00 177.43 176.62 2oba h LEU 85 N 0.38 -0.83 -0.24 1.61 3.38 -0.47 0.16 115.31 119.30 2oba h LEU 85 Ca -0.06 0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.12 2oba h LEU 85 Cb 1.44 0.41 -0.04 0.00 0.09 0.00 0.00 40.66 42.56 2oba h LEU 85 CO 0.16 -0.27 -0.05 0.00 0.09 0.00 0.00 178.44 178.36 2oba h ARG 87 N 0.01 0.27 -0.33 0.00 2.43 -1.09 -0.99 114.38 114.69 2oba h ARG 87 Ca 0.11 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.28 2oba h ARG 87 Cb 0.17 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 2oba h ARG 87 CO -0.23 0.32 0.11 2.35 -1.51 0.00 0.00 179.97 181.01 2oba h TRP 88 N 0.15 0.19 -0.70 2.20 7.01 -0.50 -0.72 115.95 123.59 2oba h TRP 88 Ca 0.06 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.05 2oba h TRP 88 Cb 0.15 -0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 27.14 2oba h TRP 88 CO -0.02 0.08 0.34 0.82 -2.79 0.00 0.00 178.44 176.87 2oba h ILE 89 N 0.24 1.23 -0.51 2.65 2.04 -0.85 -1.82 117.51 120.48 2oba h ILE 89 Ca 0.15 -0.64 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 2oba h ILE 89 Cb 0.13 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 2oba h ILE 89 CO -0.16 0.27 0.25 -0.25 0.00 0.00 0.00 178.15 178.26 2oba h TRP 90 N 0.97 0.73 -0.95 1.37 2.91 -0.73 -1.87 115.95 118.37 2oba h TRP 90 Ca 0.24 -0.03 0.05 0.00 1.13 0.00 0.00 58.89 60.28 2oba h TRP 90 Cb 0.11 -0.23 -0.06 0.00 -0.51 0.00 0.00 29.16 28.47 2oba h TRP 90 CO 0.00 0.56 0.61 1.96 -1.03 0.00 0.00 178.44 180.55 2oba h GLN 91 N 0.68 1.11 -0.07 2.65 4.20 -0.82 -0.54 115.11 122.32 2oba h GLN 91 Ca 0.18 -0.07 -0.16 0.00 0.06 0.00 0.00 58.65 58.66 2oba h GLN 91 Cb 0.10 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 2oba h GLN 91 CO -0.02 0.74 -0.65 1.96 -0.67 0.00 0.00 178.83 180.18 2oba h GLN 92 N 1.15 0.29 0.00 1.46 1.08 -1.02 -3.38 115.11 114.69 2oba h GLN 92 Ca 0.40 -0.22 -0.35 0.00 -1.45 0.00 0.00 58.65 57.04 2oba h GLN 92 Cb 0.10 0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 27.50 2oba h GLN 92 CO -0.15 0.84 -2.31 -0.11 -0.95 0.00 0.00 178.83 176.15 2oba n LEU 93 N -3.85 2.48 -0.32 1.46 0.00 -0.73 -4.58 117.00 111.45 2oba n LEU 93 Ca -0.03 -0.10 0.08 0.00 0.00 0.00 0.00 56.01 55.95 2oba n LEU 93 Cb 0.65 -0.60 0.24 0.00 0.00 0.00 0.00 43.42 43.71 2oba n LEU 93 CO 0.46 0.82 1.15 0.50 0.00 0.00 0.00 177.39 180.31 2oba h LYS 94 N 0.00 0.71 0.00 1.96 1.63 -1.27 -0.57 116.57 119.02 2oba h LYS 94 Ca -0.51 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.23 2oba h LYS 94 Cb 1.86 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 33.33 2oba h LYS 94 CO -0.06 0.47 -0.05 -1.35 -3.45 0.00 0.00 179.45 175.00 2oba h PRO 95 N 0.73 0.00 -0.01 1.90 0.11 -1.81 -2.86 132.00 130.07 2oba h PRO 95 Ca 0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.59 2oba h PRO 95 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 2oba h PRO 95 CO -0.34 0.05 -0.26 1.28 -0.21 0.00 0.00 178.00 178.53 2oba n LEU 96 N -3.23 1.84 -3.14 2.35 4.77 -0.34 -4.71 117.00 114.54 2oba n LEU 96 Ca -0.01 -0.82 -0.16 0.00 -0.03 0.00 0.00 56.01 55.00 2oba n LEU 96 Cb 0.27 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.31 2oba n LEU 96 CO 0.27 0.34 -0.11 -0.22 -1.33 0.00 0.00 177.39 176.34 2oba s LEU 97 N -1.92 -0.01 0.50 2.23 2.96 -0.50 -5.02 118.68 116.92 2oba s LEU 97 Ca 0.15 -2.27 0.28 0.00 -0.22 0.00 0.00 54.13 52.08 2oba s LEU 97 Cb 0.14 0.69 1.28 0.00 0.50 0.00 0.00 46.19 48.80 2oba s LEU 97 CO 0.37 -0.14 1.98 1.55 -1.32 0.00 0.00 176.35 178.79 2oba h PRO 98 N 5.64 0.00 0.00 0.98 0.13 -1.84 -1.77 132.00 135.15 2oba h PRO 98 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2oba h PRO 98 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2oba h PRO 98 CO 0.20 0.14 0.00 -0.85 -0.23 0.00 0.00 178.00 177.25 2oba n GLU 99 N -3.41 0.62 -1.69 0.86 0.00 -1.26 -4.81 120.64 110.95 2oba n GLU 99 Ca -0.01 0.02 -0.57 0.00 0.00 0.00 0.00 57.16 56.60 2oba n GLU 99 Cb 0.32 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 30.19 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 -1.11 2.14 -0.01 -1.84 7.94 -0.66 -1.74 117.00 121.72 2oba n LEU 100 Ca 0.16 1.09 -0.00 0.00 -1.11 0.00 0.00 56.01 56.15 2oba n LEU 100 Cb 0.12 -1.13 -0.03 0.00 0.53 0.00 0.00 43.42 42.92 2oba n LEU 100 CO 0.16 -0.59 -0.60 -1.54 -1.11 0.00 0.00 177.39 173.71 2oba n SER 101 N 4.76 4.00 -3.64 1.96 3.41 0.24 -4.87 113.62 119.48 2oba n SER 101 Ca 0.25 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.76 2oba n SER 101 Cb 0.12 0.82 -0.07 0.00 -0.26 0.00 0.00 64.21 64.82 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 -2.17 0.68 -0.06 4.33 2.20 -1.15 -4.61 119.74 118.97 2oba s LYS 102 Ca -0.02 0.91 0.06 0.00 -0.36 0.00 0.00 55.97 56.56 2oba s LYS 102 Cb 0.02 0.28 -0.01 0.00 -1.51 0.00 0.00 37.83 36.61 2oba s LYS 102 CO 0.17 -0.10 -0.24 0.08 -0.36 0.00 0.00 175.35 174.90 2oba s VAL 103 N 0.71 1.97 -0.08 4.02 1.01 -0.04 -1.17 120.40 126.83 2oba s VAL 103 Ca -0.02 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 60.92 2oba s VAL 103 Cb -0.05 -1.67 0.03 0.00 0.00 0.00 0.00 36.38 34.69 2oba s VAL 103 CO -0.07 0.55 0.02 -0.60 0.00 0.00 0.00 175.10 175.00 2oba s ARG 104 N -0.12 0.40 -0.00 2.72 3.52 -0.85 -0.50 118.95 124.12 2oba s ARG 104 Ca -0.04 0.13 0.08 0.00 -0.13 0.00 0.00 55.73 55.77 2oba s ARG 104 Cb -0.14 -0.98 -0.02 0.00 -1.56 0.00 0.00 34.95 32.25 2oba s ARG 104 CO 0.04 -0.35 -0.26 0.14 -0.81 0.00 0.00 175.30 174.05 2oba s VAL 105 N 2.02 2.07 -0.31 7.11 -7.23 -0.59 -0.53 120.40 122.95 2oba s VAL 105 Ca 0.04 -1.19 0.01 0.00 -1.81 0.00 0.00 61.98 59.03 2oba s VAL 105 Cb -0.13 -1.74 0.07 0.00 0.56 0.00 0.00 36.38 35.15 2oba s VAL 105 CO -0.05 0.51 -0.01 -1.00 -0.31 0.00 0.00 175.10 174.25 2oba s HIS 106 N -0.67 3.43 0.18 2.82 3.76 0.76 -0.37 115.29 125.20 2oba s HIS 106 Ca 0.11 -2.39 -0.09 0.00 -0.15 0.00 0.00 55.06 52.53 2oba s HIS 106 Cb -0.10 -2.37 0.06 0.00 1.11 0.00 0.00 32.58 31.28 2oba s HIS 106 CO -0.00 -0.89 1.61 1.49 -0.85 0.00 0.00 174.74 176.10 2oba h GLU 107 N 7.82 1.02 -4.98 1.40 4.81 -1.86 -1.60 114.58 121.20 2oba h GLU 107 Ca -0.15 -0.38 -0.44 0.00 -0.13 0.00 0.00 59.36 58.27 2oba h GLU 107 Cb 1.04 -0.07 -0.14 0.00 0.63 0.00 0.00 28.75 30.22 2oba h GLU 107 CO 0.52 1.06 -0.57 0.95 -0.73 0.00 0.00 179.01 180.24 2oba s THR 108 N -4.85 0.60 -0.89 0.32 -4.23 -1.26 -4.45 115.64 100.89 2oba s THR 108 Ca -0.11 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.49 2oba s THR 108 Cb 0.13 -2.57 0.09 0.00 1.34 0.00 0.00 72.50 71.49 2oba s THR 108 CO 0.86 0.00 1.30 0.00 -0.54 0.00 0.00 174.62 176.24 2oba n THR 110 N -1.63 0.46 -4.28 0.00 -2.24 -1.26 -5.06 114.28 100.27 2oba n THR 110 Ca 0.01 -0.73 -0.16 0.00 -2.27 0.00 0.00 64.05 60.91 2oba n THR 110 Cb 0.09 0.82 -0.10 0.00 -2.10 0.00 0.00 70.33 69.04 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 -0.64 0.96 -0.24 3.42 1.04 -1.16 -5.14 113.70 111.93 2oba s SER 111 Ca 0.06 -1.46 -0.33 0.00 0.48 0.00 0.00 55.95 54.70 2oba s SER 111 Cb 0.04 0.32 0.16 0.00 0.10 0.00 0.00 66.02 66.64 2oba s SER 111 CO 0.05 -0.83 1.28 -0.83 0.98 0.00 0.00 173.24 173.89 2oba s GLY 112 N -3.28 -0.13 -0.01 7.32 0.00 -1.26 -4.34 107.32 105.62 2oba s GLY 112 Ca 0.38 2.15 0.02 0.00 0.00 0.00 0.00 44.72 47.27 2oba s GLY 112 CO 0.15 0.81 -0.06 0.00 0.00 0.00 0.00 173.10 174.00 2oba s GLU 114 N 0.08 1.65 -0.05 0.00 2.12 -1.26 -1.54 118.70 119.69 2oba s GLU 114 Ca -0.01 -0.35 0.06 0.00 0.36 0.00 0.00 54.97 55.03 2oba s GLU 114 Cb -0.05 -1.51 -0.01 0.00 0.26 0.00 0.00 34.13 32.82 2oba s GLU 114 CO -0.00 -0.11 -0.23 -0.47 -0.54 0.00 0.00 175.26 173.91 2oba s TYR 115 N 1.13 2.21 -0.29 5.30 5.04 0.34 -5.00 117.35 126.09 2oba s TYR 115 Ca -0.06 -0.65 0.10 0.00 -2.44 0.00 0.00 57.07 54.02 2oba s TYR 115 Cb -0.14 -1.46 0.47 0.00 0.35 0.00 0.00 41.96 41.18 2oba s TYR 115 CO -0.02 -0.20 1.16 2.89 -1.34 0.00 0.00 175.55 178.04 2oba n ARG 116 N 3.01 3.18 -2.48 4.97 1.85 -1.26 -0.86 116.66 125.06 2oba n ARG 116 Ca -0.18 -4.04 -0.20 0.00 -1.00 0.00 0.00 57.85 52.43 2oba n ARG 116 Cb 0.52 -2.12 -0.00 0.00 -1.05 0.00 0.00 32.46 29.81 2oba n ARG 116 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2oba n GLY 117 N -0.66 -0.45 0.70 2.89 0.00 -1.26 -4.91 105.19 101.49 2oba n GLY 117 Ca 0.36 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.44 2oba n GLY 117 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54