#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oba s SER -1 N 0.00 6.63 0.22 1.61 0.01 -1.26 -4.67 113.70 116.24 2oba s SER -1 Ca 0.00 2.04 -0.01 0.00 1.31 0.00 0.00 55.95 59.29 2oba s SER -1 Cb 0.00 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 2oba s SER -1 CO 0.00 -0.58 0.42 -2.28 0.41 0.00 0.00 173.24 171.21 2oba s HIS 0 N -1.71 3.48 -0.04 2.43 5.65 -1.26 0.15 115.29 124.00 2oba s HIS 0 Ca 0.60 0.38 0.00 0.00 0.25 0.00 0.00 55.06 56.29 2oba s HIS 0 Cb -0.22 -1.88 0.03 0.00 -1.18 0.00 0.00 32.58 29.33 2oba s HIS 0 CO 0.27 0.34 -0.00 -2.00 -0.65 0.00 0.00 174.74 172.70 2oba s GLU 2 N -3.41 0.41 0.26 2.88 2.12 -1.26 -5.00 118.70 114.71 2oba s GLU 2 Ca 0.39 0.07 0.07 0.00 0.36 0.00 0.00 54.97 55.87 2oba s GLU 2 Cb -0.11 -0.62 -0.04 0.00 0.26 0.00 0.00 34.13 33.63 2oba s GLU 2 CO 0.29 -0.17 0.18 -0.51 -0.54 0.00 0.00 175.26 174.52 2oba s LEU 3 N 1.23 3.69 0.03 2.70 1.02 0.57 -4.96 118.68 122.96 2oba s LEU 3 Ca -0.07 -0.34 -0.11 0.00 0.02 0.00 0.00 54.13 53.62 2oba s LEU 3 Cb -0.13 -2.23 0.01 0.00 0.02 0.00 0.00 46.19 43.86 2oba s LEU 3 CO -0.02 -0.07 0.24 0.72 0.02 0.00 0.00 176.35 177.24 2oba s PHE 4 N -2.19 -0.03 0.00 0.29 -0.71 -1.26 -0.90 117.98 113.19 2oba s PHE 4 Ca 0.34 -0.11 0.04 0.00 -1.04 0.00 0.00 56.93 56.15 2oba s PHE 4 Cb -0.07 0.03 -0.01 0.00 -1.21 0.00 0.00 43.02 41.75 2oba s PHE 4 CO 0.24 -0.44 -0.12 0.21 -1.34 0.00 0.00 175.22 173.78 2oba s LYS 5 N -2.30 0.90 -0.06 1.99 2.47 -0.64 -4.99 119.74 117.11 2oba s LYS 5 Ca -0.07 -0.49 0.05 0.00 -1.56 0.00 0.00 55.97 53.89 2oba s LYS 5 Cb -0.02 -0.88 -0.02 0.00 -1.46 0.00 0.00 37.83 35.46 2oba s LYS 5 CO -0.02 0.23 -0.20 -2.00 0.16 0.00 0.00 175.35 173.52 2oba s GLU 6 N -0.51 2.61 0.15 4.03 2.12 -1.26 -0.86 118.70 124.98 2oba s GLU 6 Ca 0.03 -0.82 0.08 0.00 0.36 0.00 0.00 54.97 54.63 2oba s GLU 6 Cb -0.05 -2.28 -0.04 0.00 0.26 0.00 0.00 34.13 32.02 2oba s GLU 6 CO -0.00 0.45 -0.19 -0.06 -0.54 0.00 0.00 175.26 174.92 2oba s PHE 7 N -0.30 1.82 -0.12 5.30 0.08 0.10 -4.97 117.98 119.89 2oba s PHE 7 Ca 0.01 -0.45 0.02 0.00 0.12 0.00 0.00 56.93 56.63 2oba s PHE 7 Cb -0.13 -0.93 0.01 0.00 -0.57 0.00 0.00 43.02 41.40 2oba s PHE 7 CO 0.03 0.30 -0.19 0.99 -0.10 0.00 0.00 175.22 176.25 2oba s THR 8 N -1.81 1.77 -0.01 0.64 2.01 -1.26 -0.01 115.64 116.98 2oba s THR 8 Ca 0.13 -0.81 0.08 0.00 0.31 0.00 0.00 61.69 61.41 2oba s THR 8 Cb -0.07 -1.58 -0.02 0.00 0.01 0.00 0.00 72.50 70.84 2oba s THR 8 CO 0.06 0.49 -0.26 0.72 -0.69 0.00 0.00 174.62 174.95 2oba s PHE 9 N 0.86 2.35 -0.44 4.92 -0.71 0.14 -4.95 117.98 120.15 2oba s PHE 9 Ca -0.08 -0.42 -0.11 0.00 -1.04 0.00 0.00 56.93 55.28 2oba s PHE 9 Cb -0.15 -1.48 0.08 0.00 -1.21 0.00 0.00 43.02 40.25 2oba s PHE 9 CO -0.01 0.01 0.31 -1.21 -1.34 0.00 0.00 175.22 172.98 2oba s GLU 10 N -0.76 2.74 0.07 1.99 0.41 -1.26 -0.55 118.70 121.34 2oba s GLU 10 Ca 0.10 -1.41 -0.02 0.00 -0.41 0.00 0.00 54.97 53.23 2oba s GLU 10 Cb -0.10 -3.90 -0.04 0.00 -1.78 0.00 0.00 34.13 28.31 2oba s GLU 10 CO -0.00 -0.98 0.01 -1.12 -0.49 0.00 0.00 175.26 172.68 2oba s SER 11 N 2.28 0.42 0.06 -0.19 0.01 -0.70 -0.40 113.70 115.18 2oba s SER 11 Ca 0.03 -1.01 0.05 0.00 1.31 0.00 0.00 55.95 56.33 2oba s SER 11 Cb -0.23 0.23 -0.04 0.00 0.21 0.00 0.00 66.02 66.19 2oba s SER 11 CO 0.04 -0.64 -0.06 0.00 0.41 0.00 0.00 173.24 172.99 2oba s ALA 12 N -3.94 3.06 0.37 1.44 0.00 -0.65 -1.23 121.76 120.81 2oba s ALA 12 Ca 0.10 -1.13 -0.17 0.00 0.00 0.00 0.00 51.96 50.77 2oba s ALA 12 Cb 0.08 -1.06 0.05 0.00 0.00 0.00 0.00 23.12 22.19 2oba s ALA 12 CO -0.08 0.65 0.78 -3.38 0.00 0.00 0.00 175.76 173.73 2oba s HIS 13 N -1.16 0.07 -0.11 0.00 -3.43 -0.45 -0.95 115.29 109.24 2oba s HIS 13 Ca 0.21 -0.71 -0.30 0.00 -0.80 0.00 0.00 55.06 53.46 2oba s HIS 13 Cb -0.11 0.82 0.10 0.00 -1.43 0.00 0.00 32.58 31.95 2oba s HIS 13 CO 0.13 -1.52 0.83 -0.98 -2.00 0.00 0.00 174.74 171.20 2oba s ARG 14 N -2.59 0.83 -0.29 -0.38 1.70 -1.26 -2.20 118.95 114.76 2oba s ARG 14 Ca 0.15 0.25 -0.16 0.00 -0.47 0.00 0.00 55.73 55.50 2oba s ARG 14 Cb -0.05 0.39 -0.03 0.00 -0.57 0.00 0.00 34.95 34.69 2oba s ARG 14 CO 0.11 -0.25 0.40 -0.51 -1.08 0.00 0.00 175.30 173.97 2oba s LEU 15 N -1.04 4.12 0.43 -1.89 1.43 0.13 -4.45 118.68 117.41 2oba s LEU 15 Ca -0.06 0.22 0.23 0.00 -1.03 0.00 0.00 54.13 53.48 2oba s LEU 15 Cb -0.01 -2.46 0.82 0.00 0.03 0.00 0.00 46.19 44.58 2oba s LEU 15 CO 0.05 -0.25 1.78 1.55 0.23 0.00 0.00 176.35 179.72 2oba h PRO 16 N 8.22 0.00 -0.12 1.29 0.13 -1.87 -3.36 132.00 136.30 2oba h PRO 16 Ca -0.31 0.00 0.00 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 0.25 0.00 0.72 -0.23 0.00 0.00 178.00 179.41 2oba n HIS 17 N -3.37 0.13 -2.67 1.56 8.25 -1.26 -4.97 115.22 112.89 2oba n HIS 17 Ca 0.00 -0.10 -0.33 0.00 -0.26 0.00 0.00 57.72 57.03 2oba n HIS 17 Cb 0.46 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.51 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 -1.26 4.34 1.03 1.59 -7.23 -1.26 -5.04 120.40 112.57 2oba s VAL 18 Ca 0.22 1.37 -0.16 0.00 -1.81 0.00 0.00 61.98 61.59 2oba s VAL 18 Cb 0.14 -3.60 0.05 0.00 0.56 0.00 0.00 36.38 33.52 2oba s VAL 18 CO 0.20 -0.40 0.10 -2.65 -0.31 0.00 0.00 175.10 172.04 2oba n PRO 19 N -0.94 -0.83 -0.10 4.82 -0.02 -1.26 -4.86 135.00 131.81 2oba n PRO 19 Ca 0.07 -0.21 -0.06 0.00 -2.02 0.00 0.00 63.50 61.28 2oba n PRO 19 Cb 0.54 -1.71 0.01 0.00 -0.02 0.00 0.00 33.50 32.31 2oba n PRO 19 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2oba h GLU 20 N -1.73 -0.12 -0.69 -0.52 4.11 -2.00 -2.67 114.58 110.96 2oba h GLU 20 Ca -0.48 0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2oba h GLU 20 Cb 1.32 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.60 2oba h GLU 20 CO 0.35 -0.08 0.00 0.41 0.07 0.00 0.00 179.01 179.76 2oba n GLY 21 N -1.36 2.58 3.64 1.06 0.00 -1.26 -4.99 105.19 104.85 2oba n GLY 21 Ca 0.02 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 2oba n GLY 21 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2oba n HIS 22 N 1.47 1.50 0.12 1.61 -0.00 -1.01 -4.93 115.22 113.98 2oba n HIS 22 Ca 0.24 0.56 -0.02 0.00 0.46 0.00 0.00 57.72 58.96 2oba n HIS 22 Cb 0.65 -2.28 0.19 0.00 -0.12 0.00 0.00 29.99 28.43 2oba n HIS 22 CO 0.00 0.00 0.00 1.57 0.46 0.00 0.00 176.34 178.37 2oba h LYS 23 N 1.78 0.10 0.00 1.57 2.10 -1.94 -2.98 116.57 117.21 2oba h LYS 23 Ca -0.45 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 2oba h LYS 23 Cb 1.32 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 2oba h LYS 23 CO 0.58 0.62 0.00 0.00 -2.00 0.00 0.00 179.45 178.65 2oba n GLY 25 N -0.23 -1.07 3.87 0.00 0.00 -1.12 0.17 105.19 106.80 2oba n GLY 25 Ca 0.02 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.80 3.83 -0.15 1.61 0.52 -1.02 -4.66 118.95 116.27 2oba s ARG 26 Ca 0.17 0.47 -0.29 0.00 -0.52 0.00 0.00 55.73 55.56 2oba s ARG 26 Cb 0.18 -2.44 -0.04 0.00 0.52 0.00 0.00 34.95 33.17 2oba s ARG 26 CO 0.60 0.06 1.75 -1.17 0.02 0.00 0.00 175.30 176.57 2oba s LEU 27 N -3.52 3.99 0.00 2.53 2.96 -1.26 -4.57 118.68 118.80 2oba s LEU 27 Ca 0.51 1.92 0.00 0.00 -0.22 0.00 0.00 54.13 56.34 2oba s LEU 27 Cb -0.10 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.06 2oba s LEU 27 CO 0.27 -1.26 0.00 0.00 -1.32 0.00 0.00 176.35 174.04 2oba n HIS 28 N 8.50 -0.02 -3.54 5.38 1.44 -0.93 -5.02 115.22 121.03 2oba n HIS 28 Ca 0.20 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.89 2oba n HIS 28 Cb 0.44 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.56 2oba n HIS 28 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2oba n GLY 29 N 0.00 1.18 3.55 -1.39 0.00 -1.26 -1.35 105.19 105.92 2oba n GLY 29 Ca 0.00 -1.06 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 2oba n GLY 29 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2oba s HIS 30 N -4.84 -0.07 -1.03 1.61 3.76 -0.36 -4.97 115.29 109.39 2oba s HIS 30 Ca 0.09 -0.28 -0.18 0.00 -0.15 0.00 0.00 55.06 54.54 2oba s HIS 30 Cb -0.02 0.39 0.13 0.00 1.11 0.00 0.00 32.58 34.19 2oba s HIS 30 CO 0.04 -0.94 1.26 -1.12 -0.85 0.00 0.00 174.74 173.13 2oba s SER 31 N -2.89 6.76 0.14 1.40 0.01 -1.26 -1.72 113.70 116.14 2oba s SER 31 Ca 0.11 -2.30 -0.31 0.00 1.31 0.00 0.00 55.95 54.75 2oba s SER 31 Cb -0.01 -2.42 -0.09 0.00 0.21 0.00 0.00 66.02 63.70 2oba s SER 31 CO -0.01 -1.00 1.55 -0.36 0.41 0.00 0.00 173.24 173.83 2oba s PHE 32 N 2.58 3.01 -0.21 2.43 0.08 0.29 -4.76 117.98 121.40 2oba s PHE 32 Ca 0.37 0.64 -0.10 0.00 0.12 0.00 0.00 56.93 57.96 2oba s PHE 32 Cb -0.04 -3.89 -0.05 0.00 -0.57 0.00 0.00 43.02 38.47 2oba s PHE 32 CO -0.06 -3.31 0.13 1.03 -0.10 0.00 0.00 175.22 172.91 2oba s ARG 33 N 1.33 4.15 -0.13 0.44 0.52 -0.16 -0.69 118.95 124.42 2oba s ARG 33 Ca 0.70 -0.24 0.02 0.00 -0.52 0.00 0.00 55.73 55.69 2oba s ARG 33 Cb -0.42 -3.43 0.01 0.00 0.52 0.00 0.00 34.95 31.63 2oba s ARG 33 CO 0.31 0.26 -0.19 0.54 0.02 0.00 0.00 175.30 176.24 2oba s VAL 34 N 0.48 1.82 -0.17 3.52 0.11 0.99 -0.35 120.40 126.81 2oba s VAL 34 Ca 0.08 -0.83 -0.07 0.00 -2.93 0.00 0.00 61.98 58.23 2oba s VAL 34 Cb -0.12 -1.64 -0.04 0.00 -1.53 0.00 0.00 36.38 33.06 2oba s VAL 34 CO -0.01 0.50 0.05 0.00 -3.33 0.00 0.00 175.10 172.31 2oba s ALA 35 N 0.98 3.37 -0.28 1.54 0.00 0.11 0.01 121.76 127.48 2oba s ALA 35 Ca -0.05 -0.75 -0.09 0.00 0.00 0.00 0.00 51.96 51.07 2oba s ALA 35 Cb -0.15 -1.85 -0.03 0.00 0.00 0.00 0.00 23.12 21.09 2oba s ALA 35 CO -0.04 0.23 0.13 0.42 0.00 0.00 0.00 175.76 176.50 2oba s ILE 36 N 0.24 4.67 -0.10 0.00 -1.09 -0.04 -1.09 121.20 123.80 2oba s ILE 36 Ca 0.03 -0.15 -0.00 0.00 -2.23 0.00 0.00 60.65 58.29 2oba s ILE 36 Cb -0.12 -3.26 -0.03 0.00 -1.58 0.00 0.00 42.46 37.47 2oba s ILE 36 CO 0.01 0.23 -0.07 -1.00 -1.23 0.00 0.00 174.94 172.88 2oba s HIS 37 N 1.65 2.94 0.12 3.97 3.76 -0.41 -1.62 115.29 125.71 2oba s HIS 37 Ca 0.06 -0.13 0.08 0.00 -0.15 0.00 0.00 55.06 54.92 2oba s HIS 37 Cb -0.16 -1.79 -0.04 0.00 1.11 0.00 0.00 32.58 31.70 2oba s HIS 37 CO 0.06 0.18 -0.19 0.96 -0.85 0.00 0.00 174.74 174.90 2oba s ILE 38 N -0.38 1.68 0.04 0.60 -4.36 -0.08 -0.89 121.20 117.82 2oba s ILE 38 Ca 0.05 -1.67 0.08 0.00 -0.26 0.00 0.00 60.65 58.85 2oba s ILE 38 Cb -0.12 -1.62 -0.03 0.00 1.25 0.00 0.00 42.46 41.94 2oba s ILE 38 CO 0.02 -0.18 -0.22 -1.61 0.24 0.00 0.00 174.94 173.19 2oba s GLU 39 N -2.26 1.47 -0.06 0.37 2.02 -0.37 -0.32 118.70 119.55 2oba s GLU 39 Ca 0.09 -0.97 -0.30 0.00 0.02 0.00 0.00 54.97 53.82 2oba s GLU 39 Cb -0.08 -1.59 0.10 0.00 0.10 0.00 0.00 34.13 32.66 2oba s GLU 39 CO 0.05 0.41 1.33 0.20 0.02 0.00 0.00 175.26 177.27 2oba s GLY 40 N -1.17 -0.17 0.21 -1.39 0.00 -1.26 -4.79 107.32 98.75 2oba s GLY 40 Ca 0.08 0.09 -0.30 0.00 0.00 0.00 0.00 44.72 44.59 2oba s GLY 40 CO 0.02 6.55 0.93 -0.54 0.00 0.00 0.00 173.10 180.05 2oba s GLU 41 N -2.01 4.81 -0.24 2.90 2.02 -1.26 -4.29 118.70 120.64 2oba s GLU 41 Ca 0.32 1.45 -0.29 0.00 0.02 0.00 0.00 54.97 56.47 2oba s GLU 41 Cb -0.00 -3.29 0.01 0.00 0.10 0.00 0.00 34.13 30.94 2oba s GLU 41 CO -0.02 0.47 1.05 0.08 0.02 0.00 0.00 175.26 176.87 2oba s VAL 42 N -0.98 4.64 0.07 2.63 1.01 0.12 -4.47 120.40 123.43 2oba s VAL 42 Ca 0.41 1.97 -0.31 0.00 0.00 0.00 0.00 61.98 64.06 2oba s VAL 42 Cb -0.25 -4.31 -0.08 0.00 0.00 0.00 0.00 36.38 31.74 2oba s VAL 42 CO 0.31 -0.21 1.52 -0.62 0.00 0.00 0.00 175.10 176.10 2oba s ASP 43 N 1.29 6.71 0.44 3.32 2.15 -0.78 -0.34 116.67 129.47 2oba s ASP 43 Ca 0.45 2.37 0.18 0.00 0.43 0.00 0.00 52.55 55.98 2oba s ASP 43 Cb -0.15 -2.57 1.03 0.00 -0.30 0.00 0.00 42.92 40.93 2oba s ASP 43 CO 0.07 -0.79 1.95 -0.65 -0.17 0.00 0.00 175.17 175.59 2oba h PRO 44 N 7.67 0.00 0.21 4.34 0.11 -1.94 0.17 132.00 142.56 2oba h PRO 44 Ca -0.41 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 2oba h PRO 44 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2oba h PRO 44 CO 0.91 0.23 -0.10 0.45 -0.21 0.00 0.00 178.00 179.28 2oba h HIS 45 N 0.00 -0.26 0.00 0.65 3.86 -1.96 -3.36 115.15 114.08 2oba h HIS 45 Ca -0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2oba h HIS 45 Cb 0.46 0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.02 2oba h HIS 45 CO 0.00 -0.06 -0.00 0.25 0.86 0.00 0.00 177.93 178.98 2oba n THR 46 N -4.95 0.57 -1.38 2.45 -2.24 -1.23 -4.92 114.28 102.57 2oba n THR 46 Ca -0.05 -0.27 -0.13 0.00 -2.27 0.00 0.00 64.05 61.33 2oba n THR 46 Cb 0.16 -0.58 -0.06 0.00 -2.10 0.00 0.00 70.33 67.75 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 1.32 1.35 3.43 3.38 0.00 0.60 -4.98 105.19 110.30 2oba n GLY 47 Ca 0.06 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.35 0.60 -0.11 1.61 -2.14 -1.22 -4.86 118.94 110.47 2oba s TRP 48 Ca 0.00 -0.92 -0.24 0.00 2.66 0.00 0.00 56.10 57.60 2oba s TRP 48 Cb 0.00 -0.07 -0.21 0.00 -3.10 0.00 0.00 33.47 30.09 2oba s TRP 48 CO 0.00 -0.84 0.72 0.82 -2.66 0.00 0.00 176.95 174.99 2oba h ILE 49 N 2.41 1.42 -2.22 0.66 2.04 -1.91 -2.06 117.51 117.84 2oba h ILE 49 Ca -0.30 -1.93 -0.07 0.00 1.00 0.00 0.00 64.86 63.57 2oba h ILE 49 Cb 1.25 2.62 -0.20 0.00 -0.74 0.00 0.00 36.82 39.74 2oba h ILE 49 CO 0.43 0.46 0.06 -0.60 0.00 0.00 0.00 178.15 178.49 2oba s ARG 50 N -2.44 0.87 0.10 2.37 6.06 -1.26 -4.85 118.95 119.80 2oba s ARG 50 Ca -0.15 0.49 -0.31 0.00 -2.50 0.00 0.00 55.73 53.26 2oba s ARG 50 Cb -0.02 0.41 -0.10 0.00 0.06 0.00 0.00 34.95 35.31 2oba s ARG 50 CO 0.57 -0.20 1.81 0.34 -2.50 0.00 0.00 175.30 175.32 2oba s ASP 51 N -0.50 6.46 0.49 -2.12 -1.08 -1.26 -4.85 116.67 113.80 2oba s ASP 51 Ca -0.06 2.70 0.35 0.00 -0.52 0.00 0.00 52.55 55.02 2oba s ASP 51 Cb -0.03 -2.56 1.48 0.00 -1.46 0.00 0.00 42.92 40.35 2oba s ASP 51 CO 0.05 -0.99 1.68 -0.26 0.52 0.00 0.00 175.17 176.17 2oba h PHE 52 N 8.75 0.29 0.00 -5.34 0.04 -2.00 0.78 116.94 119.46 2oba h PHE 52 Ca -0.46 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.32 2oba h PHE 52 Cb 1.22 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 39.29 2oba h PHE 52 CO 0.81 -0.07 -0.32 0.00 -0.60 0.00 0.00 178.31 178.13 2oba n ALA 53 N -2.67 3.09 0.05 2.45 0.00 -1.26 -2.15 120.51 120.02 2oba n ALA 53 Ca 0.34 -0.26 -0.20 0.00 0.00 0.00 0.00 53.44 53.32 2oba n ALA 53 Cb 1.44 -1.25 -0.13 0.00 0.00 0.00 0.00 19.45 19.51 2oba n ALA 53 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2oba h GLU 54 N 0.00 0.46 -0.38 0.00 5.08 -1.21 -2.31 114.58 116.23 2oba h GLU 54 Ca 0.00 -0.62 0.04 0.00 -1.00 0.00 0.00 59.36 57.77 2oba h GLU 54 Cb 0.51 0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 2oba h GLU 54 CO 0.00 1.26 0.16 0.82 -1.00 0.00 0.00 179.01 180.25 2oba h ILE 55 N -0.03 0.93 -0.10 3.13 2.04 -1.51 -0.18 117.51 121.79 2oba h ILE 55 Ca -0.14 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 2oba h ILE 55 Cb 1.66 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 38.30 2oba h ILE 55 CO 0.18 0.06 0.06 0.50 0.00 0.00 0.00 178.15 178.95 2oba h LYS 56 N 0.33 0.14 -0.94 2.37 3.64 -1.53 -0.37 116.57 120.22 2oba h LYS 56 Ca 0.17 -0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.63 2oba h LYS 56 Cb 0.12 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 31.83 2oba h LYS 56 CO -0.15 0.16 0.58 0.00 -2.27 0.00 0.00 179.45 177.77 2oba h ALA 57 N 0.98 1.36 -0.19 5.00 0.00 -1.07 -1.68 119.26 123.67 2oba h ALA 57 Ca 0.04 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.76 2oba h ALA 57 Cb 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2oba h ALA 57 CO -0.01 0.24 -0.67 0.82 0.00 0.00 0.00 179.25 179.63 2oba h ILE 58 N 0.97 1.30 0.00 0.00 2.04 -0.76 -3.25 117.51 117.82 2oba h ILE 58 Ca 0.45 -1.90 -0.07 0.00 1.00 0.00 0.00 64.86 64.34 2oba h ILE 58 Cb 0.36 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 2oba h ILE 58 CO -0.23 0.60 -0.32 0.15 0.00 0.00 0.00 178.15 178.35 2oba h PHE 59 N 0.52 0.00 -0.78 1.37 3.57 -0.60 -3.38 116.94 117.65 2oba h PHE 59 Ca -0.02 0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.66 2oba h PHE 59 Cb 1.27 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 39.88 2oba h PHE 59 CO 0.07 0.32 0.10 -0.22 -2.23 0.00 0.00 178.31 176.34 2oba h LYS 60 N 0.00 0.16 -0.90 1.11 3.64 -1.35 -0.75 116.57 118.48 2oba h LYS 60 Ca -0.00 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.44 2oba h LYS 60 Cb 0.94 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.66 2oba h LYS 60 CO 0.04 0.10 0.58 -1.00 -2.27 0.00 0.00 179.45 176.91 2oba h PRO 61 N 0.16 0.95 0.01 1.90 0.13 -1.81 -1.59 132.00 131.75 2oba h PRO 61 Ca 0.45 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 65.48 2oba h PRO 61 Cb 0.82 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 31.73 2oba h PRO 61 CO -0.63 0.63 -0.14 0.82 -0.23 0.00 0.00 178.00 178.45 2oba h ILE 62 N 0.98 1.64 -0.85 -3.56 2.04 -1.47 -3.10 117.51 113.20 2oba h ILE 62 Ca 0.39 -2.08 0.21 0.00 1.00 0.00 0.00 64.86 64.39 2oba h ILE 62 Cb 0.26 3.02 -0.13 0.00 -0.74 0.00 0.00 36.82 39.23 2oba h ILE 62 CO -0.15 0.55 0.26 0.22 0.00 0.00 0.00 178.15 179.03 2oba h TYR 63 N -0.73 0.40 -0.08 1.37 3.20 -1.16 -2.40 116.97 117.57 2oba h TYR 63 Ca -0.02 0.05 -0.17 0.00 3.14 0.00 0.00 58.73 61.73 2oba h TYR 63 Cb 0.98 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.20 2oba h TYR 63 CO 0.22 -0.14 -0.67 0.93 -1.64 0.00 0.00 178.16 176.86 2oba h GLU 64 N 0.27 0.33 -0.79 1.82 5.08 -1.34 0.38 114.58 120.33 2oba h GLU 64 Ca 0.52 -0.25 0.13 0.00 -1.00 0.00 0.00 59.36 58.76 2oba h GLU 64 Cb 1.01 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 30.22 2oba h GLU 64 CO -0.59 0.88 0.39 1.96 -1.00 0.00 0.00 179.01 180.64 2oba h GLN 65 N 0.24 0.57 0.01 2.33 4.20 -1.37 -3.29 115.11 117.80 2oba h GLN 65 Ca -0.02 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.56 2oba h GLN 65 Cb 1.21 -0.13 0.01 0.00 0.30 0.00 0.00 27.48 28.87 2oba h GLN 65 CO 0.11 0.38 -0.39 -0.07 -0.67 0.00 0.00 178.83 178.19 2oba h LEU 66 N 0.59 0.33 -9.74 1.46 3.38 -0.93 -3.44 115.31 106.96 2oba h LEU 66 Ca 0.42 -0.79 -0.51 0.00 0.09 0.00 0.00 57.88 57.09 2oba h LEU 66 Cb 0.55 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 41.21 2oba h LEU 66 CO -0.34 1.08 0.48 -0.62 0.09 0.00 0.00 178.44 179.13 2oba s ASP 67 N -6.49 7.26 -1.39 -0.43 2.15 0.07 -3.41 116.67 114.43 2oba s ASP 67 Ca -0.15 2.19 -0.02 0.00 0.43 0.00 0.00 52.55 55.01 2oba s ASP 67 Cb 0.02 -2.62 0.01 0.00 -0.30 0.00 0.00 42.92 40.03 2oba s ASP 67 CO 0.77 -0.18 0.58 1.41 -0.17 0.00 0.00 175.17 177.59 2oba n HIS 68 N 1.72 -1.80 -4.05 -5.34 8.25 0.46 -4.92 115.22 109.55 2oba n HIS 68 Ca 0.01 0.80 -0.10 0.00 -0.26 0.00 0.00 57.72 58.17 2oba n HIS 68 Cb 0.45 -3.99 -0.08 0.00 1.12 0.00 0.00 29.99 27.49 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 -4.25 0.17 -0.31 0.41 0.01 -1.22 -5.04 114.94 104.71 2oba s ASN 69 Ca 0.08 -1.02 -0.20 0.00 -0.71 0.00 0.00 52.86 51.00 2oba s ASN 69 Cb -0.04 0.37 -0.01 0.00 0.41 0.00 0.00 41.25 41.98 2oba s ASN 69 CO 0.86 -0.81 0.64 -0.47 -1.51 0.00 0.00 177.10 175.80 2oba s TYR 70 N -4.00 3.20 0.27 2.20 5.04 -1.26 -1.64 117.35 121.16 2oba s TYR 70 Ca 0.20 0.56 0.27 0.00 -2.44 0.00 0.00 57.07 55.66 2oba s TYR 70 Cb 0.05 -3.02 1.22 0.00 0.35 0.00 0.00 41.96 40.57 2oba s TYR 70 CO 0.01 -0.50 1.96 -0.07 -1.34 0.00 0.00 175.55 175.61 2oba h LEU 71 N 9.19 0.00 -0.82 6.97 4.07 -1.39 -2.91 115.31 130.43 2oba h LEU 71 Ca -0.27 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.69 2oba h LEU 71 Cb 1.12 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.86 2oba h LEU 71 CO 0.81 0.16 0.00 0.78 -1.08 0.00 0.00 178.44 179.11 2oba h ASN 72 N 0.00 0.00 0.12 -0.43 4.21 -1.79 -3.02 115.58 114.67 2oba h ASN 72 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2oba h ASN 72 Cb 0.53 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.73 2oba h ASN 72 CO 0.02 0.00 -0.16 0.47 -1.29 0.00 0.00 177.43 176.47 2oba n ASP 73 N -2.59 1.34 -4.66 5.81 8.00 -1.10 -4.28 116.55 119.07 2oba n ASP 73 Ca 0.02 -1.20 -0.40 0.00 0.71 0.00 0.00 54.79 53.93 2oba n ASP 73 Cb 0.30 0.10 -0.06 0.00 -0.02 0.00 0.00 41.12 41.44 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 -2.29 5.04 0.30 0.53 1.01 -1.14 -5.02 121.20 119.62 2oba s ILE 74 Ca 0.29 1.13 -0.30 0.00 0.00 0.00 0.00 60.65 61.77 2oba s ILE 74 Cb 0.20 -3.92 -0.12 0.00 0.01 0.00 0.00 42.46 38.63 2oba s ILE 74 CO 0.44 0.13 1.49 -2.65 0.00 0.00 0.00 174.94 174.36 2oba n PRO 75 N 4.98 2.46 -0.66 2.79 -0.02 -1.26 -0.79 135.00 142.49 2oba n PRO 75 Ca -0.02 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 2oba n PRO 75 Cb 0.50 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 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 1.74 0.92 0.73 -1.23 0.00 -1.26 -4.92 105.19 101.17 2oba n GLY 76 Ca 0.08 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.16 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 2.10 0.33 0.99 4.77 0.03 -4.81 117.00 120.41 2oba n LEU 77 Ca 0.00 -3.18 0.22 0.00 -0.03 0.00 0.00 56.01 53.02 2oba n LEU 77 Cb 0.00 -0.36 1.12 0.00 -2.33 0.00 0.00 43.42 41.85 2oba n LEU 77 CO 0.00 1.03 1.15 -0.33 -1.33 0.00 0.00 177.39 177.91 2oba h GLU 78 N 0.80 0.00 -2.54 3.23 3.07 -1.75 -3.12 114.58 114.28 2oba h GLU 78 Ca -0.05 0.00 -0.60 0.00 -0.50 0.00 0.00 59.36 58.21 2oba h GLU 78 Cb 1.23 0.00 -0.41 0.00 -0.84 0.00 0.00 28.75 28.73 2oba h GLU 78 CO 0.02 0.00 -0.72 -1.71 -1.40 0.00 0.00 179.01 175.21 2oba n ASN 79 N -3.10 2.28 -2.47 1.42 5.15 -1.26 -4.63 115.26 112.65 2oba n ASN 79 Ca -0.02 -3.07 -0.23 0.00 -0.60 0.00 0.00 54.58 50.66 2oba n ASN 79 Cb 0.12 -0.68 -0.10 0.00 -0.53 0.00 0.00 39.78 38.58 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 1.68 2.61 -1.22 1.20 -0.04 -1.18 -4.71 135.00 133.35 2oba n PRO 80 Ca 0.25 -1.74 -0.35 0.00 -0.04 0.00 0.00 63.50 61.62 2oba n PRO 80 Cb 0.42 -2.23 0.10 0.00 -0.04 0.00 0.00 33.50 31.75 2oba n PRO 80 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2oba n THR 81 N 2.22 2.26 -0.33 0.52 -2.24 -1.26 -4.79 114.28 110.65 2oba n THR 81 Ca 0.52 -0.30 0.15 0.00 -2.27 0.00 0.00 64.05 62.15 2oba n THR 81 Cb 0.66 -1.08 0.34 0.00 -2.10 0.00 0.00 70.33 68.15 2oba n THR 81 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2oba h SER 82 N -0.60 0.62 -0.16 3.42 0.02 -1.97 -1.11 113.55 113.78 2oba h SER 82 Ca -0.47 0.13 0.03 0.00 -0.84 0.00 0.00 61.79 60.64 2oba h SER 82 Cb 1.32 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.86 2oba h SER 82 CO 0.45 0.13 -0.03 -0.33 -1.14 0.00 0.00 176.83 175.91 2oba h GLU 83 N 0.59 0.01 -0.13 3.45 3.07 -1.96 -0.89 114.58 118.72 2oba h GLU 83 Ca 0.60 -0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 59.30 2oba h GLU 83 Cb 1.07 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.97 2oba h GLU 83 CO -0.46 0.00 -0.60 -0.91 -1.40 0.00 0.00 179.01 175.65 2oba h ASN 84 N 0.01 0.47 -0.40 1.42 2.35 -1.71 -1.61 115.58 116.11 2oba h ASN 84 Ca 0.07 -0.27 0.03 0.00 -0.55 0.00 0.00 56.30 55.59 2oba h ASN 84 Cb 0.11 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 2oba h ASN 84 CO -0.16 0.96 0.20 0.25 -1.65 0.00 0.00 177.43 177.04 2oba h LEU 85 N 0.31 0.29 0.06 1.61 5.85 -1.20 0.17 115.31 122.41 2oba h LEU 85 Ca -0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2oba h LEU 85 Cb 1.13 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 2oba h LEU 85 CO 0.10 0.21 -0.06 0.00 -0.34 0.00 0.00 178.44 178.36 2oba h ARG 87 N -0.13 0.05 -0.69 0.00 2.43 -1.12 -1.96 114.38 112.95 2oba h ARG 87 Ca 0.00 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 2oba h ARG 87 Cb 0.13 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.62 2oba h ARG 87 CO -0.02 0.03 0.39 2.35 -1.51 0.00 0.00 179.97 181.22 2oba h TRP 88 N 0.05 0.73 -0.53 2.20 7.01 -0.58 0.47 115.95 125.28 2oba h TRP 88 Ca 0.06 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 61.03 2oba h TRP 88 Cb 0.07 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 26.88 2oba h TRP 88 CO -0.14 0.36 0.12 0.82 -2.79 0.00 0.00 178.44 176.81 2oba h ILE 89 N 0.73 1.25 0.14 2.65 2.04 -0.94 -0.86 117.51 122.52 2oba h ILE 89 Ca 0.30 -0.88 0.01 0.00 1.00 0.00 0.00 64.86 65.29 2oba h ILE 89 Cb 0.16 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 2oba h ILE 89 CO -0.17 0.32 -0.16 -0.25 0.00 0.00 0.00 178.15 177.89 2oba h TRP 90 N 0.75 -0.41 -0.88 1.37 2.91 -0.80 -1.15 115.95 117.75 2oba h TRP 90 Ca 0.17 0.00 0.15 0.00 1.13 0.00 0.00 58.89 60.34 2oba h TRP 90 Cb 0.35 0.16 -0.10 0.00 -0.51 0.00 0.00 29.16 29.06 2oba h TRP 90 CO 0.02 -0.24 0.47 1.96 -1.03 0.00 0.00 178.44 179.63 2oba h GLN 91 N -0.34 0.64 0.00 2.65 4.20 -0.74 0.04 115.11 121.56 2oba h GLN 91 Ca 0.01 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 2oba h GLN 91 Cb 0.33 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 2oba h GLN 91 CO -0.05 0.42 -0.31 1.96 -0.67 0.00 0.00 178.83 180.18 2oba h GLN 92 N 0.66 0.00 0.00 1.46 1.08 -0.76 -3.40 115.11 114.15 2oba h GLN 92 Ca 0.48 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 57.47 2oba h GLN 92 Cb 0.69 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.08 2oba h GLN 92 CO -0.37 0.31 -1.81 -0.11 -0.95 0.00 0.00 178.83 175.90 2oba n LEU 93 N -3.42 2.15 -0.28 1.46 7.94 -0.46 -4.61 117.00 119.78 2oba n LEU 93 Ca 0.00 -0.06 0.04 0.00 -1.11 0.00 0.00 56.01 54.89 2oba n LEU 93 Cb 0.49 -0.29 0.18 0.00 0.53 0.00 0.00 43.42 44.33 2oba n LEU 93 CO 0.35 0.61 1.10 0.50 -1.11 0.00 0.00 177.39 178.85 2oba h LYS 94 N 0.00 0.66 -0.90 1.96 1.63 -1.25 0.13 116.57 118.79 2oba h LYS 94 Ca -0.32 -0.04 0.21 0.00 -0.85 0.00 0.00 60.65 59.66 2oba h LYS 94 Cb 1.56 -0.15 -0.06 0.00 -0.60 0.00 0.00 32.23 32.97 2oba h LYS 94 CO -0.03 0.44 0.60 -1.35 -3.45 0.00 0.00 179.45 175.66 2oba h PRO 95 N 0.68 0.33 0.00 1.90 0.11 -1.81 -2.98 132.00 130.22 2oba h PRO 95 Ca 0.41 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.50 2oba h PRO 95 Cb 0.46 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.50 2oba h PRO 95 CO -0.29 0.22 -0.84 1.28 -0.21 0.00 0.00 178.00 178.16 2oba n LEU 96 N -4.48 0.78 -3.42 2.35 4.77 -0.15 -4.65 117.00 112.21 2oba n LEU 96 Ca 0.19 -0.49 -0.27 0.00 -0.03 0.00 0.00 56.01 55.42 2oba n LEU 96 Cb 0.75 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.73 2oba n LEU 96 CO 0.32 0.20 -0.30 -0.22 -1.33 0.00 0.00 177.39 176.06 2oba s LEU 97 N -2.85 0.94 0.61 2.23 2.96 -0.17 -5.02 118.68 117.38 2oba s LEU 97 Ca 0.06 -2.37 0.33 0.00 -0.22 0.00 0.00 54.13 51.94 2oba s LEU 97 Cb 0.13 -0.27 1.97 0.00 0.50 0.00 0.00 46.19 48.52 2oba s LEU 97 CO 0.70 -0.26 2.28 1.55 -1.32 0.00 0.00 176.35 179.31 2oba h PRO 98 N 6.59 0.00 -0.44 0.98 0.13 -1.82 -2.35 132.00 135.09 2oba h PRO 98 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2oba h PRO 98 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 2oba h PRO 98 CO 0.28 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.20 2oba n GLU 99 N -3.65 2.03 -1.82 0.86 0.00 -1.26 -4.92 120.64 111.88 2oba n GLU 99 Ca -0.03 -1.36 -0.42 0.00 0.00 0.00 0.00 57.16 55.35 2oba n GLU 99 Cb 0.08 -1.38 -0.03 0.00 0.00 0.00 0.00 31.44 30.11 2oba n GLU 99 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 2oba s LEU 100 N -1.06 4.37 -0.00 -1.84 2.96 -0.89 -1.24 118.68 120.99 2oba s LEU 100 Ca 0.25 2.73 0.01 0.00 -0.22 0.00 0.00 54.13 56.89 2oba s LEU 100 Cb 0.14 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.23 2oba s LEU 100 CO 0.15 -0.91 0.01 -1.54 -1.32 0.00 0.00 176.35 172.74 2oba n SER 101 N 4.32 4.87 -3.60 3.68 3.41 -0.07 -4.86 113.62 121.37 2oba n SER 101 Ca 0.15 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.61 2oba n SER 101 Cb 0.37 0.86 -0.07 0.00 -0.26 0.00 0.00 64.21 65.11 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 -2.03 0.90 -0.11 4.33 2.20 -1.10 -4.50 119.74 119.44 2oba s LYS 102 Ca -0.00 0.70 0.03 0.00 -0.36 0.00 0.00 55.97 56.33 2oba s LYS 102 Cb 0.00 0.43 0.01 0.00 -1.51 0.00 0.00 37.83 36.77 2oba s LYS 102 CO 0.02 -0.18 -0.19 0.08 -0.36 0.00 0.00 175.35 174.72 2oba s VAL 103 N -0.22 1.73 -0.18 4.02 1.01 -0.49 -1.29 120.40 124.99 2oba s VAL 103 Ca -0.04 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.14 2oba s VAL 103 Cb -0.03 -1.54 0.01 0.00 0.00 0.00 0.00 36.38 34.82 2oba s VAL 103 CO 0.04 0.49 -0.17 -0.60 0.00 0.00 0.00 175.10 174.86 2oba s ARG 104 N 0.73 3.09 -0.08 2.72 3.52 -0.25 -1.36 118.95 127.32 2oba s ARG 104 Ca -0.11 -0.78 0.05 0.00 -0.13 0.00 0.00 55.73 54.76 2oba s ARG 104 Cb -0.16 -2.65 -0.01 0.00 -1.56 0.00 0.00 34.95 30.57 2oba s ARG 104 CO 0.02 -0.17 -0.24 0.08 -0.81 0.00 0.00 175.30 174.18 2oba s VAL 105 N 1.25 2.00 -0.25 7.11 1.01 0.20 0.04 120.40 131.77 2oba s VAL 105 Ca 0.03 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.02 2oba s VAL 105 Cb -0.14 -1.71 0.06 0.00 0.00 0.00 0.00 36.38 34.59 2oba s VAL 105 CO -0.09 0.55 -0.08 -1.00 0.00 0.00 0.00 175.10 174.48 2oba s HIS 106 N 0.09 2.82 0.14 5.22 3.76 0.53 0.18 115.29 128.04 2oba s HIS 106 Ca -0.11 -2.03 -0.13 0.00 -0.15 0.00 0.00 55.06 52.65 2oba s HIS 106 Cb -0.16 -1.75 0.01 0.00 1.11 0.00 0.00 32.58 31.79 2oba s HIS 106 CO 0.06 -0.83 1.59 1.49 -0.85 0.00 0.00 174.74 176.20 2oba h GLU 107 N 7.87 0.85 -4.93 1.40 4.81 -1.86 -0.39 114.58 122.32 2oba h GLU 107 Ca -0.19 -0.28 -0.45 0.00 -0.13 0.00 0.00 59.36 58.31 2oba h GLU 107 Cb 1.06 -0.07 -0.14 0.00 0.63 0.00 0.00 28.75 30.23 2oba h GLU 107 CO 0.44 0.90 -0.55 0.95 -0.73 0.00 0.00 179.01 180.02 2oba s THR 108 N -4.97 0.41 -1.32 0.32 -4.23 -1.26 -4.43 115.64 100.16 2oba s THR 108 Ca -0.12 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.57 2oba s THR 108 Cb 0.11 -2.50 0.28 0.00 1.34 0.00 0.00 72.50 71.74 2oba s THR 108 CO 0.82 0.00 1.58 0.00 -0.54 0.00 0.00 174.62 176.48 2oba n THR 110 N -1.34 1.39 -3.96 0.00 -2.24 -1.26 -5.05 114.28 101.81 2oba n THR 110 Ca 0.08 -1.62 -0.09 0.00 -2.27 0.00 0.00 64.05 60.14 2oba n THR 110 Cb 0.17 0.07 -0.07 0.00 -2.10 0.00 0.00 70.33 68.39 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 -2.10 0.08 -0.17 3.42 1.04 -1.19 -5.15 113.70 109.64 2oba s SER 111 Ca 0.20 -0.87 -0.30 0.00 0.48 0.00 0.00 55.95 55.46 2oba s SER 111 Cb 0.17 0.41 0.13 0.00 0.10 0.00 0.00 66.02 66.83 2oba s SER 111 CO 0.02 -0.85 1.04 -0.83 0.98 0.00 0.00 173.24 173.60 2oba s GLY 112 N -2.96 -0.24 -0.01 7.32 0.00 -1.26 -4.38 107.32 105.79 2oba s GLY 112 Ca 0.16 2.04 0.01 0.00 0.00 0.00 0.00 44.72 46.93 2oba s GLY 112 CO -0.02 0.97 -0.04 0.00 0.00 0.00 0.00 173.10 174.01 2oba s GLU 114 N 0.16 1.70 -0.05 0.00 2.12 -1.26 -0.63 118.70 120.73 2oba s GLU 114 Ca -0.01 -0.50 0.01 0.00 0.36 0.00 0.00 54.97 54.82 2oba s GLU 114 Cb -0.05 -1.44 0.02 0.00 0.26 0.00 0.00 34.13 32.92 2oba s GLU 114 CO -0.00 0.14 -0.07 -0.47 -0.54 0.00 0.00 175.26 174.32 2oba s TYR 115 N 0.31 0.98 -0.21 5.30 5.04 -0.46 -5.00 117.35 123.31 2oba s TYR 115 Ca -0.09 -0.32 0.16 0.00 -2.44 0.00 0.00 57.07 54.38 2oba s TYR 115 Cb -0.13 -0.80 0.36 0.00 0.35 0.00 0.00 41.96 41.74 2oba s TYR 115 CO 0.03 -0.23 1.26 0.54 -1.34 0.00 0.00 175.55 175.81 2oba n ARG 116 N 4.01 2.25 -0.90 4.97 1.74 -1.26 -1.39 116.66 126.08 2oba n ARG 116 Ca -0.24 -2.54 0.00 0.00 -0.77 0.00 0.00 57.85 54.30 2oba n ARG 116 Cb 0.51 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 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 -0.81 0.65 0.78 -0.13 0.00 -1.26 -4.86 105.19 99.55 2oba n GLY 117 Ca 0.16 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.28 2oba n GLY 117 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54