#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oba n SER -1 N 0.00 3.71 -4.90 1.61 7.64 -1.26 -4.60 113.62 115.82 2oba n SER -1 Ca 0.00 1.20 -0.31 0.00 1.01 0.00 0.00 58.87 60.77 2oba n SER -1 Cb 0.00 -1.62 -0.05 0.00 -1.01 0.00 0.00 64.21 61.53 2oba n SER -1 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2oba s HIS 0 N -1.14 3.47 -0.06 1.43 5.65 -1.26 -0.65 115.29 122.72 2oba s HIS 0 Ca 0.55 0.59 -0.03 0.00 0.25 0.00 0.00 55.06 56.42 2oba s HIS 0 Cb -0.46 -2.03 0.03 0.00 -1.18 0.00 0.00 32.58 28.94 2oba s HIS 0 CO 0.62 0.40 0.15 -2.00 -0.65 0.00 0.00 174.74 173.26 2oba s GLU 2 N -2.73 0.11 0.22 2.88 2.12 -1.26 -4.98 118.70 115.06 2oba s GLU 2 Ca 0.42 0.34 0.08 0.00 0.36 0.00 0.00 54.97 56.17 2oba s GLU 2 Cb -0.12 -0.12 -0.04 0.00 0.26 0.00 0.00 34.13 34.11 2oba s GLU 2 CO 0.24 -0.13 0.00 -0.51 -0.54 0.00 0.00 175.26 174.33 2oba s LEU 3 N 0.94 3.27 -0.00 2.70 1.43 -0.54 -4.99 118.68 121.49 2oba s LEU 3 Ca -0.07 -0.51 -0.08 0.00 -1.03 0.00 0.00 54.13 52.44 2oba s LEU 3 Cb -0.09 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.28 2oba s LEU 3 CO -0.05 0.04 0.15 0.72 0.23 0.00 0.00 176.35 177.45 2oba s PHE 4 N -2.02 0.01 -0.08 0.29 -0.71 -1.26 -2.13 117.98 112.08 2oba s PHE 4 Ca 0.29 -0.06 0.03 0.00 -1.04 0.00 0.00 56.93 56.16 2oba s PHE 4 Cb -0.08 -0.03 0.01 0.00 -1.21 0.00 0.00 43.02 41.71 2oba s PHE 4 CO 0.19 -0.28 -0.18 0.21 -1.34 0.00 0.00 175.22 173.82 2oba s LYS 5 N -1.28 2.33 -0.03 1.99 2.47 -0.17 -4.97 119.74 120.08 2oba s LYS 5 Ca -0.14 -0.65 -0.02 0.00 -1.56 0.00 0.00 55.97 53.61 2oba s LYS 5 Cb -0.07 -1.83 -0.04 0.00 -1.46 0.00 0.00 37.83 34.43 2oba s LYS 5 CO 0.02 0.12 0.10 -1.21 0.16 0.00 0.00 175.35 174.54 2oba s GLU 6 N 0.45 3.18 0.03 4.03 2.02 -1.26 -1.02 118.70 126.12 2oba s GLU 6 Ca -0.15 -0.40 0.02 0.00 0.02 0.00 0.00 54.97 54.45 2oba s GLU 6 Cb -0.16 -2.94 -0.02 0.00 0.10 0.00 0.00 34.13 31.11 2oba s GLU 6 CO 0.06 0.68 -0.06 -0.06 0.02 0.00 0.00 175.26 175.90 2oba s PHE 7 N -1.16 0.52 -0.14 1.61 0.08 0.35 -4.99 117.98 114.25 2oba s PHE 7 Ca 0.21 -0.42 0.02 0.00 0.12 0.00 0.00 56.93 56.86 2oba s PHE 7 Cb -0.12 -0.32 0.01 0.00 -0.57 0.00 0.00 43.02 42.02 2oba s PHE 7 CO 0.12 -0.09 -0.21 0.99 -0.10 0.00 0.00 175.22 175.92 2oba s THR 8 N -1.15 2.02 -0.04 0.64 2.01 -1.26 -0.06 115.64 117.80 2oba s THR 8 Ca -0.09 -0.95 0.07 0.00 0.31 0.00 0.00 61.69 61.02 2oba s THR 8 Cb -0.08 -1.80 -0.01 0.00 0.01 0.00 0.00 72.50 70.62 2oba s THR 8 CO -0.00 0.54 -0.25 0.72 -0.69 0.00 0.00 174.62 174.94 2oba s PHE 9 N 0.89 2.41 -0.48 4.92 -0.71 0.04 -4.96 117.98 120.09 2oba s PHE 9 Ca -0.05 -0.60 -0.16 0.00 -1.04 0.00 0.00 56.93 55.08 2oba s PHE 9 Cb -0.15 -1.56 0.08 0.00 -1.21 0.00 0.00 43.02 40.17 2oba s PHE 9 CO -0.03 -0.14 0.42 -1.21 -1.34 0.00 0.00 175.22 172.92 2oba s GLU 10 N -0.34 2.99 0.08 1.99 0.41 -1.26 -0.78 118.70 121.78 2oba s GLU 10 Ca 0.02 -1.37 0.04 0.00 -0.41 0.00 0.00 54.97 53.24 2oba s GLU 10 Cb -0.12 -4.15 -0.03 0.00 -1.78 0.00 0.00 34.13 28.04 2oba s GLU 10 CO 0.02 -1.08 -0.10 -1.12 -0.49 0.00 0.00 175.26 172.49 2oba s SER 11 N 2.73 1.37 0.07 -0.19 0.01 -0.64 -1.07 113.70 115.98 2oba s SER 11 Ca 0.04 -0.73 -0.02 0.00 1.31 0.00 0.00 55.95 56.55 2oba s SER 11 Cb -0.25 0.00 -0.04 0.00 0.21 0.00 0.00 66.02 65.94 2oba s SER 11 CO 0.06 -0.22 0.26 0.00 0.41 0.00 0.00 173.24 173.75 2oba s ALA 12 N -2.05 3.93 0.30 1.44 0.00 -0.34 -1.26 121.76 123.78 2oba s ALA 12 Ca 0.01 -0.73 -0.20 0.00 0.00 0.00 0.00 51.96 51.04 2oba s ALA 12 Cb -0.05 -1.94 0.03 0.00 0.00 0.00 0.00 23.12 21.17 2oba s ALA 12 CO 0.00 0.76 0.76 -3.38 0.00 0.00 0.00 175.76 173.91 2oba s HIS 13 N -1.52 -0.08 0.00 0.00 -3.43 -0.30 -0.20 115.29 109.77 2oba s HIS 13 Ca 0.35 -0.44 -0.13 0.00 -0.80 0.00 0.00 55.06 54.05 2oba s HIS 13 Cb -0.13 0.75 0.02 0.00 -1.43 0.00 0.00 32.58 31.79 2oba s HIS 13 CO 0.25 -1.32 0.26 -0.98 -2.00 0.00 0.00 174.74 170.96 2oba s ARG 14 N -3.34 0.66 -0.46 -0.38 1.70 -1.26 -2.04 118.95 113.83 2oba s ARG 14 Ca 0.13 -0.33 -0.18 0.00 -0.47 0.00 0.00 55.73 54.87 2oba s ARG 14 Cb -0.05 0.28 0.04 0.00 -0.57 0.00 0.00 34.95 34.65 2oba s ARG 14 CO 0.08 -0.18 0.54 -0.51 -1.08 0.00 0.00 175.30 174.14 2oba s LEU 15 N -1.54 4.92 0.01 -1.89 1.43 0.90 -4.49 118.68 118.01 2oba s LEU 15 Ca -0.12 -0.77 0.13 0.00 -1.03 0.00 0.00 54.13 52.34 2oba s LEU 15 Cb -0.05 -2.44 0.54 0.00 0.03 0.00 0.00 46.19 44.27 2oba s LEU 15 CO 0.02 -0.74 1.40 -0.81 0.23 0.00 0.00 176.35 176.45 2oba n PRO 16 N 5.88 0.00 0.00 1.29 -0.04 -1.26 -3.51 135.00 137.36 2oba n PRO 16 Ca -0.07 0.29 0.04 0.00 -0.04 0.00 0.00 63.50 63.73 2oba n PRO 16 Cb 0.46 -1.51 0.01 0.00 -0.04 0.00 0.00 33.50 32.43 2oba n PRO 16 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2oba n HIS 17 N -1.52 0.00 -2.45 0.54 8.25 -1.26 -5.01 115.22 113.77 2oba n HIS 17 Ca 0.03 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.14 2oba n HIS 17 Cb 0.14 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.23 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 -0.99 3.55 0.69 1.59 -7.23 -1.23 -5.02 120.40 111.76 2oba s VAL 18 Ca 0.08 1.04 -0.17 0.00 -1.81 0.00 0.00 61.98 61.11 2oba s VAL 18 Cb 0.07 -3.46 -0.11 0.00 0.56 0.00 0.00 36.38 33.43 2oba s VAL 18 CO 0.16 -0.14 -0.08 -2.65 -0.31 0.00 0.00 175.10 172.09 2oba n PRO 19 N -0.78 0.10 -0.16 4.82 -0.02 -1.26 -4.86 135.00 132.84 2oba n PRO 19 Ca 0.09 0.05 0.16 0.00 -2.02 0.00 0.00 63.50 61.77 2oba n PRO 19 Cb 0.51 -1.27 0.52 0.00 -0.02 0.00 0.00 33.50 33.24 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 -0.36 0.37 0.00 -0.52 4.11 -2.01 -2.15 114.58 114.02 2oba h GLU 20 Ca -0.43 -0.02 -0.10 0.00 0.07 0.00 0.00 59.36 58.88 2oba h GLU 20 Cb 1.38 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 2oba h GLU 20 CO 0.38 0.24 -0.95 0.78 0.07 0.00 0.00 179.01 179.53 2oba h GLY 21 N 0.38 0.00 -4.41 1.06 0.00 -2.02 -3.49 103.07 94.59 2oba h GLY 21 Ca 0.37 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 47.15 2oba h GLY 21 CO -0.11 0.00 0.74 1.57 0.00 0.00 0.00 176.54 178.74 2oba n HIS 22 N -2.95 2.55 0.16 5.60 -0.00 -0.81 -4.90 115.22 114.87 2oba n HIS 22 Ca -0.03 0.35 0.03 0.00 0.46 0.00 0.00 57.72 58.54 2oba n HIS 22 Cb 0.72 -2.53 0.42 0.00 -0.12 0.00 0.00 29.99 28.48 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 4.30 0.14 0.00 1.57 2.10 -1.94 -2.12 116.57 120.62 2oba h LYS 23 Ca -0.46 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.14 2oba h LYS 23 Cb 1.25 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 32.56 2oba h LYS 23 CO 0.76 0.32 -0.07 0.00 -2.00 0.00 0.00 179.45 178.46 2oba n GLY 25 N -0.71 -0.66 3.85 0.00 0.00 -0.80 -0.07 105.19 106.80 2oba n GLY 25 Ca -0.02 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.31 4.00 -0.05 1.61 0.52 -0.67 -4.69 118.95 117.37 2oba s ARG 26 Ca 0.32 0.71 -0.30 0.00 -0.52 0.00 0.00 55.73 55.94 2oba s ARG 26 Cb 0.20 -2.38 -0.05 0.00 0.52 0.00 0.00 34.95 33.24 2oba s ARG 26 CO 0.44 0.09 1.55 -1.17 0.02 0.00 0.00 175.30 176.23 2oba s LEU 27 N -3.17 4.30 0.00 2.53 2.96 -1.26 -4.56 118.68 119.48 2oba s LEU 27 Ca 0.55 2.16 0.00 0.00 -0.22 0.00 0.00 54.13 56.62 2oba s LEU 27 Cb -0.10 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.05 2oba s LEU 27 CO 0.19 -0.86 0.00 0.00 -1.32 0.00 0.00 176.35 174.36 2oba n HIS 28 N 6.60 -0.19 -3.82 5.38 1.44 -0.86 -5.03 115.22 118.74 2oba n HIS 28 Ca 0.16 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.81 2oba n HIS 28 Cb 0.43 0.00 -0.00 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 -0.31 -0.01 0.13 -1.39 0.00 -1.26 -1.15 107.32 103.33 2oba s GLY 29 Ca 0.00 -0.26 -0.12 0.00 0.00 0.00 0.00 44.72 44.34 2oba s GLY 29 CO 0.00 0.31 0.31 0.30 0.00 0.00 0.00 173.10 174.02 2oba s HIS 30 N -3.08 0.08 -0.91 1.90 3.76 -0.39 -4.97 115.29 111.68 2oba s HIS 30 Ca 0.14 -0.45 -0.20 0.00 -0.15 0.00 0.00 55.06 54.40 2oba s HIS 30 Cb -0.04 0.08 0.11 0.00 1.11 0.00 0.00 32.58 33.84 2oba s HIS 30 CO 0.06 -0.68 1.16 -1.12 -0.85 0.00 0.00 174.74 173.32 2oba s SER 31 N -2.87 6.54 0.09 1.40 0.01 -1.26 -1.62 113.70 115.99 2oba s SER 31 Ca 0.08 -1.78 -0.30 0.00 1.31 0.00 0.00 55.95 55.26 2oba s SER 31 Cb 0.03 -2.43 -0.05 0.00 0.21 0.00 0.00 66.02 63.77 2oba s SER 31 CO -0.08 -1.20 1.04 -0.36 0.41 0.00 0.00 173.24 173.05 2oba s PHE 32 N 3.31 3.66 -0.14 2.43 0.08 0.04 -4.73 117.98 122.63 2oba s PHE 32 Ca 0.34 1.65 -0.05 0.00 0.12 0.00 0.00 56.93 58.98 2oba s PHE 32 Cb -0.06 -3.18 -0.04 0.00 -0.57 0.00 0.00 43.02 39.18 2oba s PHE 32 CO -0.07 -0.27 0.06 1.03 -0.10 0.00 0.00 175.22 175.87 2oba s ARG 33 N 0.35 3.54 -0.04 0.44 0.52 -0.65 -0.78 118.95 122.33 2oba s ARG 33 Ca 0.51 -0.32 0.07 0.00 -0.52 0.00 0.00 55.73 55.47 2oba s ARG 33 Cb -0.25 -3.07 -0.01 0.00 0.52 0.00 0.00 34.95 32.14 2oba s ARG 33 CO 0.30 0.52 -0.25 0.54 0.02 0.00 0.00 175.30 176.43 2oba s VAL 34 N -0.34 2.01 -0.14 3.52 0.11 0.92 -0.50 120.40 125.97 2oba s VAL 34 Ca 0.09 -1.06 0.01 0.00 -2.93 0.00 0.00 61.98 58.08 2oba s VAL 34 Cb -0.12 -1.69 -0.00 0.00 -1.53 0.00 0.00 36.38 33.04 2oba s VAL 34 CO 0.02 0.56 -0.17 0.00 -3.33 0.00 0.00 175.10 172.18 2oba s ALA 35 N -0.36 2.43 -0.23 1.54 0.00 0.82 -0.49 121.76 125.48 2oba s ALA 35 Ca 0.03 -1.02 -0.08 0.00 0.00 0.00 0.00 51.96 50.89 2oba s ALA 35 Cb -0.12 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 2oba s ALA 35 CO 0.01 0.04 0.08 0.42 0.00 0.00 0.00 175.76 176.32 2oba s ILE 36 N 0.70 4.61 0.02 0.00 1.01 -0.19 -1.30 121.20 126.04 2oba s ILE 36 Ca -0.08 -0.08 0.05 0.00 0.00 0.00 0.00 60.65 60.54 2oba s ILE 36 Cb -0.16 -3.13 -0.03 0.00 0.01 0.00 0.00 42.46 39.15 2oba s ILE 36 CO 0.02 0.38 -0.11 -1.00 0.00 0.00 0.00 174.94 174.22 2oba s HIS 37 N 1.14 2.76 0.10 3.97 3.76 -0.58 -1.00 115.29 125.43 2oba s HIS 37 Ca 0.05 -0.12 0.03 0.00 -0.15 0.00 0.00 55.06 54.87 2oba s HIS 37 Cb -0.14 -1.56 -0.04 0.00 1.11 0.00 0.00 32.58 31.95 2oba s HIS 37 CO 0.04 0.32 -0.09 0.96 -0.85 0.00 0.00 174.74 175.11 2oba s ILE 38 N -0.96 0.91 0.15 0.60 -4.36 -0.91 -1.15 121.20 115.49 2oba s ILE 38 Ca 0.16 -1.76 0.07 0.00 -0.26 0.00 0.00 60.65 58.85 2oba s ILE 38 Cb -0.11 -1.49 -0.04 0.00 1.25 0.00 0.00 42.46 42.07 2oba s ILE 38 CO 0.06 -0.66 -0.14 -1.61 0.24 0.00 0.00 174.94 172.83 2oba s GLU 39 N -3.16 1.16 0.00 0.37 2.02 -0.88 -1.46 118.70 116.74 2oba s GLU 39 Ca 0.08 -1.39 0.00 0.00 0.02 0.00 0.00 54.97 53.68 2oba s GLU 39 Cb -0.00 -1.01 0.00 0.00 0.10 0.00 0.00 34.13 33.22 2oba s GLU 39 CO -0.01 0.18 0.00 0.41 0.02 0.00 0.00 175.26 175.86 2oba n GLY 40 N 0.16 -1.88 3.82 -1.39 0.00 -1.26 -4.79 105.19 99.85 2oba n GLY 40 Ca -0.12 -1.24 -0.38 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.93 4.14 -0.15 1.61 2.02 -1.26 -4.39 118.70 118.73 2oba s GLU 41 Ca 0.00 0.67 -0.28 0.00 0.02 0.00 0.00 54.97 55.38 2oba s GLU 41 Cb 0.00 -3.16 -0.01 0.00 0.10 0.00 0.00 34.13 31.06 2oba s GLU 41 CO 0.00 0.60 0.94 0.08 0.02 0.00 0.00 175.26 176.91 2oba s VAL 42 N -1.19 4.80 0.20 2.63 1.01 0.18 -4.37 120.40 123.66 2oba s VAL 42 Ca 0.31 1.88 -0.31 0.00 0.00 0.00 0.00 61.98 63.86 2oba s VAL 42 Cb -0.18 -4.24 -0.10 0.00 0.00 0.00 0.00 36.38 31.86 2oba s VAL 42 CO 0.19 -0.02 1.45 -0.62 0.00 0.00 0.00 175.10 176.10 2oba s ASP 43 N 1.14 6.69 0.59 3.32 2.15 -0.45 -4.37 116.67 125.74 2oba s ASP 43 Ca 0.43 2.57 0.39 0.00 0.43 0.00 0.00 52.55 56.38 2oba s ASP 43 Cb -0.17 -2.61 1.94 0.00 -0.30 0.00 0.00 42.92 41.78 2oba s ASP 43 CO 0.13 -0.70 2.18 -0.65 -0.17 0.00 0.00 175.17 175.96 2oba h PRO 44 N 5.79 0.00 0.00 4.34 0.11 -1.95 0.12 132.00 140.40 2oba h PRO 44 Ca -0.44 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.44 2oba h PRO 44 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 2oba h PRO 44 CO 0.82 0.00 -1.75 1.58 -0.21 0.00 0.00 178.00 178.44 2oba n HIS 45 N -3.01 0.02 0.22 0.65 -0.00 -1.26 -4.51 115.22 107.33 2oba n HIS 45 Ca -0.01 0.01 0.08 0.00 -0.00 0.00 0.00 57.72 57.79 2oba n HIS 45 Cb 0.16 -0.75 0.51 0.00 -0.00 0.00 0.00 29.99 29.90 2oba n HIS 45 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 2oba h THR 46 N -1.00 0.84 -0.14 3.57 1.35 -1.98 -3.46 112.91 112.08 2oba h THR 46 Ca -0.35 -1.01 -0.06 0.00 -0.55 0.00 0.00 66.41 64.44 2oba h THR 46 Cb 1.30 1.61 -0.02 0.00 -1.73 0.00 0.00 68.15 69.30 2oba h THR 46 CO -0.21 0.25 -0.06 0.61 -0.25 0.00 0.00 175.52 175.86 2oba n GLY 47 N -0.35 0.58 3.27 5.82 0.00 0.03 -5.00 105.19 109.53 2oba n GLY 47 Ca -0.01 -0.28 -0.15 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.90 1.37 -0.15 1.61 -2.14 -1.25 -4.80 118.94 111.68 2oba s TRP 48 Ca 0.00 -1.23 -0.23 0.00 2.66 0.00 0.00 56.10 57.29 2oba s TRP 48 Cb 0.00 -0.76 -0.21 0.00 -3.10 0.00 0.00 33.47 29.40 2oba s TRP 48 CO 0.00 -0.43 0.51 0.82 -2.66 0.00 0.00 176.95 175.19 2oba h ILE 49 N 2.50 1.32 -1.97 0.66 2.04 -1.93 -1.19 117.51 118.94 2oba h ILE 49 Ca -0.37 -2.12 -0.01 0.00 1.00 0.00 0.00 64.86 63.35 2oba h ILE 49 Cb 1.24 2.62 -0.21 0.00 -0.74 0.00 0.00 36.82 39.73 2oba h ILE 49 CO 0.58 0.45 0.12 -0.60 0.00 0.00 0.00 178.15 178.70 2oba s ARG 50 N -2.19 0.78 0.21 2.37 3.52 -1.26 -4.85 118.95 117.52 2oba s ARG 50 Ca -0.20 1.04 -0.32 0.00 -0.13 0.00 0.00 55.73 56.12 2oba s ARG 50 Cb -0.00 0.32 -0.13 0.00 -1.56 0.00 0.00 34.95 33.57 2oba s ARG 50 CO 0.58 -0.11 1.56 -3.47 -0.81 0.00 0.00 175.30 173.05 2oba n ASP 51 N 3.15 3.25 -0.30 -2.12 -0.08 -1.26 -4.87 116.55 114.32 2oba n ASP 51 Ca -0.16 1.10 0.26 0.00 -1.51 0.00 0.00 54.79 54.49 2oba n ASP 51 Cb 0.56 -1.47 0.60 0.00 2.34 0.00 0.00 41.12 43.15 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 5.47 0.39 0.00 -0.67 0.04 -2.00 -1.09 116.94 119.08 2oba h PHE 52 Ca -0.45 0.01 -0.11 0.00 2.80 0.00 0.00 57.97 60.23 2oba h PHE 52 Cb 1.25 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 39.27 2oba h PHE 52 CO 0.61 0.04 -0.50 0.00 -0.60 0.00 0.00 178.31 177.86 2oba h ALA 53 N 1.56 1.11 -0.18 2.45 0.00 -1.99 -2.51 119.26 119.70 2oba h ALA 53 Ca 0.55 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2oba h ALA 53 Cb 1.70 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 2oba h ALA 53 CO -0.17 0.63 0.03 0.93 0.00 0.00 0.00 179.25 180.67 2oba h GLU 54 N 0.00 0.30 -0.71 0.00 5.08 -1.56 0.53 114.58 118.22 2oba h GLU 54 Ca -0.01 -0.08 0.11 0.00 -1.00 0.00 0.00 59.36 58.39 2oba h GLU 54 Cb 0.92 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.05 2oba h GLU 54 CO 0.07 0.46 0.31 0.82 -1.00 0.00 0.00 179.01 179.67 2oba h ILE 55 N 0.10 0.76 -0.52 3.13 2.04 -1.48 0.75 117.51 122.29 2oba h ILE 55 Ca 0.06 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 2oba h ILE 55 Cb 0.31 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 2oba h ILE 55 CO 0.00 0.09 0.25 0.50 0.00 0.00 0.00 178.15 179.00 2oba h LYS 56 N 0.50 0.74 -0.37 2.37 3.64 -1.27 -1.22 116.57 120.96 2oba h LYS 56 Ca 0.37 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 59.56 2oba h LYS 56 Cb 0.47 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 2oba h LYS 56 CO -0.33 0.61 -0.09 0.00 -2.27 0.00 0.00 179.45 177.38 2oba h ALA 57 N 1.09 1.15 -0.20 5.00 0.00 0.01 -1.44 119.26 124.86 2oba h ALA 57 Ca 0.18 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2oba h ALA 57 Cb 0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2oba h ALA 57 CO -0.02 0.54 -0.06 0.82 0.00 0.00 0.00 179.25 180.53 2oba h ILE 58 N 0.59 1.29 -0.08 0.00 2.04 -0.67 -3.23 117.51 117.45 2oba h ILE 58 Ca 0.11 -1.05 -0.11 0.00 1.00 0.00 0.00 64.86 64.81 2oba h ILE 58 Cb 0.50 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 2oba h ILE 58 CO 0.03 0.32 -0.45 0.15 0.00 0.00 0.00 178.15 178.19 2oba h PHE 59 N 0.10 0.22 -0.88 1.37 3.57 -1.10 -3.38 116.94 116.85 2oba h PHE 59 Ca 0.05 -0.06 0.18 0.00 3.53 0.00 0.00 57.97 61.66 2oba h PHE 59 Cb 0.51 -0.05 -0.17 0.00 2.79 0.00 0.00 35.95 39.04 2oba h PHE 59 CO 0.05 0.61 -0.20 1.17 -2.23 0.00 0.00 178.31 177.71 2oba n LYS 60 N -3.99 -0.08 -0.04 1.11 4.81 -0.55 -0.70 118.16 118.71 2oba n LYS 60 Ca -0.02 1.36 -0.00 0.00 -0.87 0.00 0.00 58.31 58.79 2oba n LYS 60 Cb 0.50 -2.05 0.28 0.00 0.02 0.00 0.00 35.03 33.79 2oba n LYS 60 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 2oba h PRO 61 N 0.00 0.62 0.03 1.64 0.11 -1.80 -1.24 132.00 131.36 2oba h PRO 61 Ca 0.43 -0.11 -0.00 0.00 0.11 0.00 0.00 66.00 66.42 2oba h PRO 61 Cb 0.67 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.68 2oba h PRO 61 CO -0.90 0.58 -0.02 0.82 -0.21 0.00 0.00 178.00 178.28 2oba h ILE 62 N 0.60 1.31 -0.86 4.15 2.04 -1.19 -3.05 117.51 120.51 2oba h ILE 62 Ca 0.14 -1.13 0.20 0.00 1.00 0.00 0.00 64.86 65.07 2oba h ILE 62 Cb 0.26 2.06 -0.12 0.00 -0.74 0.00 0.00 36.82 38.28 2oba h ILE 62 CO -0.00 0.28 0.35 0.22 0.00 0.00 0.00 178.15 179.01 2oba h TYR 63 N -0.54 0.58 0.00 1.37 3.20 -1.06 -2.28 116.97 118.25 2oba h TYR 63 Ca -0.00 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.84 2oba h TYR 63 Cb 0.50 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 2oba h TYR 63 CO 0.09 -0.04 -0.31 0.93 -1.64 0.00 0.00 178.16 177.19 2oba h GLU 64 N 0.39 0.00 -0.59 1.82 5.08 -1.23 0.15 114.58 120.21 2oba h GLU 64 Ca 0.52 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.82 2oba h GLU 64 Cb 0.96 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 2oba h GLU 64 CO -0.51 0.31 0.13 1.96 -1.00 0.00 0.00 179.01 179.90 2oba h GLN 65 N 0.00 0.95 0.11 2.33 4.20 -1.31 -3.35 115.11 118.03 2oba h GLN 65 Ca -0.00 -0.24 -0.15 0.00 0.06 0.00 0.00 58.65 58.32 2oba h GLN 65 Cb 0.91 -0.12 0.02 0.00 0.30 0.00 0.00 27.48 28.58 2oba h GLN 65 CO 0.04 0.88 -0.66 -0.07 -0.67 0.00 0.00 178.83 178.35 2oba h LEU 66 N 0.85 0.40 -9.80 1.46 3.38 -0.96 -3.43 115.31 107.21 2oba h LEU 66 Ca 0.18 -0.94 -0.51 0.00 0.09 0.00 0.00 57.88 56.70 2oba h LEU 66 Cb 0.37 -0.13 0.03 0.00 0.09 0.00 0.00 40.66 41.02 2oba h LEU 66 CO 0.00 1.31 0.53 -0.62 0.09 0.00 0.00 178.44 179.76 2oba s ASP 67 N -6.83 7.10 -1.46 -0.43 2.15 0.43 -3.32 116.67 114.31 2oba s ASP 67 Ca -0.14 2.37 -0.09 0.00 0.43 0.00 0.00 52.55 55.12 2oba s ASP 67 Cb 0.00 -2.63 0.06 0.00 -0.30 0.00 0.00 42.92 40.05 2oba s ASP 67 CO 0.81 -0.29 0.88 1.41 -0.17 0.00 0.00 175.17 177.81 2oba n HIS 68 N 1.36 -2.17 -4.18 -5.34 8.25 -0.23 -4.91 115.22 108.00 2oba n HIS 68 Ca 0.00 0.88 -0.11 0.00 -0.26 0.00 0.00 57.72 58.23 2oba n HIS 68 Cb 0.44 -4.09 -0.10 0.00 1.12 0.00 0.00 29.99 27.36 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 -3.66 0.19 -0.42 0.41 0.01 -1.21 -5.03 114.94 105.24 2oba s ASN 69 Ca 0.45 -1.32 -0.20 0.00 -0.71 0.00 0.00 52.86 51.07 2oba s ASN 69 Cb -0.22 0.36 0.02 0.00 0.41 0.00 0.00 41.25 41.82 2oba s ASN 69 CO 0.83 -0.81 0.63 -0.47 -1.51 0.00 0.00 177.10 175.77 2oba s TYR 70 N -4.12 3.09 0.29 2.20 5.04 -1.26 -1.20 117.35 121.38 2oba s TYR 70 Ca 0.34 0.02 -0.00 0.00 -2.44 0.00 0.00 57.07 54.99 2oba s TYR 70 Cb 0.07 -3.29 0.50 0.00 0.35 0.00 0.00 41.96 39.59 2oba s TYR 70 CO 0.09 -0.81 1.90 -0.07 -1.34 0.00 0.00 175.55 175.32 2oba h LEU 71 N 9.60 0.94 -1.78 6.97 3.38 -0.91 -2.94 115.31 130.58 2oba h LEU 71 Ca -0.26 0.01 0.11 0.00 0.09 0.00 0.00 57.88 57.84 2oba h LEU 71 Cb 1.10 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.63 2oba h LEU 71 CO 0.88 0.60 0.37 0.78 0.09 0.00 0.00 178.44 181.16 2oba h ASN 72 N 1.07 0.22 0.64 -0.43 4.21 -1.79 0.12 115.58 119.62 2oba h ASN 72 Ca 0.40 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.92 2oba h ASN 72 Cb 0.20 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.36 2oba h ASN 72 CO -0.15 0.13 0.00 0.47 -1.29 0.00 0.00 177.43 176.58 2oba n ASP 73 N -4.45 0.42 -4.68 5.81 8.00 -1.11 -4.44 116.55 116.11 2oba n ASP 73 Ca 0.09 0.61 -0.42 0.00 0.71 0.00 0.00 54.79 55.78 2oba n ASP 73 Cb 0.44 -0.69 -0.03 0.00 -0.02 0.00 0.00 41.12 40.82 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 -3.20 4.82 0.20 0.53 1.01 0.41 -5.02 121.20 119.96 2oba s ILE 74 Ca 0.05 1.91 -0.32 0.00 0.00 0.00 0.00 60.65 62.28 2oba s ILE 74 Cb 0.09 -4.25 -0.13 0.00 0.01 0.00 0.00 42.46 38.18 2oba s ILE 74 CO 0.34 0.03 1.64 -2.65 0.00 0.00 0.00 174.94 174.30 2oba n PRO 75 N 4.98 2.52 0.00 2.79 -0.02 -1.26 -1.72 135.00 142.29 2oba n PRO 75 Ca 0.07 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 2oba n PRO 75 Cb 0.49 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 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 3.48 2.05 1.85 -1.23 0.00 -1.26 -4.92 105.19 105.16 2oba n GLY 76 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 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 4.23 0.05 0.99 4.77 -0.70 -4.74 117.00 121.61 2oba n LEU 77 Ca 0.00 -4.43 0.09 0.00 -0.03 0.00 0.00 56.01 51.65 2oba n LEU 77 Cb 0.00 -0.30 0.39 0.00 -2.33 0.00 0.00 43.42 41.19 2oba n LEU 77 CO 0.00 1.88 0.79 -0.62 -1.33 0.00 0.00 177.39 178.11 2oba n GLU 78 N -0.75 0.08 -3.42 3.23 4.71 -1.26 -3.48 120.64 119.76 2oba n GLU 78 Ca 0.36 0.30 -0.27 0.00 -0.01 0.00 0.00 57.16 57.54 2oba n GLU 78 Cb 0.91 -1.65 -0.10 0.00 -1.01 0.00 0.00 31.44 29.59 2oba n GLU 78 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 2oba s ASN 79 N -3.51 1.75 -1.32 1.62 2.47 -1.26 -4.72 114.94 109.97 2oba s ASN 79 Ca 0.06 -2.96 -0.10 0.00 0.42 0.00 0.00 52.86 50.28 2oba s ASN 79 Cb 0.10 -0.47 0.14 0.00 -1.45 0.00 0.00 41.25 39.56 2oba s ASN 79 CO 0.33 -0.19 1.98 -0.81 -3.72 0.00 0.00 177.10 174.69 2oba n PRO 80 N 2.99 3.47 -2.03 0.43 -0.04 -1.23 -4.64 135.00 133.96 2oba n PRO 80 Ca 0.27 -3.30 -0.28 0.00 -0.04 0.00 0.00 63.50 60.14 2oba n PRO 80 Cb 0.46 -3.00 0.06 0.00 -0.04 0.00 0.00 33.50 30.98 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 2.75 0.25 0.52 -4.23 -1.26 -4.88 115.64 109.79 2oba s THR 81 Ca 0.42 0.09 -0.04 0.00 -1.18 0.00 0.00 61.69 60.98 2oba s THR 81 Cb 0.11 -3.21 0.25 0.00 1.34 0.00 0.00 72.50 70.98 2oba s THR 81 CO -0.02 -0.26 1.87 0.28 -0.54 0.00 0.00 174.62 175.95 2oba h SER 82 N -0.72 0.96 0.43 3.99 0.02 -1.97 -0.81 113.55 115.46 2oba h SER 82 Ca -0.45 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.50 2oba h SER 82 Cb 1.29 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.62 2oba h SER 82 CO 0.63 0.62 -0.36 -0.33 -1.14 0.00 0.00 176.83 176.25 2oba h GLU 83 N 1.10 -0.76 -0.38 3.45 3.07 -1.95 0.94 114.58 120.05 2oba h GLU 83 Ca 0.40 0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 59.27 2oba h GLU 83 Cb 0.15 0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.21 2oba h GLU 83 CO -0.17 -0.51 0.05 -0.91 -1.40 0.00 0.00 179.01 176.08 2oba h ASN 84 N -0.79 0.54 0.46 1.42 2.35 -1.78 -1.41 115.58 116.37 2oba h ASN 84 Ca -0.04 -0.09 -0.11 0.00 -0.55 0.00 0.00 56.30 55.51 2oba h ASN 84 Cb 0.69 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 2oba h ASN 84 CO -0.02 0.57 -0.50 0.25 -1.65 0.00 0.00 177.43 176.09 2oba h LEU 85 N 0.56 0.05 0.08 1.61 5.85 -1.08 0.53 115.31 122.91 2oba h LEU 85 Ca 0.13 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 2oba h LEU 85 Cb 0.28 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2oba h LEU 85 CO 0.00 0.54 -0.04 0.00 -0.34 0.00 0.00 178.44 178.61 2oba h ARG 87 N -0.51 0.83 0.07 0.00 2.43 -1.20 -1.55 114.38 114.46 2oba h ARG 87 Ca -0.01 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2oba h ARG 87 Cb 0.43 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2oba h ARG 87 CO 0.02 0.55 -0.03 2.35 -1.51 0.00 0.00 179.97 181.35 2oba h TRP 88 N 0.86 -0.08 -0.54 2.20 7.01 -0.90 -1.58 115.95 122.92 2oba h TRP 88 Ca 0.28 -0.00 0.10 0.00 2.11 0.00 0.00 58.89 61.38 2oba h TRP 88 Cb 0.05 0.03 -0.08 0.00 -2.10 0.00 0.00 29.16 27.06 2oba h TRP 88 CO -0.00 0.45 0.08 0.82 -2.79 0.00 0.00 178.44 177.00 2oba h ILE 89 N -0.68 0.66 0.10 2.65 2.04 -1.28 -2.15 117.51 118.86 2oba h ILE 89 Ca -0.01 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.80 2oba h ILE 89 Cb 0.56 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 2oba h ILE 89 CO 0.01 0.04 -0.30 -0.25 0.00 0.00 0.00 178.15 177.65 2oba h TRP 90 N 0.21 -0.82 -0.97 1.37 2.91 -1.25 -0.36 115.95 117.04 2oba h TRP 90 Ca 0.28 0.02 0.13 0.00 1.13 0.00 0.00 58.89 60.44 2oba h TRP 90 Cb 0.40 0.35 -0.08 0.00 -0.51 0.00 0.00 29.16 29.31 2oba h TRP 90 CO -0.26 -0.41 0.62 1.96 -1.03 0.00 0.00 178.44 179.32 2oba h GLN 91 N -0.51 0.89 -0.06 2.65 4.20 -1.11 0.17 115.11 121.34 2oba h GLN 91 Ca 0.03 -0.05 -0.22 0.00 0.06 0.00 0.00 58.65 58.47 2oba h GLN 91 Cb 0.55 -0.20 0.01 0.00 0.30 0.00 0.00 27.48 28.13 2oba h GLN 91 CO -0.19 0.59 -0.86 1.96 -0.67 0.00 0.00 178.83 179.66 2oba h GLN 92 N 0.92 0.57 0.10 1.46 1.08 -1.10 -3.37 115.11 114.76 2oba h GLN 92 Ca 0.48 -0.53 -0.29 0.00 -1.45 0.00 0.00 58.65 56.87 2oba h GLN 92 Cb 0.54 0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.09 2oba h GLN 92 CO -0.25 1.15 -1.42 1.25 -0.95 0.00 0.00 178.83 178.62 2oba h LEU 93 N 0.36 0.31 -0.43 1.46 5.85 -0.31 -3.40 115.31 119.16 2oba h LEU 93 Ca -0.07 -0.41 0.04 0.00 0.84 0.00 0.00 57.88 58.28 2oba h LEU 93 Cb 1.48 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.37 2oba h LEU 93 CO 0.16 1.34 0.21 0.50 -0.34 0.00 0.00 178.44 180.30 2oba h LYS 94 N 0.05 0.40 -0.07 1.25 1.63 -0.84 -1.46 116.57 117.54 2oba h LYS 94 Ca -0.19 -0.02 0.02 0.00 -0.85 0.00 0.00 60.65 59.60 2oba h LYS 94 Cb 1.97 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 33.51 2oba h LYS 94 CO 0.16 0.27 0.07 -1.35 -3.45 0.00 0.00 179.45 175.14 2oba h PRO 95 N 0.41 0.00 0.00 1.90 0.11 -1.80 -2.99 132.00 129.64 2oba h PRO 95 Ca 0.19 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.16 2oba h PRO 95 Cb 0.11 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 2oba h PRO 95 CO -0.14 0.00 -1.41 1.28 -0.21 0.00 0.00 178.00 177.51 2oba n LEU 96 N -4.02 0.79 -3.41 2.35 4.77 -0.62 -4.66 117.00 112.20 2oba n LEU 96 Ca -0.01 0.34 -0.27 0.00 -0.03 0.00 0.00 56.01 56.03 2oba n LEU 96 Cb 0.17 0.07 -0.11 0.00 -2.33 0.00 0.00 43.42 41.22 2oba n LEU 96 CO 0.29 0.10 -0.32 -0.22 -1.33 0.00 0.00 177.39 175.92 2oba s LEU 97 N -5.64 1.24 0.42 2.23 2.96 -0.79 -5.01 118.68 114.09 2oba s LEU 97 Ca -0.03 -2.79 0.09 0.00 -0.22 0.00 0.00 54.13 51.18 2oba s LEU 97 Cb 0.09 -0.40 0.93 0.00 0.50 0.00 0.00 46.19 47.30 2oba s LEU 97 CO 0.81 -0.21 2.04 -0.65 -1.32 0.00 0.00 176.35 177.02 2oba h PRO 98 N 6.05 0.47 0.00 0.98 0.11 -1.83 -1.41 132.00 136.38 2oba h PRO 98 Ca 0.21 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2oba h PRO 98 Cb 0.93 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.93 2oba h PRO 98 CO 0.33 0.31 0.00 -0.85 -0.21 0.00 0.00 178.00 177.59 2oba n GLU 99 N -4.48 0.59 -1.64 1.05 0.00 -1.26 -4.85 120.64 110.05 2oba n GLU 99 Ca 0.05 0.00 -0.48 0.00 0.00 0.00 0.00 57.16 56.73 2oba n GLU 99 Cb 0.15 -1.45 -0.04 0.00 0.00 0.00 0.00 31.44 30.10 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 -0.95 2.52 0.00 -1.84 7.94 -0.53 -2.07 117.00 122.07 2oba n LEU 100 Ca 0.13 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.14 2oba n LEU 100 Cb 0.06 -1.34 0.00 0.00 0.53 0.00 0.00 43.42 42.67 2oba n LEU 100 CO 0.09 -0.64 -0.40 -1.54 -1.11 0.00 0.00 177.39 173.80 2oba n SER 101 N 2.82 3.97 -3.66 1.96 3.41 -0.30 -4.86 113.62 116.95 2oba n SER 101 Ca 0.16 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.64 2oba n SER 101 Cb 0.26 0.66 -0.08 0.00 -0.26 0.00 0.00 64.21 64.79 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 -1.66 0.73 -0.08 4.33 2.20 -1.22 -4.56 119.74 119.48 2oba s LYS 102 Ca 0.00 0.90 0.04 0.00 -0.36 0.00 0.00 55.97 56.55 2oba s LYS 102 Cb 0.00 0.34 -0.01 0.00 -1.51 0.00 0.00 37.83 36.65 2oba s LYS 102 CO 0.00 -0.09 -0.22 0.08 -0.36 0.00 0.00 175.35 174.76 2oba s VAL 103 N 0.45 2.31 -0.09 4.02 1.01 -0.31 -1.53 120.40 126.26 2oba s VAL 103 Ca -0.01 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.03 2oba s VAL 103 Cb -0.05 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.47 2oba s VAL 103 CO -0.01 0.56 -0.12 -0.60 0.00 0.00 0.00 175.10 174.94 2oba s ARG 104 N 0.06 1.80 -0.06 2.72 3.52 -0.42 -0.89 118.95 125.67 2oba s ARG 104 Ca -0.09 -0.41 0.04 0.00 -0.13 0.00 0.00 55.73 55.14 2oba s ARG 104 Cb -0.15 -1.60 -0.00 0.00 -1.56 0.00 0.00 34.95 31.63 2oba s ARG 104 CO 0.06 -0.09 -0.19 0.08 -0.81 0.00 0.00 175.30 174.34 2oba s VAL 105 N 1.09 1.62 -0.25 7.11 1.01 0.14 -0.13 120.40 130.99 2oba s VAL 105 Ca -0.06 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.14 2oba s VAL 105 Cb -0.14 -1.40 0.06 0.00 0.00 0.00 0.00 36.38 34.89 2oba s VAL 105 CO -0.02 0.46 -0.09 -1.00 0.00 0.00 0.00 175.10 174.45 2oba s HIS 106 N 0.18 2.92 0.12 5.22 3.76 0.34 -0.11 115.29 127.73 2oba s HIS 106 Ca -0.09 -2.10 -0.10 0.00 -0.15 0.00 0.00 55.06 52.63 2oba s HIS 106 Cb -0.14 -1.79 -0.09 0.00 1.11 0.00 0.00 32.58 31.66 2oba s HIS 106 CO 0.04 -0.84 1.34 1.05 -0.85 0.00 0.00 174.74 175.49 2oba h GLU 107 N 7.84 0.70 -5.04 1.40 4.11 -1.86 -1.73 114.58 120.01 2oba h GLU 107 Ca -0.19 -0.56 -0.57 0.00 0.07 0.00 0.00 59.36 58.11 2oba h GLU 107 Cb 1.05 0.12 -0.13 0.00 0.50 0.00 0.00 28.75 30.29 2oba h GLU 107 CO 0.44 1.18 -0.51 0.95 0.07 0.00 0.00 179.01 181.15 2oba s THR 108 N -3.72 0.59 -0.55 -1.06 -4.23 -1.26 -4.45 115.64 100.95 2oba s THR 108 Ca -0.09 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.65 2oba s THR 108 Cb 0.09 -2.32 0.25 0.00 1.34 0.00 0.00 72.50 71.86 2oba s THR 108 CO 0.89 0.00 1.71 0.00 -0.54 0.00 0.00 174.62 176.68 2oba n THR 110 N -2.20 1.92 -4.13 0.00 -2.24 -1.26 -5.07 114.28 101.31 2oba n THR 110 Ca 0.03 -2.46 -0.13 0.00 -2.27 0.00 0.00 64.05 59.21 2oba n THR 110 Cb 0.26 -0.22 -0.07 0.00 -2.10 0.00 0.00 70.33 68.20 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 -2.93 0.49 -0.28 3.42 1.04 -1.17 -5.14 113.70 109.12 2oba s SER 111 Ca 0.33 -1.34 -0.36 0.00 0.48 0.00 0.00 55.95 55.05 2oba s SER 111 Cb 0.30 0.53 0.17 0.00 0.10 0.00 0.00 66.02 67.11 2oba s SER 111 CO 0.00 -1.06 1.37 -0.83 0.98 0.00 0.00 173.24 173.70 2oba s GLY 112 N -3.17 -0.13 -0.02 7.32 0.00 -1.26 -4.40 107.32 105.66 2oba s GLY 112 Ca 0.33 2.12 -0.06 0.00 0.00 0.00 0.00 44.72 47.11 2oba s GLY 112 CO 0.15 0.75 0.14 0.00 0.00 0.00 0.00 173.10 174.14 2oba s GLU 114 N -0.81 0.05 0.07 0.00 2.12 -1.26 -0.68 118.70 118.19 2oba s GLU 114 Ca -0.09 0.54 0.06 0.00 0.36 0.00 0.00 54.97 55.85 2oba s GLU 114 Cb -0.05 -0.24 -0.03 0.00 0.26 0.00 0.00 34.13 34.07 2oba s GLU 114 CO 0.01 -0.28 -0.17 -0.47 -0.54 0.00 0.00 175.26 173.81 2oba s TYR 115 N 2.08 1.50 -0.05 5.30 5.04 -0.07 -5.00 117.35 126.14 2oba s TYR 115 Ca 0.01 -0.41 0.08 0.00 -2.44 0.00 0.00 57.07 54.31 2oba s TYR 115 Cb -0.12 -0.85 0.12 0.00 0.35 0.00 0.00 41.96 41.46 2oba s TYR 115 CO -0.06 0.10 1.05 0.54 -1.34 0.00 0.00 175.55 175.84 2oba n ARG 116 N 1.46 0.56 0.00 4.97 1.74 -1.26 -1.16 116.66 122.97 2oba n ARG 116 Ca -0.19 -1.63 0.00 0.00 -0.77 0.00 0.00 57.85 55.26 2oba n ARG 116 Cb 0.54 -0.91 0.00 0.00 -1.02 0.00 0.00 32.46 31.07 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 -0.59 -1.29 0.83 -0.13 0.00 -1.26 -4.90 105.19 97.85 2oba n GLY 117 Ca 0.06 -1.60 0.13 0.00 0.00 0.00 0.00 46.02 44.61 2oba n GLY 117 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54