#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fs8 s VAL 17 N 0.00 5.10 -0.99 1.39 1.01 0.11 -4.08 120.40 122.94 2fs8 s VAL 17 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2fs8 s VAL 17 Cb 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.12 2fs8 s VAL 17 CO 0.00 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.24 2fs8 n GLY 18 N 2.82 0.99 0.00 4.51 0.00 -1.23 -2.44 105.19 109.84 2fs8 n GLY 18 Ca -0.18 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.26 2fs8 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fs8 n GLY 19 N -1.72 2.93 3.30 -0.02 0.00 -1.26 -4.87 105.19 103.55 2fs8 n GLY 19 Ca -0.10 -1.87 -0.10 0.00 0.00 0.00 0.00 46.02 43.95 2fs8 n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2fs8 s GLN 20 N 3.34 1.03 0.27 1.61 -0.21 -0.44 -4.95 119.66 120.32 2fs8 s GLN 20 Ca 0.00 -0.72 -0.30 0.00 0.02 0.00 0.00 55.36 54.36 2fs8 s GLN 20 Cb 0.00 0.45 -0.11 0.00 1.00 0.00 0.00 33.01 34.35 2fs8 s GLN 20 CO 0.00 -0.39 1.49 -2.00 -2.12 0.00 0.00 175.29 172.26 2fs8 s GLU 21 N -3.73 4.22 0.24 2.91 2.12 -1.26 -1.01 118.70 122.18 2fs8 s GLU 21 Ca 0.03 2.40 -0.22 0.00 0.36 0.00 0.00 54.97 57.53 2fs8 s GLU 21 Cb 0.02 -3.08 -0.09 0.00 0.26 0.00 0.00 34.13 31.25 2fs8 s GLU 21 CO -0.11 -0.48 0.79 0.00 -0.54 0.00 0.00 175.26 174.91 2fs8 s ALA 22 N -0.09 3.36 0.40 6.30 0.00 0.28 -4.85 121.76 127.17 2fs8 s ALA 22 Ca 0.60 0.28 -0.27 0.00 0.00 0.00 0.00 51.96 52.58 2fs8 s ALA 22 Cb -0.44 -2.93 -0.10 0.00 0.00 0.00 0.00 23.12 19.65 2fs8 s ALA 22 CO 0.46 0.28 1.40 -2.30 0.00 0.00 0.00 175.76 175.60 2fs8 n PRO 23 N 0.79 2.31 0.09 0.00 -0.02 -1.26 -4.83 135.00 132.08 2fs8 n PRO 23 Ca -0.02 0.82 0.05 0.00 -2.02 0.00 0.00 63.50 62.33 2fs8 n PRO 23 Cb 0.50 -2.55 0.29 0.00 -0.02 0.00 0.00 33.50 31.72 2fs8 n PRO 23 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 2fs8 n ARG 24 N 0.18 0.07 -0.34 -0.52 0.00 -1.26 -1.20 116.66 113.59 2fs8 n ARG 24 Ca 0.04 0.54 0.08 0.00 -0.00 0.00 0.00 57.85 58.51 2fs8 n ARG 24 Cb 0.39 -1.81 0.25 0.00 -0.00 0.00 0.00 32.46 31.29 2fs8 n ARG 24 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2fs8 n SER 25 N -1.85 3.64 -4.70 2.89 3.41 -1.26 -4.96 113.62 110.79 2fs8 n SER 25 Ca -0.01 -2.18 -0.31 0.00 -0.26 0.00 0.00 58.87 56.11 2fs8 n SER 25 Cb 0.10 -0.40 -0.08 0.00 -0.26 0.00 0.00 64.21 63.57 2fs8 n SER 25 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2fs8 s LYS 26 N -1.34 2.64 -1.09 4.33 -0.14 -0.34 -4.70 119.74 119.10 2fs8 s LYS 26 Ca 0.37 -0.77 -0.01 0.00 -1.36 0.00 0.00 55.97 54.19 2fs8 s LYS 26 Cb 0.22 -2.59 -0.02 0.00 -1.68 0.00 0.00 37.83 33.76 2fs8 s LYS 26 CO 0.21 0.56 0.92 0.91 -0.76 0.00 0.00 175.35 177.19 2fs8 n TRP 27 N 0.70 -2.11 0.25 3.18 5.03 -1.26 -4.88 117.44 118.35 2fs8 n TRP 27 Ca -0.11 0.86 0.03 0.00 3.03 0.00 0.00 57.50 61.31 2fs8 n TRP 27 Cb 0.52 -4.68 0.13 0.00 -1.03 0.00 0.00 31.31 26.25 2fs8 n TRP 27 CO 0.00 0.00 0.00 -0.35 -0.03 0.00 0.00 177.69 177.31 2fs8 n PRO 28 N -3.73 0.08 -0.00 -0.99 -0.04 -1.26 -2.22 135.00 126.84 2fs8 n PRO 28 Ca -0.22 0.21 0.09 0.00 -0.04 0.00 0.00 63.50 63.54 2fs8 n PRO 28 Cb 0.65 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.49 2fs8 n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2fs8 n TRP 29 N -1.25 0.00 -1.73 0.54 2.14 -1.18 -2.65 117.44 113.30 2fs8 n TRP 29 Ca 0.03 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.17 2fs8 n TRP 29 Cb 0.04 -0.04 -0.01 0.00 -0.81 0.00 0.00 31.31 30.49 2fs8 n TRP 29 CO 0.00 0.00 0.00 0.94 2.07 0.00 0.00 177.69 180.70 2fs8 n GLN 30 N -1.53 2.46 -4.21 -2.67 -0.06 -0.94 -1.21 117.38 109.23 2fs8 n GLN 30 Ca 0.03 0.87 -0.13 0.00 -2.00 0.00 0.00 57.00 55.77 2fs8 n GLN 30 Cb 0.32 -2.57 -0.10 0.00 -4.06 0.00 0.00 30.24 23.83 2fs8 n GLN 30 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 2fs8 s VAL 31 N -0.58 0.96 -0.12 1.69 1.01 -0.79 -2.11 120.40 120.46 2fs8 s VAL 31 Ca 0.60 -1.92 0.02 0.00 0.00 0.00 0.00 61.98 60.67 2fs8 s VAL 31 Cb -0.53 -1.68 0.01 0.00 0.00 0.00 0.00 36.38 34.18 2fs8 s VAL 31 CO 0.56 -0.75 -0.17 -0.55 0.00 0.00 0.00 175.10 174.19 2fs8 s SER 32 N -2.96 2.62 -0.18 3.32 0.15 0.82 -2.62 113.70 114.85 2fs8 s SER 32 Ca 0.12 -0.47 -0.22 0.00 0.70 0.00 0.00 55.95 56.08 2fs8 s SER 32 Cb 0.02 -1.19 -0.03 0.00 -1.71 0.00 0.00 66.02 63.12 2fs8 s SER 32 CO -0.01 0.04 0.66 -0.76 1.20 0.00 0.00 173.24 174.36 2fs8 s LEU 33 N 0.92 4.17 -0.03 3.45 1.02 0.40 -1.07 118.68 127.54 2fs8 s LEU 33 Ca -0.07 0.92 0.03 0.00 0.02 0.00 0.00 54.13 55.03 2fs8 s LEU 33 Cb -0.15 -2.96 -0.03 0.00 0.02 0.00 0.00 46.19 43.07 2fs8 s LEU 33 CO -0.01 -0.27 -0.09 -0.13 0.02 0.00 0.00 176.35 175.87 2fs8 s ARG 34 N 1.79 2.58 -0.05 1.70 1.81 -0.27 -1.46 118.95 125.05 2fs8 s ARG 34 Ca 0.31 -0.67 0.06 0.00 -1.72 0.00 0.00 55.73 53.71 2fs8 s ARG 34 Cb -0.16 -2.49 -0.01 0.00 -0.45 0.00 0.00 34.95 31.84 2fs8 s ARG 34 CO 0.11 0.62 -0.24 0.54 -0.68 0.00 0.00 175.30 175.65 2fs8 s VAL 35 N -0.88 1.98 0.12 3.52 0.11 -0.38 -1.07 120.40 123.81 2fs8 s VAL 35 Ca 0.14 -1.04 -0.31 0.00 -2.93 0.00 0.00 61.98 57.84 2fs8 s VAL 35 Cb -0.11 -1.67 -0.09 0.00 -1.53 0.00 0.00 36.38 32.98 2fs8 s VAL 35 CO 0.04 0.55 1.49 -2.28 -3.33 0.00 0.00 175.10 171.58 2fs8 s HIS 36 N -0.25 3.06 0.00 1.54 2.46 -0.39 -2.44 115.29 119.27 2fs8 s HIS 36 Ca -0.00 0.74 0.00 0.00 0.47 0.00 0.00 55.06 56.27 2fs8 s HIS 36 Cb -0.13 -3.81 0.00 0.00 -0.13 0.00 0.00 32.58 28.51 2fs8 s HIS 36 CO 0.02 -2.98 0.00 0.41 -2.47 0.00 0.00 174.74 169.73 2fs8 n GLY 37 N 3.66 2.83 0.38 1.59 0.00 -1.26 -4.96 105.19 107.44 2fs8 n GLY 37 Ca 0.13 -0.25 0.20 0.00 0.00 0.00 0.00 46.02 46.10 2fs8 n GLY 37 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2fs8 h PRO 37 N 0.00 0.00 -2.53 1.61 0.11 -2.04 -3.42 132.00 125.74 2fs8 h PRO 37 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 2fs8 h PRO 37 Cb 0.00 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 30.96 2fs8 h PRO 37 CO 0.00 0.00 0.21 1.52 -0.21 0.00 0.00 178.00 179.52 2fs8 s TYR 37 N -4.92 -0.59 -0.90 0.65 1.13 -1.26 -5.07 117.35 106.40 2fs8 s TYR 37 Ca -0.05 0.68 -0.25 0.00 -1.41 0.00 0.00 57.07 56.05 2fs8 s TYR 37 Cb 0.19 0.49 -0.09 0.00 -1.10 0.00 0.00 41.96 41.45 2fs8 s TYR 37 CO 0.69 -0.73 2.09 -1.58 -2.51 0.00 0.00 175.55 173.51 2fs8 s TRP 38 N -2.57 1.59 0.25 -3.49 0.52 -1.26 -4.75 118.94 109.23 2fs8 s TRP 38 Ca -0.04 1.10 -0.24 0.00 0.02 0.00 0.00 56.10 56.93 2fs8 s TRP 38 Cb -0.01 -3.83 -0.09 0.00 -1.15 0.00 0.00 33.47 28.40 2fs8 s TRP 38 CO -0.03 -1.60 0.84 1.41 0.02 0.00 0.00 176.95 177.59 2fs8 s MET 39 N 7.60 4.50 0.13 4.98 1.75 -1.02 -4.70 119.30 132.55 2fs8 s MET 39 Ca 0.77 1.16 -0.30 0.00 -1.25 0.00 0.00 55.69 56.07 2fs8 s MET 39 Cb -0.08 -2.97 -0.07 0.00 2.84 0.00 0.00 34.83 34.55 2fs8 s MET 39 CO 0.04 0.40 1.21 -1.58 -0.65 0.00 0.00 175.02 174.44 2fs8 s HIS 40 N -1.44 3.42 0.00 4.11 2.46 -1.26 -1.24 115.29 121.33 2fs8 s HIS 40 Ca 0.44 1.34 0.00 0.00 0.47 0.00 0.00 55.06 57.31 2fs8 s HIS 40 Cb -0.20 -3.45 0.00 0.00 -0.13 0.00 0.00 32.58 28.80 2fs8 s HIS 40 CO 0.24 -1.33 0.00 1.97 -2.47 0.00 0.00 174.74 173.15 2fs8 n PHE 41 N 3.14 0.00 -3.62 3.88 -1.74 -0.54 -4.96 117.46 113.62 2fs8 n PHE 41 Ca 0.07 0.00 -0.05 0.00 -0.56 0.00 0.00 57.45 56.91 2fs8 n PHE 41 Cb 0.45 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.43 2fs8 n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2fs8 n GLY 43 N -0.34 1.96 3.92 0.00 0.00 0.56 -0.45 105.19 110.83 2fs8 n GLY 43 Ca -0.07 -2.17 0.02 0.00 0.00 0.00 0.00 46.02 43.81 2fs8 n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fs8 s GLY 44 N -2.96 -0.15 -0.01 -0.02 0.00 -1.08 -3.80 107.32 99.30 2fs8 s GLY 44 Ca 0.22 0.11 -0.02 0.00 0.00 0.00 0.00 44.72 45.04 2fs8 s GLY 44 CO 0.14 4.54 0.04 -1.35 0.00 0.00 0.00 173.10 176.47 2fs8 s SER 45 N -3.65 -0.01 -0.51 1.64 1.04 -0.51 -1.88 113.70 109.81 2fs8 s SER 45 Ca 0.26 0.01 -0.24 0.00 0.48 0.00 0.00 55.95 56.47 2fs8 s SER 45 Cb 0.00 0.10 0.04 0.00 0.10 0.00 0.00 66.02 66.26 2fs8 s SER 45 CO -0.01 -0.07 0.90 -0.22 0.98 0.00 0.00 173.24 174.82 2fs8 s LEU 46 N -0.22 4.13 0.00 2.42 2.96 -0.35 -0.81 118.68 126.82 2fs8 s LEU 46 Ca -0.03 -0.20 0.20 0.00 -0.22 0.00 0.00 54.13 53.88 2fs8 s LEU 46 Cb -0.02 -2.94 -0.01 0.00 0.50 0.00 0.00 46.19 43.72 2fs8 s LEU 46 CO 0.00 -1.11 1.01 2.30 -1.32 0.00 0.00 176.35 177.22 2fs8 n ILE 47 N 6.22 0.00 -3.58 6.68 -5.35 -0.87 -0.68 119.36 121.78 2fs8 n ILE 47 Ca 0.03 -0.28 -0.14 0.00 -0.27 0.00 0.00 62.75 62.09 2fs8 n ILE 47 Cb 0.48 1.23 -0.06 0.00 -1.74 0.00 0.00 39.64 39.55 2fs8 n ILE 47 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 2fs8 s HIS 48 N -2.29 -0.60 0.60 4.28 5.04 -1.18 -4.72 115.29 116.43 2fs8 s HIS 48 Ca 0.17 1.24 0.28 0.00 -1.54 0.00 0.00 55.06 55.20 2fs8 s HIS 48 Cb 0.16 0.37 1.01 0.00 0.04 0.00 0.00 32.58 34.17 2fs8 s HIS 48 CO 0.52 -0.43 1.38 -1.35 -2.34 0.00 0.00 174.74 172.52 2fs8 h PRO 49 N 3.63 0.00 0.00 2.88 0.11 -1.93 0.49 132.00 137.19 2fs8 h PRO 49 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2fs8 h PRO 49 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2fs8 h PRO 49 CO 0.24 0.00 -0.02 0.94 -0.21 0.00 0.00 178.00 178.95 2fs8 n GLN 50 N -3.32 1.92 -4.43 1.05 7.27 -1.26 -0.45 117.38 118.15 2fs8 n GLN 50 Ca 0.22 -1.29 -0.20 0.00 0.07 0.00 0.00 57.00 55.81 2fs8 n GLN 50 Cb 1.45 -0.88 -0.15 0.00 2.41 0.00 0.00 30.24 33.07 2fs8 n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 2fs8 s TRP 51 N -0.84 0.96 -0.14 3.69 0.52 0.16 -0.52 118.94 122.77 2fs8 s TRP 51 Ca 0.03 -0.20 0.02 0.00 0.02 0.00 0.00 56.10 55.97 2fs8 s TRP 51 Cb 0.02 -0.61 0.01 0.00 -1.15 0.00 0.00 33.47 31.74 2fs8 s TRP 51 CO 0.00 -0.01 -0.22 0.08 0.02 0.00 0.00 176.95 176.82 2fs8 s VAL 52 N -0.32 2.04 0.01 4.03 1.01 0.19 -2.06 120.40 125.30 2fs8 s VAL 52 Ca 0.03 -0.96 -0.20 0.00 0.00 0.00 0.00 61.98 60.85 2fs8 s VAL 52 Cb -0.04 -1.81 -0.06 0.00 0.00 0.00 0.00 36.38 34.47 2fs8 s VAL 52 CO -0.00 0.55 0.57 -0.22 0.00 0.00 0.00 175.10 176.00 2fs8 s LEU 53 N 0.86 4.44 0.00 3.92 2.96 0.01 -0.32 118.68 130.54 2fs8 s LEU 53 Ca -0.06 1.16 -0.02 0.00 -0.22 0.00 0.00 54.13 54.99 2fs8 s LEU 53 Cb -0.15 -2.89 0.01 0.00 0.50 0.00 0.00 46.19 43.66 2fs8 s LEU 53 CO -0.03 0.15 0.14 1.07 -1.32 0.00 0.00 176.35 176.36 2fs8 n THR 54 N 2.50 0.00 -3.53 3.68 5.66 -0.68 -1.43 114.28 120.48 2fs8 n THR 54 Ca -0.08 -0.31 -0.37 0.00 -3.05 0.00 0.00 64.05 60.24 2fs8 n THR 54 Cb 0.51 0.23 -0.07 0.00 -1.55 0.00 0.00 70.33 69.45 2fs8 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2fs8 s ALA 55 N -1.54 3.62 0.33 1.79 0.00 -1.26 -1.23 121.76 123.47 2fs8 s ALA 55 Ca 0.05 -0.38 0.04 0.00 0.00 0.00 0.00 51.96 51.67 2fs8 s ALA 55 Cb -0.01 -2.39 0.64 0.00 0.00 0.00 0.00 23.12 21.36 2fs8 s ALA 55 CO 0.04 0.21 1.92 0.00 0.00 0.00 0.00 175.76 177.93 2fs8 h ALA 56 N 6.11 1.62 0.00 0.00 0.00 -1.70 -1.18 119.26 124.11 2fs8 h ALA 56 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2fs8 h ALA 56 Cb 1.18 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2fs8 h ALA 56 CO 0.71 0.24 0.00 -2.39 0.00 0.00 0.00 179.25 177.81 2fs8 n HIS 57 N -4.50 0.00 0.09 0.00 1.44 -1.26 -1.06 115.22 109.93 2fs8 n HIS 57 Ca 0.13 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.80 2fs8 n HIS 57 Cb 0.24 -0.42 -0.06 0.00 0.12 0.00 0.00 29.99 29.87 2fs8 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2fs8 n VAL 59 N -3.34 1.23 -2.96 0.00 0.24 -0.40 -5.02 118.33 108.08 2fs8 n VAL 59 Ca 0.00 -1.87 0.00 0.00 -2.04 0.00 0.00 64.34 60.43 2fs8 n VAL 59 Cb 0.86 0.16 0.00 0.00 -1.47 0.00 0.00 33.84 33.39 2fs8 n VAL 59 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2fs8 n GLY 60 N -0.66 1.51 0.28 7.63 0.00 -0.23 -4.56 105.19 109.17 2fs8 n GLY 60 Ca 0.12 -0.77 0.16 0.00 0.00 0.00 0.00 46.02 45.53 2fs8 n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2fs8 h PRO 60 N 0.00 0.00 -6.93 1.61 0.13 -1.80 -3.41 132.00 121.60 2fs8 h PRO 60 Ca 0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.64 2fs8 h PRO 60 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 2fs8 h PRO 60 CO 0.00 0.07 0.42 -0.51 -0.23 0.00 0.00 178.00 177.75 2fs8 s ASP 60 N -5.84 6.86 0.33 1.44 1.01 -1.26 -4.98 116.67 114.23 2fs8 s ASP 60 Ca -0.02 2.07 -0.29 0.00 0.71 0.00 0.00 52.55 55.01 2fs8 s ASP 60 Cb 0.12 -2.59 -0.11 0.00 1.01 0.00 0.00 42.92 41.35 2fs8 s ASP 60 CO 0.54 -0.42 1.55 -0.69 0.21 0.00 0.00 175.17 176.36 2fs8 s VAL 60 N -1.58 2.04 0.23 -1.27 1.01 -1.26 -5.01 120.40 114.57 2fs8 s VAL 60 Ca 0.55 0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.65 2fs8 s VAL 60 Cb -0.23 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 2fs8 s VAL 60 CO 0.30 0.01 0.03 -0.54 0.00 0.00 0.00 175.10 174.90 2fs8 s LYS 60 N -1.25 2.45 -0.29 2.72 -0.14 -1.26 -5.08 119.74 116.89 2fs8 s LYS 60 Ca 0.58 -1.25 -0.22 0.00 -1.36 0.00 0.00 55.97 53.73 2fs8 s LYS 60 Cb -0.47 -2.30 -0.01 0.00 -1.68 0.00 0.00 37.83 33.37 2fs8 s LYS 60 CO 0.55 0.40 0.71 0.34 -0.76 0.00 0.00 175.35 176.60 2fs8 s ASP 60 N -3.46 6.61 0.28 2.83 3.68 -1.26 -4.95 116.67 120.39 2fs8 s ASP 60 Ca 0.30 0.62 -0.00 0.00 2.13 0.00 0.00 52.55 55.60 2fs8 s ASP 60 Cb -0.08 -2.37 0.50 0.00 -1.45 0.00 0.00 42.92 39.52 2fs8 s ASP 60 CO 0.20 -0.52 1.86 -0.07 0.13 0.00 0.00 175.17 176.77 2fs8 h LEU 61 N 9.25 0.97 -1.87 -1.34 4.07 -1.95 -1.69 115.31 122.76 2fs8 h LEU 61 Ca -0.25 0.03 0.07 0.00 0.08 0.00 0.00 57.88 57.81 2fs8 h LEU 61 Cb 1.11 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.67 2fs8 h LEU 61 CO 0.84 0.57 0.45 0.00 -1.08 0.00 0.00 178.44 179.21 2fs8 h ALA 62 N 1.50 1.80 -0.33 1.53 0.00 -1.92 0.36 119.26 122.19 2fs8 h ALA 62 Ca 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.37 2fs8 h ALA 62 Cb 0.35 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2fs8 h ALA 62 CO -0.22 -0.57 0.00 0.00 0.00 0.00 0.00 179.25 178.46 2fs8 n ALA 63 N -2.10 2.45 -2.49 0.00 0.00 -0.63 -4.93 120.51 112.80 2fs8 n ALA 63 Ca 0.04 -0.86 -0.31 0.00 0.00 0.00 0.00 53.44 52.31 2fs8 n ALA 63 Cb 0.57 -0.94 -0.12 0.00 0.00 0.00 0.00 19.45 18.96 2fs8 n ALA 63 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2fs8 s LEU 64 N -1.49 2.73 0.08 0.00 2.96 0.12 -1.26 118.68 121.82 2fs8 s LEU 64 Ca 0.37 -0.36 -0.04 0.00 -0.22 0.00 0.00 54.13 53.87 2fs8 s LEU 64 Cb 0.21 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 45.29 2fs8 s LEU 64 CO 0.30 0.26 0.08 -0.13 -1.32 0.00 0.00 176.35 175.54 2fs8 s ARG 65 N -1.42 0.77 -0.04 1.98 1.81 -0.23 -4.26 118.95 117.55 2fs8 s ARG 65 Ca 0.15 -1.15 0.06 0.00 -1.72 0.00 0.00 55.73 53.07 2fs8 s ARG 65 Cb -0.11 0.27 -0.01 0.00 -0.45 0.00 0.00 34.95 34.66 2fs8 s ARG 65 CO 0.06 -0.21 -0.21 0.08 -0.68 0.00 0.00 175.30 174.34 2fs8 s VAL 66 N -3.92 1.73 -0.11 3.52 1.01 0.11 -1.12 120.40 121.62 2fs8 s VAL 66 Ca 0.09 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.21 2fs8 s VAL 66 Cb 0.06 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.98 2fs8 s VAL 66 CO -0.08 0.49 -0.22 -1.58 0.00 0.00 0.00 175.10 173.70 2fs8 s GLN 67 N -0.16 3.08 0.71 2.72 2.00 -0.24 0.06 119.66 127.84 2fs8 s GLN 67 Ca -0.01 -0.86 -0.05 0.00 -2.00 0.00 0.00 55.36 52.44 2fs8 s GLN 67 Cb -0.12 -2.36 0.09 0.00 0.80 0.00 0.00 33.01 31.42 2fs8 s GLN 67 CO 0.02 0.14 1.01 -0.51 -0.50 0.00 0.00 175.29 175.44 2fs8 s LEU 68 N 0.46 2.92 -0.00 3.68 1.43 -1.26 -0.13 118.68 125.78 2fs8 s LEU 68 Ca -0.15 0.14 -0.00 0.00 -1.03 0.00 0.00 54.13 53.08 2fs8 s LEU 68 Cb -0.17 -2.68 -0.00 0.00 0.03 0.00 0.00 46.19 43.37 2fs8 s LEU 68 CO 0.06 -1.73 0.02 -1.14 0.23 0.00 0.00 176.35 173.79 2fs8 n ARG 69 N -2.90 0.00 -3.81 1.70 3.00 -0.89 -4.80 116.66 108.95 2fs8 n ARG 69 Ca 0.11 0.00 -0.18 0.00 -0.00 0.00 0.00 57.85 57.78 2fs8 n ARG 69 Cb 0.60 -0.01 -0.17 0.00 0.00 0.00 0.00 32.46 32.88 2fs8 n ARG 69 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2fs8 s GLU 70 N 0.04 0.15 0.14 -0.14 2.02 -1.26 -5.04 118.70 114.60 2fs8 s GLU 70 Ca 0.01 0.17 -0.15 0.00 0.02 0.00 0.00 54.97 55.02 2fs8 s GLU 70 Cb -0.01 -0.46 0.01 0.00 0.10 0.00 0.00 34.13 33.76 2fs8 s GLU 70 CO 0.01 -0.20 1.71 1.96 0.02 0.00 0.00 175.26 178.76 2fs8 h GLN 71 N 7.61 0.63 -4.10 1.61 1.08 -1.93 -3.41 115.11 116.60 2fs8 h GLN 71 Ca -0.35 -0.10 -0.52 0.00 -1.45 0.00 0.00 58.65 56.23 2fs8 h GLN 71 Cb 1.13 -0.11 -0.37 0.00 -0.05 0.00 0.00 27.48 28.07 2fs8 h GLN 71 CO 0.39 0.55 -0.79 -1.01 -0.95 0.00 0.00 178.83 177.02 2fs8 s HIS 72 N -5.65 1.40 0.52 2.96 3.76 -1.26 -1.42 115.29 115.60 2fs8 s HIS 72 Ca -0.13 -0.75 -0.20 0.00 -0.15 0.00 0.00 55.06 53.83 2fs8 s HIS 72 Cb 0.11 -1.18 -0.09 0.00 1.11 0.00 0.00 32.58 32.52 2fs8 s HIS 72 CO 0.75 -0.52 0.64 1.28 -0.85 0.00 0.00 174.74 176.04 2fs8 n LEU 73 N 4.96 1.13 0.00 0.89 4.77 -0.53 -2.28 117.00 125.95 2fs8 n LEU 73 Ca -0.11 0.82 0.00 0.00 -0.03 0.00 0.00 56.01 56.69 2fs8 n LEU 73 Cb 0.49 -1.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.38 2fs8 n LEU 73 CO 0.15 -2.69 0.00 -1.22 -1.33 0.00 0.00 177.39 172.30 2fs8 n TYR 74 N -1.36 0.00 0.09 -1.77 4.01 -1.26 -4.83 117.16 112.03 2fs8 n TYR 74 Ca 0.11 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.82 2fs8 n TYR 74 Cb 0.45 -0.27 -0.02 0.00 -0.31 0.00 0.00 39.34 39.19 2fs8 n TYR 74 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 2fs8 h TYR 75 N 0.00 -0.22 -2.04 -0.72 -0.00 -1.82 -3.36 116.97 108.81 2fs8 h TYR 75 Ca 0.00 -0.01 -0.73 0.00 -0.00 0.00 0.00 58.73 57.99 2fs8 h TYR 75 Cb 0.00 0.07 -0.31 0.00 -0.00 0.00 0.00 36.73 36.49 2fs8 h TYR 75 CO 0.00 -0.14 0.58 1.04 -0.00 0.00 0.00 178.16 179.65 2fs8 n GLN 79 N -3.00 3.77 -1.92 1.82 1.13 -1.26 -5.04 117.38 112.88 2fs8 n GLN 79 Ca -0.03 -4.19 -0.41 0.00 -1.94 0.00 0.00 57.00 50.43 2fs8 n GLN 79 Cb 0.10 -2.33 -0.01 0.00 0.11 0.00 0.00 30.24 28.10 2fs8 n GLN 79 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2fs8 s ASP 80 N -1.82 6.53 -0.45 1.08 1.11 -1.26 -4.96 116.67 116.90 2fs8 s ASP 80 Ca 0.47 2.85 0.07 0.00 0.18 0.00 0.00 52.55 56.11 2fs8 s ASP 80 Cb 0.34 -2.65 0.23 0.00 1.07 0.00 0.00 42.92 41.91 2fs8 s ASP 80 CO -0.26 -0.76 0.70 0.00 1.18 0.00 0.00 175.17 176.02 2fs8 n GLN 81 N 1.37 0.68 -1.74 8.23 6.02 -1.26 -5.14 117.38 125.55 2fs8 n GLN 81 Ca 0.04 -2.41 -0.42 0.00 -0.01 0.00 0.00 57.00 54.19 2fs8 n GLN 81 Cb 0.40 -1.39 -0.01 0.00 1.02 0.00 0.00 30.24 30.26 2fs8 n GLN 81 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2fs8 n LEU 82 N 1.80 4.15 -4.36 1.08 4.77 -1.26 -4.72 117.00 118.46 2fs8 n LEU 82 Ca 0.16 1.21 -0.32 0.00 -0.03 0.00 0.00 56.01 57.03 2fs8 n LEU 82 Cb 0.57 -1.55 -0.15 0.00 -2.33 0.00 0.00 43.42 39.96 2fs8 n LEU 82 CO 0.09 -0.14 -0.49 -0.76 -1.33 0.00 0.00 177.39 174.75 2fs8 s LEU 83 N -1.39 2.50 0.68 2.23 1.43 0.11 -4.89 118.68 119.36 2fs8 s LEU 83 Ca 0.56 -0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 53.17 2fs8 s LEU 83 Cb -0.52 -1.52 0.01 0.00 0.03 0.00 0.00 46.19 44.18 2fs8 s LEU 83 CO 0.61 0.23 1.07 -2.16 0.23 0.00 0.00 176.35 176.33 2fs8 s PRO 84 N -0.03 2.87 -0.16 1.29 0.04 -1.26 0.07 135.00 137.82 2fs8 s PRO 84 Ca -0.05 1.09 -0.03 0.00 0.04 0.00 0.00 61.00 62.06 2fs8 s PRO 84 Cb -0.14 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 2fs8 s PRO 84 CO 0.04 -1.16 -0.07 0.08 0.04 0.00 0.00 177.00 175.94 2fs8 s VAL 85 N -2.82 3.52 0.04 -0.36 1.01 -1.26 -2.92 120.40 117.61 2fs8 s VAL 85 Ca 0.61 -0.48 0.10 0.00 0.00 0.00 0.00 61.98 62.20 2fs8 s VAL 85 Cb -0.16 -2.54 -0.19 0.00 0.00 0.00 0.00 36.38 33.50 2fs8 s VAL 85 CO 0.50 0.49 1.08 0.77 0.00 0.00 0.00 175.10 177.94 2fs8 h SER 86 N 6.96 0.00 -4.85 3.32 4.64 -1.00 -3.46 113.55 119.16 2fs8 h SER 86 Ca -0.31 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.94 2fs8 h SER 86 Cb 1.19 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.09 2fs8 h SER 86 CO 0.60 0.94 0.08 -0.60 -0.87 0.00 0.00 176.83 176.98 2fs8 s ARG 87 N -2.71 0.94 -0.24 4.77 3.52 -1.15 -4.99 118.95 119.10 2fs8 s ARG 87 Ca -0.01 0.27 -0.00 0.00 -0.13 0.00 0.00 55.73 55.86 2fs8 s ARG 87 Cb 0.09 0.44 0.03 0.00 -1.56 0.00 0.00 34.95 33.96 2fs8 s ARG 87 CO 0.82 -0.27 -0.10 0.42 -0.81 0.00 0.00 175.30 175.36 2fs8 s ILE 88 N -0.99 2.56 -0.37 4.11 1.01 -1.26 -1.38 121.20 124.87 2fs8 s ILE 88 Ca -0.10 -1.13 -0.05 0.00 0.00 0.00 0.00 60.65 59.37 2fs8 s ILE 88 Cb -0.02 -2.30 0.07 0.00 0.01 0.00 0.00 42.46 40.23 2fs8 s ILE 88 CO 0.08 0.23 0.16 -0.63 0.00 0.00 0.00 174.94 174.77 2fs8 s ILE 89 N 1.27 3.61 -0.22 2.92 1.01 0.39 -4.98 121.20 125.20 2fs8 s ILE 89 Ca -0.01 -1.52 -0.09 0.00 0.00 0.00 0.00 60.65 59.03 2fs8 s ILE 89 Cb -0.17 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.05 2fs8 s ILE 89 CO -0.06 -0.40 0.10 -0.69 0.00 0.00 0.00 174.94 173.88 2fs8 s VAL 90 N 1.30 4.93 -0.05 2.92 1.01 -1.26 -0.07 120.40 129.18 2fs8 s VAL 90 Ca 0.02 0.03 -0.39 0.00 0.00 0.00 0.00 61.98 61.64 2fs8 s VAL 90 Cb -0.22 -3.27 -0.17 0.00 0.00 0.00 0.00 36.38 32.72 2fs8 s VAL 90 CO -0.00 0.39 1.40 1.57 0.00 0.00 0.00 175.10 178.46 2fs8 n HIS 91 N 4.10 1.49 0.30 5.22 -0.00 -1.12 -4.83 115.22 120.38 2fs8 n HIS 91 Ca -0.16 0.73 0.16 0.00 0.46 0.00 0.00 57.72 58.90 2fs8 n HIS 91 Cb 0.52 -2.31 0.93 0.00 -0.12 0.00 0.00 29.99 29.01 2fs8 n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2fs8 h PRO 92 N 4.89 0.00 -0.01 1.57 0.13 -1.93 -2.31 132.00 134.35 2fs8 h PRO 92 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2fs8 h PRO 92 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2fs8 h PRO 92 CO 0.81 0.01 -0.03 1.04 -0.23 0.00 0.00 178.00 179.60 2fs8 n GLN 93 N -3.75 1.20 -2.99 0.86 6.02 -1.26 -4.89 117.38 112.57 2fs8 n GLN 93 Ca -0.03 -0.44 -0.40 0.00 -0.01 0.00 0.00 57.00 56.13 2fs8 n GLN 93 Cb 0.10 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 29.81 2fs8 n GLN 93 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 2fs8 s PHE 94 N -2.10 3.81 0.01 1.08 5.36 -0.87 -4.78 117.98 120.48 2fs8 s PHE 94 Ca 0.40 1.54 0.00 0.00 -0.96 0.00 0.00 56.93 57.91 2fs8 s PHE 94 Cb 0.21 -2.79 0.00 0.00 -0.34 0.00 0.00 43.02 40.10 2fs8 s PHE 94 CO 0.38 0.39 0.00 0.98 -1.46 0.00 0.00 175.22 175.51 2fs8 n TYR 95 N 2.26 -0.08 -3.93 10.12 9.36 -1.26 -4.89 117.16 128.73 2fs8 n TYR 95 Ca -0.04 0.01 -0.10 0.00 3.32 0.00 0.00 57.90 61.09 2fs8 n TYR 95 Cb 0.50 0.45 -0.10 0.00 -0.63 0.00 0.00 39.34 39.55 2fs8 n TYR 95 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 2fs8 s THR 96 N -2.00 0.10 0.38 2.97 -4.23 -1.26 -4.48 115.64 107.11 2fs8 s THR 96 Ca 0.00 -0.79 0.06 0.00 -1.18 0.00 0.00 61.69 59.78 2fs8 s THR 96 Cb 0.00 -0.34 0.28 0.00 1.34 0.00 0.00 72.50 73.79 2fs8 s THR 96 CO 0.00 -0.44 2.00 0.00 -0.54 0.00 0.00 174.62 175.64 2fs8 h ALA 97 N 4.50 1.70 0.00 3.99 0.00 -1.97 -1.65 119.26 125.83 2fs8 h ALA 97 Ca -0.31 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 2fs8 h ALA 97 Cb 1.20 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2fs8 h ALA 97 CO 0.41 0.22 -0.17 1.96 0.00 0.00 0.00 179.25 181.67 2fs8 h GLN 98 N 0.70 0.00 0.16 0.00 7.50 -1.97 -2.91 115.11 118.59 2fs8 h GLN 98 Ca 0.25 0.00 -0.25 0.00 0.50 0.00 0.00 58.65 59.15 2fs8 h GLN 98 Cb 0.13 0.00 0.02 0.00 0.05 0.00 0.00 27.48 27.68 2fs8 h GLN 98 CO -0.07 0.17 -1.16 0.82 -1.50 0.00 0.00 178.83 177.08 2fs8 h ILE 99 N 0.00 1.31 0.00 2.54 2.04 -1.71 -3.47 117.51 118.22 2fs8 h ILE 99 Ca -0.00 -2.54 0.00 0.00 1.00 0.00 0.00 64.86 63.32 2fs8 h ILE 99 Cb 0.53 3.02 0.00 0.00 -0.74 0.00 0.00 36.82 39.63 2fs8 h ILE 99 CO 0.02 0.74 0.00 0.61 0.00 0.00 0.00 178.15 179.52 2fs8 n GLY 100 N 1.71 0.57 3.30 5.37 0.00 -0.85 -4.99 105.19 110.29 2fs8 n GLY 100 Ca -0.18 -2.17 -0.24 0.00 0.00 0.00 0.00 46.02 43.43 2fs8 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fs8 n ALA 101 N -1.00 -1.08 -1.78 4.61 0.00 -1.26 -4.43 120.51 115.56 2fs8 n ALA 101 Ca 0.00 0.25 -0.41 0.00 0.00 0.00 0.00 53.44 53.28 2fs8 n ALA 101 Cb 0.00 -3.97 -0.01 0.00 0.00 0.00 0.00 19.45 15.47 2fs8 n ALA 101 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2fs8 n ASP 102 N -2.59 6.09 -3.88 0.00 2.03 -1.26 -4.28 116.55 112.66 2fs8 n ASP 102 Ca -0.05 -2.87 -0.11 0.00 0.52 0.00 0.00 54.79 52.28 2fs8 n ASP 102 Cb 0.58 -1.55 -0.11 0.00 -0.72 0.00 0.00 41.12 39.32 2fs8 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2fs8 s ILE 103 N 1.68 0.06 0.22 5.18 2.07 -1.26 -3.48 121.20 125.67 2fs8 s ILE 103 Ca 0.53 -0.48 -0.14 0.00 -1.41 0.00 0.00 60.65 59.15 2fs8 s ILE 103 Cb 0.15 -0.30 0.01 0.00 0.13 0.00 0.00 42.46 42.45 2fs8 s ILE 103 CO -0.06 -0.26 0.46 0.00 -1.91 0.00 0.00 174.94 173.17 2fs8 s ALA 104 N -0.86 -0.44 0.04 1.50 0.00 -0.36 -2.80 121.76 118.84 2fs8 s ALA 104 Ca -0.09 -0.66 0.05 0.00 0.00 0.00 0.00 51.96 51.26 2fs8 s ALA 104 Cb -0.06 0.95 -0.02 0.00 0.00 0.00 0.00 23.12 24.00 2fs8 s ALA 104 CO 0.01 -0.81 -0.15 -0.51 0.00 0.00 0.00 175.76 174.30 2fs8 s LEU 105 N -2.96 2.17 -0.19 0.00 1.43 0.90 -1.69 118.68 118.35 2fs8 s LEU 105 Ca 0.17 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 2fs8 s LEU 105 Cb -0.00 -0.65 0.03 0.00 0.03 0.00 0.00 46.19 45.59 2fs8 s LEU 105 CO 0.04 0.05 -0.17 -0.76 0.23 0.00 0.00 176.35 175.74 2fs8 s LEU 106 N -1.14 2.21 -0.23 1.79 1.43 0.56 -0.46 118.68 122.84 2fs8 s LEU 106 Ca 0.02 -0.73 -0.17 0.00 -1.03 0.00 0.00 54.13 52.23 2fs8 s LEU 106 Cb -0.08 -1.40 -0.03 0.00 0.03 0.00 0.00 46.19 44.70 2fs8 s LEU 106 CO 0.01 -0.05 0.46 -0.70 0.23 0.00 0.00 176.35 176.30 2fs8 s GLU 107 N 1.32 4.11 0.60 1.70 2.12 -0.48 -0.64 118.70 127.43 2fs8 s GLU 107 Ca 0.03 0.25 -0.14 0.00 0.36 0.00 0.00 54.97 55.47 2fs8 s GLU 107 Cb -0.14 -3.60 -0.04 0.00 0.26 0.00 0.00 34.13 30.61 2fs8 s GLU 107 CO -0.11 -0.21 1.03 -0.51 -0.54 0.00 0.00 175.26 174.92 2fs8 s LEU 108 N 1.84 3.39 0.12 2.70 1.43 0.32 -0.48 118.68 128.01 2fs8 s LEU 108 Ca 0.20 1.62 0.25 0.00 -1.03 0.00 0.00 54.13 55.16 2fs8 s LEU 108 Cb -0.15 -4.50 0.94 0.00 0.03 0.00 0.00 46.19 42.50 2fs8 s LEU 108 CO 0.09 -1.00 1.76 1.21 0.23 0.00 0.00 176.35 178.64 2fs8 n GLU 109 N -2.30 0.13 -3.76 1.70 2.13 -1.15 -4.48 120.64 112.91 2fs8 n GLU 109 Ca 0.07 0.20 -0.13 0.00 0.66 0.00 0.00 57.16 57.96 2fs8 n GLU 109 Cb 0.54 -1.68 -0.09 0.00 0.27 0.00 0.00 31.44 30.48 2fs8 n GLU 109 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2fs8 s GLU 110 N -3.10 0.65 0.37 5.31 0.41 -1.26 -5.01 118.70 116.08 2fs8 s GLU 110 Ca 0.10 -0.17 -0.25 0.00 -0.41 0.00 0.00 54.97 54.24 2fs8 s GLU 110 Cb 0.13 0.29 -0.09 0.00 -1.78 0.00 0.00 34.13 32.68 2fs8 s GLU 110 CO 0.48 -0.17 1.06 -2.14 -0.49 0.00 0.00 175.26 174.00 2fs8 s PRO 111 N -1.25 4.26 0.17 0.39 0.02 -1.26 -4.72 135.00 132.60 2fs8 s PRO 111 Ca -0.13 1.58 -0.13 0.00 0.02 0.00 0.00 61.00 62.34 2fs8 s PRO 111 Cb -0.05 -2.68 -0.07 0.00 0.02 0.00 0.00 34.50 31.72 2fs8 s PRO 111 CO 0.04 -0.07 0.54 0.14 -0.33 0.00 0.00 177.00 177.32 2fs8 s VAL 112 N -1.55 4.89 -1.04 3.83 -7.23 0.40 -4.97 120.40 114.73 2fs8 s VAL 112 Ca 0.55 0.69 -0.22 0.00 -1.81 0.00 0.00 61.98 61.20 2fs8 s VAL 112 Cb -0.24 -3.69 0.07 0.00 0.56 0.00 0.00 36.38 33.07 2fs8 s VAL 112 CO 0.30 0.14 1.43 -0.54 -0.31 0.00 0.00 175.10 176.13 2fs8 s LYS 113 N -2.24 3.64 0.42 4.82 -0.14 -1.26 -4.85 119.74 120.13 2fs8 s LYS 113 Ca 0.41 -1.33 -0.23 0.00 -1.36 0.00 0.00 55.97 53.45 2fs8 s LYS 113 Cb -0.14 -5.31 -0.11 0.00 -1.68 0.00 0.00 37.83 30.59 2fs8 s LYS 113 CO 0.20 -2.14 0.82 1.33 -0.76 0.00 0.00 175.35 174.79 2fs8 n VAL 114 N 6.60 2.23 -4.26 3.17 0.24 -1.26 -4.96 118.33 120.08 2fs8 n VAL 114 Ca 0.33 -0.50 -0.18 0.00 -2.04 0.00 0.00 64.34 61.95 2fs8 n VAL 114 Cb 0.50 -0.88 -0.08 0.00 -1.47 0.00 0.00 33.84 31.91 2fs8 n VAL 114 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2fs8 s SER 115 N -0.85 1.42 0.47 -1.34 1.04 0.39 -4.96 113.70 109.87 2fs8 s SER 115 Ca 0.64 -1.69 0.23 0.00 0.48 0.00 0.00 55.95 55.61 2fs8 s SER 115 Cb -0.58 0.54 1.19 0.00 0.10 0.00 0.00 66.02 67.26 2fs8 s SER 115 CO 0.57 -1.05 1.97 -1.28 0.98 0.00 0.00 173.24 174.44 2fs8 h SER 116 N 2.20 0.00 0.64 7.02 0.87 -2.02 -2.75 113.55 119.52 2fs8 h SER 116 Ca -0.27 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.19 2fs8 h SER 116 Cb 1.23 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.18 2fs8 h SER 116 CO 0.39 0.19 -1.44 1.57 -0.53 0.00 0.00 176.83 177.01 2fs8 n HIS 117 N -3.72 0.77 -3.54 2.24 -0.00 -1.26 -4.79 115.22 104.92 2fs8 n HIS 117 Ca -0.02 0.24 -0.29 0.00 -0.00 0.00 0.00 57.72 57.66 2fs8 n HIS 117 Cb 0.31 -0.96 -0.14 0.00 -0.00 0.00 0.00 29.99 29.19 2fs8 n HIS 117 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2fs8 s VAL 118 N -3.12 0.02 0.24 3.57 1.01 -1.04 -4.50 120.40 116.58 2fs8 s VAL 118 Ca -0.03 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 60.94 2fs8 s VAL 118 Cb 0.09 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.41 2fs8 s VAL 118 CO 0.82 -0.77 0.29 -1.38 0.00 0.00 0.00 175.10 174.05 2fs8 s HIS 119 N 1.90 0.92 0.86 5.22 -3.43 -1.09 -0.46 115.29 119.22 2fs8 s HIS 119 Ca 0.11 -1.17 -0.11 0.00 -0.80 0.00 0.00 55.06 53.08 2fs8 s HIS 119 Cb -0.17 -0.28 0.11 0.00 -1.43 0.00 0.00 32.58 30.81 2fs8 s HIS 119 CO -0.30 -0.82 1.09 0.95 -2.00 0.00 0.00 174.74 173.67 2fs8 s THR 120 N -3.97 2.82 0.21 -5.38 -4.23 -1.26 -3.10 115.64 100.74 2fs8 s THR 120 Ca 0.33 0.27 0.06 0.00 -1.18 0.00 0.00 61.69 61.17 2fs8 s THR 120 Cb 0.03 -2.69 -0.04 0.00 1.34 0.00 0.00 72.50 71.14 2fs8 s THR 120 CO 0.13 -0.35 0.15 0.54 -0.54 0.00 0.00 174.62 174.55 2fs8 s VAL 121 N -2.88 4.34 0.05 2.29 0.11 0.14 -4.83 120.40 119.63 2fs8 s VAL 121 Ca 0.63 -1.31 -0.17 0.00 -2.93 0.00 0.00 61.98 58.20 2fs8 s VAL 121 Cb -0.18 -3.28 -0.06 0.00 -1.53 0.00 0.00 36.38 31.32 2fs8 s VAL 121 CO 0.57 -0.24 0.50 -0.89 -3.33 0.00 0.00 175.10 171.71 2fs8 s THR 122 N -1.97 4.88 0.31 5.04 2.01 -1.21 -4.62 115.64 120.07 2fs8 s THR 122 Ca 0.32 1.01 -0.21 0.00 0.31 0.00 0.00 61.69 63.12 2fs8 s THR 122 Cb -0.09 -3.80 -0.09 0.00 0.01 0.00 0.00 72.50 68.53 2fs8 s THR 122 CO 0.23 0.53 0.83 -0.76 -0.69 0.00 0.00 174.62 174.76 2fs8 s LEU 123 N -1.19 4.22 0.38 4.42 1.43 -1.26 -1.24 118.68 125.43 2fs8 s LEU 123 Ca 0.28 1.56 -0.23 0.00 -1.03 0.00 0.00 54.13 54.70 2fs8 s LEU 123 Cb -0.18 -3.97 -0.10 0.00 0.03 0.00 0.00 46.19 41.97 2fs8 s LEU 123 CO 0.17 -0.11 0.96 -2.16 0.23 0.00 0.00 176.35 175.44 2fs8 s PRO 124 N -2.40 4.36 0.58 1.29 0.04 -1.26 -4.86 135.00 132.75 2fs8 s PRO 124 Ca 0.50 1.25 -0.20 0.00 0.04 0.00 0.00 61.00 62.60 2fs8 s PRO 124 Cb -0.15 -2.47 -0.04 0.00 0.04 0.00 0.00 34.50 31.89 2fs8 s PRO 124 CO 0.20 0.08 1.25 -2.14 0.04 0.00 0.00 177.00 176.42 2fs8 s PRO 125 N -2.65 3.03 0.47 0.56 0.02 -1.26 -4.84 135.00 130.33 2fs8 s PRO 125 Ca 0.57 1.95 0.25 0.00 0.02 0.00 0.00 61.00 63.79 2fs8 s PRO 125 Cb -0.14 -2.04 1.29 0.00 0.02 0.00 0.00 34.50 33.63 2fs8 s PRO 125 CO 0.19 -1.19 1.83 0.00 -0.33 0.00 0.00 177.00 177.50 2fs8 h ALA 126 N 1.09 2.57 0.00 -1.55 0.00 -1.95 0.13 119.26 119.56 2fs8 h ALA 126 Ca -0.51 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 2fs8 h ALA 126 Cb 1.30 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2fs8 h ALA 126 CO 0.56 -0.89 -0.28 0.66 0.00 0.00 0.00 179.25 179.30 2fs8 h SER 127 N 0.21 0.00 -3.13 0.00 4.64 -1.97 -3.47 113.55 109.83 2fs8 h SER 127 Ca 0.51 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 61.28 2fs8 h SER 127 Cb 1.62 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 63.80 2fs8 h SER 127 CO -0.13 0.05 0.77 1.21 -0.87 0.00 0.00 176.83 177.85 2fs8 n GLU 128 N -3.02 2.45 -3.67 4.77 2.13 0.03 -4.97 120.64 118.37 2fs8 n GLU 128 Ca 0.03 0.87 -0.29 0.00 0.66 0.00 0.00 57.16 58.42 2fs8 n GLU 128 Cb 0.56 -2.60 -0.13 0.00 0.27 0.00 0.00 31.44 29.54 2fs8 n GLU 128 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2fs8 s THR 129 N -0.16 1.10 -0.56 6.31 2.01 -1.26 -4.94 115.64 118.14 2fs8 s THR 129 Ca 0.64 -2.21 -0.27 0.00 0.31 0.00 0.00 61.69 60.16 2fs8 s THR 129 Cb -0.55 -1.78 -0.09 0.00 0.01 0.00 0.00 72.50 70.09 2fs8 s THR 129 CO 0.51 -0.87 2.45 0.49 -0.69 0.00 0.00 174.62 176.50 2fs8 n PHE 130 N 3.85 1.32 -1.65 4.92 3.72 -1.26 -4.86 117.46 123.49 2fs8 n PHE 130 Ca 0.07 0.15 -0.44 0.00 -0.05 0.00 0.00 57.45 57.19 2fs8 n PHE 130 Cb 0.36 -2.60 -0.02 0.00 -0.94 0.00 0.00 39.48 36.28 2fs8 n PHE 130 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2fs8 n PRO 131 N 8.91 1.83 -1.60 -1.08 -0.04 -1.26 -4.84 135.00 136.92 2fs8 n PRO 131 Ca 0.41 0.65 -0.46 0.00 -0.04 0.00 0.00 63.50 64.06 2fs8 n PRO 131 Cb 0.46 -2.18 -0.04 0.00 -0.04 0.00 0.00 33.50 31.70 2fs8 n PRO 131 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2fs8 n PRO 132 N 1.02 1.98 0.00 0.54 -0.04 -1.26 -1.10 135.00 136.14 2fs8 n PRO 132 Ca 0.08 0.63 0.00 0.00 -0.04 0.00 0.00 63.50 64.18 2fs8 n PRO 132 Cb 0.33 -2.89 0.00 0.00 -0.04 0.00 0.00 33.50 30.90 2fs8 n PRO 132 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2fs8 n GLY 133 N 5.39 1.44 3.72 0.55 0.00 -0.30 -4.95 105.19 111.04 2fs8 n GLY 133 Ca 0.29 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 2fs8 n GLY 133 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2fs8 n MET 134 N -0.04 1.77 -2.24 1.61 0.00 -0.26 -4.67 117.12 113.29 2fs8 n MET 134 Ca 0.00 0.64 -0.42 0.00 0.00 0.00 0.00 57.70 57.92 2fs8 n MET 134 Cb 0.00 -2.50 -0.03 0.00 0.00 0.00 0.00 33.22 30.70 2fs8 n MET 134 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 2fs8 s PRO 135 N -2.62 3.31 0.20 2.12 0.02 -1.26 -3.53 135.00 133.24 2fs8 s PRO 135 Ca 0.67 0.86 0.08 0.00 0.02 0.00 0.00 61.00 62.63 2fs8 s PRO 135 Cb -0.45 -4.14 -0.05 0.00 0.02 0.00 0.00 34.50 29.88 2fs8 s PRO 135 CO 0.53 -1.90 -0.15 0.00 -0.33 0.00 0.00 177.00 175.14 2fs8 s TRP 137 N -2.88 1.46 -0.03 0.00 0.52 0.59 -1.32 118.94 117.28 2fs8 s TRP 137 Ca 0.22 -0.32 0.06 0.00 0.02 0.00 0.00 56.10 56.08 2fs8 s TRP 137 Cb -0.01 -0.90 -0.01 0.00 -1.15 0.00 0.00 33.47 31.39 2fs8 s TRP 137 CO 0.07 0.02 -0.21 0.54 0.02 0.00 0.00 176.95 177.40 2fs8 s VAL 138 N -0.61 1.66 0.15 4.03 0.11 -0.93 -0.98 120.40 123.83 2fs8 s VAL 138 Ca 0.05 -0.88 0.07 0.00 -2.93 0.00 0.00 61.98 58.30 2fs8 s VAL 138 Cb -0.07 -1.40 -0.04 0.00 -1.53 0.00 0.00 36.38 33.34 2fs8 s VAL 138 CO 0.01 0.47 -0.16 0.42 -3.33 0.00 0.00 175.10 172.51 2fs8 s THR 139 N -0.29 1.61 0.00 5.04 -4.23 -1.21 -2.24 115.64 114.33 2fs8 s THR 139 Ca 0.03 -1.88 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 2fs8 s THR 139 Cb -0.10 -1.75 0.00 0.00 1.34 0.00 0.00 72.50 71.99 2fs8 s THR 139 CO 0.01 -0.39 0.00 0.61 -0.54 0.00 0.00 174.62 174.31 2fs8 n GLY 140 N 0.30 -0.66 1.10 3.99 0.00 -0.76 -4.50 105.19 104.67 2fs8 n GLY 140 Ca -0.13 -1.27 0.02 0.00 0.00 0.00 0.00 46.02 44.64 2fs8 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2fs8 n TRP 141 N -0.89 1.17 -1.34 1.61 8.01 -1.26 -1.71 117.44 123.02 2fs8 n TRP 141 Ca 0.00 -1.17 -0.30 0.00 -1.31 0.00 0.00 57.50 54.72 2fs8 n TRP 141 Cb 0.00 -0.42 0.22 0.00 -2.01 0.00 0.00 31.31 29.10 2fs8 n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 2fs8 s GLY 142 N -2.05 1.64 0.55 6.99 0.00 -1.25 -4.68 107.32 108.51 2fs8 s GLY 142 Ca 0.44 -1.00 -0.20 0.00 0.00 0.00 0.00 44.72 43.96 2fs8 s GLY 142 CO 0.06 -0.16 1.01 1.22 0.00 0.00 0.00 173.10 175.23 2fs8 n ASP 143 N -4.43 1.09 -0.21 1.64 8.00 0.94 -2.20 116.55 121.36 2fs8 n ASP 143 Ca 0.13 0.89 0.14 0.00 0.71 0.00 0.00 54.79 56.66 2fs8 n ASP 143 Cb 0.59 -1.40 0.62 0.00 -0.02 0.00 0.00 41.12 40.92 2fs8 n ASP 143 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2fs8 n VAL 144 N -1.30 0.00 -3.59 2.53 0.24 -0.84 0.30 118.33 115.66 2fs8 n VAL 144 Ca 0.12 -0.11 0.02 0.00 -2.04 0.00 0.00 64.34 62.32 2fs8 n VAL 144 Cb 0.45 0.06 -0.01 0.00 -1.47 0.00 0.00 33.84 32.87 2fs8 n VAL 144 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2fs8 s ASP 145 N -2.26 -0.02 -0.20 -1.34 -1.08 -1.22 -4.37 116.67 106.18 2fs8 s ASP 145 Ca 0.34 -0.03 -0.40 0.00 -0.52 0.00 0.00 52.55 51.95 2fs8 s ASP 145 Cb 0.21 0.05 -0.16 0.00 -1.46 0.00 0.00 42.92 41.55 2fs8 s ASP 145 CO 0.42 -0.09 1.64 0.59 0.52 0.00 0.00 175.17 178.26 2fs8 n ASN 146 N -0.36 2.14 0.00 -0.34 3.02 -1.26 -0.87 115.26 117.59 2fs8 n ASN 146 Ca -0.06 1.09 0.00 0.00 -0.03 0.00 0.00 54.58 55.58 2fs8 n ASN 146 Cb 0.62 -1.14 0.00 0.00 -0.61 0.00 0.00 39.78 38.65 2fs8 n ASN 146 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2fs8 n ASP 147 N 4.64 -5.56 -3.96 6.41 9.92 -1.26 -4.95 116.55 121.80 2fs8 n ASP 147 Ca 0.25 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 54.20 2fs8 n ASP 147 Cb 0.13 -3.23 -0.15 0.00 -0.64 0.00 0.00 41.12 37.23 2fs8 n ASP 147 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 2fs8 s GLU 149 N -1.81 1.65 0.95 -1.24 -1.05 -0.05 -5.11 118.70 112.04 2fs8 s GLU 149 Ca 0.00 -1.16 -0.12 0.00 -0.15 0.00 0.00 54.97 53.54 2fs8 s GLU 149 Cb 0.00 -2.67 0.08 0.00 -0.44 0.00 0.00 34.13 31.09 2fs8 s GLU 149 CO 0.00 -0.66 0.62 0.54 0.95 0.00 0.00 175.26 176.71 2fs8 n ARG 150 N 4.59 -0.44 0.00 -4.83 5.12 -1.26 -2.00 116.66 117.84 2fs8 n ARG 150 Ca -0.10 -0.08 0.00 0.00 -1.93 0.00 0.00 57.85 55.74 2fs8 n ARG 150 Cb 0.43 -2.01 0.00 0.00 -1.16 0.00 0.00 32.46 29.72 2fs8 n ARG 150 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2fs8 n LEU 151 N -2.27 0.00 -0.72 0.55 7.94 -1.26 -4.40 117.00 116.84 2fs8 n LEU 151 Ca 0.08 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.98 2fs8 n LEU 151 Cb 0.53 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.48 2fs8 n LEU 151 CO 0.50 -0.10 0.00 -0.81 -1.11 0.00 0.00 177.39 175.87 2fs8 n PRO 152 N -0.10 0.00 -3.20 1.96 -0.04 -1.26 -5.00 135.00 127.36 2fs8 n PRO 152 Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 2fs8 n PRO 152 Cb 0.00 -0.41 0.05 0.00 -0.04 0.00 0.00 33.50 33.10 2fs8 n PRO 152 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2fs8 n PHE 153 N 0.16 -2.62 -2.59 0.54 3.72 -1.26 -3.89 117.46 111.51 2fs8 n PHE 153 Ca 0.00 0.94 -0.33 0.00 -0.05 0.00 0.00 57.45 58.01 2fs8 n PHE 153 Cb 0.00 -4.12 -0.04 0.00 -0.94 0.00 0.00 39.48 34.38 2fs8 n PHE 153 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2fs8 s PRO 154 N -3.99 3.95 -0.11 -1.08 0.04 -1.26 -1.46 135.00 131.09 2fs8 s PRO 154 Ca 0.32 1.20 -0.29 0.00 0.04 0.00 0.00 61.00 62.26 2fs8 s PRO 154 Cb -0.04 -2.13 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 2fs8 s PRO 154 CO 0.74 -0.28 1.36 -1.17 0.04 0.00 0.00 177.00 177.69 2fs8 s LEU 155 N -3.52 4.24 0.41 -3.56 2.96 -0.51 -4.78 118.68 113.92 2fs8 s LEU 155 Ca 0.64 1.87 0.06 0.00 -0.22 0.00 0.00 54.13 56.47 2fs8 s LEU 155 Cb -0.13 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.03 2fs8 s LEU 155 CO 0.20 -0.78 0.58 -0.54 -1.32 0.00 0.00 176.35 174.49 2fs8 s LYS 156 N 3.39 2.91 0.10 1.98 1.02 -0.70 -0.55 119.74 127.89 2fs8 s LYS 156 Ca 0.60 -1.00 -0.14 0.00 0.02 0.00 0.00 55.97 55.45 2fs8 s LYS 156 Cb -0.26 -2.71 0.02 0.00 -0.52 0.00 0.00 37.83 34.36 2fs8 s LYS 156 CO 0.20 -0.23 0.33 1.14 -0.92 0.00 0.00 175.35 175.87 2fs8 s GLN 157 N -4.38 0.96 -0.19 1.68 -2.07 -0.18 -1.83 119.66 113.66 2fs8 s GLN 157 Ca 0.51 -0.74 -0.28 0.00 -1.82 0.00 0.00 55.36 53.04 2fs8 s GLN 157 Cb -0.10 0.41 0.08 0.00 -1.09 0.00 0.00 33.01 32.32 2fs8 s GLN 157 CO 0.34 -0.35 0.78 0.54 -1.32 0.00 0.00 175.29 175.27 2fs8 s VAL 158 N -3.60 0.00 -0.36 3.63 0.11 -0.95 -1.33 120.40 117.90 2fs8 s VAL 158 Ca 0.02 0.00 -0.20 0.00 -2.93 0.00 0.00 61.98 58.87 2fs8 s VAL 158 Cb 0.02 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.88 2fs8 s VAL 158 CO -0.10 0.00 0.61 -0.75 -3.33 0.00 0.00 175.10 171.53 2fs8 s LYS 159 N -0.31 3.62 -0.09 1.54 2.20 -1.26 -2.19 119.74 123.25 2fs8 s LYS 159 Ca -0.03 -0.03 0.02 0.00 -0.36 0.00 0.00 55.97 55.56 2fs8 s LYS 159 Cb -0.03 -3.82 -0.02 0.00 -1.51 0.00 0.00 37.83 32.45 2fs8 s LYS 159 CO 0.03 -0.75 -0.15 0.14 -0.36 0.00 0.00 175.35 174.26 2fs8 s VAL 160 N 2.66 2.93 -0.15 4.02 -7.23 -0.43 -4.94 120.40 117.26 2fs8 s VAL 160 Ca 0.23 -0.74 -0.26 0.00 -1.81 0.00 0.00 61.98 59.40 2fs8 s VAL 160 Cb -0.15 -2.18 -0.01 0.00 0.56 0.00 0.00 36.38 34.60 2fs8 s VAL 160 CO 0.15 0.56 0.88 -2.16 -0.31 0.00 0.00 175.10 174.22 2fs8 s PRO 161 N -0.19 4.34 0.54 4.82 0.04 -1.26 -3.35 135.00 139.94 2fs8 s PRO 161 Ca -0.00 1.12 -0.21 0.00 0.04 0.00 0.00 61.00 61.95 2fs8 s PRO 161 Cb -0.13 -3.56 -0.05 0.00 0.04 0.00 0.00 34.50 30.80 2fs8 s PRO 161 CO 0.03 -0.30 1.26 0.42 0.04 0.00 0.00 177.00 178.45 2fs8 s ILE 162 N 2.04 2.52 0.05 0.56 1.01 -1.23 -2.32 121.20 123.83 2fs8 s ILE 162 Ca 0.41 0.37 0.04 0.00 0.00 0.00 0.00 60.65 61.47 2fs8 s ILE 162 Cb -0.17 -3.17 -0.02 0.00 0.01 0.00 0.00 42.46 39.10 2fs8 s ILE 162 CO 0.14 -0.03 -0.13 -0.04 0.00 0.00 0.00 174.94 174.89 2fs8 s MET 163 N -2.98 0.82 0.33 2.79 -1.94 -0.44 -1.15 119.30 116.72 2fs8 s MET 163 Ca 0.71 -0.81 -0.29 0.00 -1.71 0.00 0.00 55.69 53.60 2fs8 s MET 163 Cb -0.34 -0.79 -0.12 0.00 2.01 0.00 0.00 34.83 35.59 2fs8 s MET 163 CO 0.40 0.19 1.50 -1.91 -0.01 0.00 0.00 175.02 175.18 2fs8 n GLU 164 N 1.66 2.55 -0.23 2.03 2.13 -1.26 -4.27 120.64 123.26 2fs8 n GLU 164 Ca -0.20 0.90 0.04 0.00 0.66 0.00 0.00 57.16 58.56 2fs8 n GLU 164 Cb 0.55 -2.63 0.15 0.00 0.27 0.00 0.00 31.44 29.78 2fs8 n GLU 164 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 2fs8 h ASN 165 N 3.74 -0.00 -0.34 4.31 4.21 -1.94 -1.28 115.58 124.29 2fs8 h ASN 165 Ca -0.48 0.13 -0.01 0.00 1.21 0.00 0.00 56.30 57.15 2fs8 h ASN 165 Cb 1.24 0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 38.61 2fs8 h ASN 165 CO 0.71 -0.02 0.17 -0.74 -1.29 0.00 0.00 177.43 176.26 2fs8 h HIS 166 N 0.26 0.48 0.00 1.19 2.76 -1.93 -0.34 115.15 117.58 2fs8 h HIS 166 Ca 0.37 -0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.49 2fs8 h HIS 166 Cb 0.61 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 2fs8 h HIS 166 CO -0.26 0.41 -0.18 0.82 -1.30 0.00 0.00 177.93 177.41 2fs8 h ILE 167 N 0.41 0.80 -0.05 6.26 2.04 -1.75 -0.50 117.51 124.73 2fs8 h ILE 167 Ca 0.12 -0.72 -0.15 0.00 1.00 0.00 0.00 64.86 65.11 2fs8 h ILE 167 Cb 0.10 1.43 0.01 0.00 -0.74 0.00 0.00 36.82 37.62 2fs8 h ILE 167 CO -0.02 0.18 -0.56 0.00 0.00 0.00 0.00 178.15 177.75 2fs8 h ASP 169 N 0.01 0.92 -0.26 0.00 3.58 -0.73 -1.27 116.42 118.67 2fs8 h ASP 169 Ca -0.06 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.37 2fs8 h ASP 169 Cb 1.24 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 42.06 2fs8 h ASP 169 CO 0.11 0.65 0.13 0.00 -2.88 0.00 0.00 179.24 177.24 2fs8 h ALA 170 N 1.33 0.33 -0.73 -0.78 0.00 -1.06 -2.79 119.26 115.57 2fs8 h ALA 170 Ca 0.32 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.23 2fs8 h ALA 170 Cb -0.04 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.58 2fs8 h ALA 170 CO -0.10 -0.11 0.39 0.87 0.00 0.00 0.00 179.25 180.31 2fs8 h LYS 171 N 0.29 0.67 0.00 0.00 1.57 -0.25 -0.70 116.57 118.15 2fs8 h LYS 171 Ca 0.09 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2fs8 h LYS 171 Cb 0.11 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2fs8 h LYS 171 CO -0.01 0.44 0.00 0.66 -0.57 0.00 0.00 179.45 179.97 2fs8 n TYR 172 N -4.80 0.24 0.16 -1.35 4.01 -0.57 -1.95 117.16 112.90 2fs8 n TYR 172 Ca 0.11 0.10 0.11 0.00 -0.16 0.00 0.00 57.90 58.06 2fs8 n TYR 172 Cb 0.23 -0.66 -0.03 0.00 -0.31 0.00 0.00 39.34 38.57 2fs8 n TYR 172 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2fs8 n HIS 173 N -1.73 0.63 -2.07 -0.72 8.25 -0.28 -4.66 115.22 114.64 2fs8 n HIS 173 Ca 0.02 0.18 -0.42 0.00 -0.26 0.00 0.00 57.72 57.24 2fs8 n HIS 173 Cb 0.14 -0.77 -0.03 0.00 1.12 0.00 0.00 29.99 30.45 2fs8 n HIS 173 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2fs8 s LEU 173 N -4.91 4.35 -0.55 2.41 1.43 -0.82 -1.51 118.68 119.07 2fs8 s LEU 173 Ca -0.01 2.33 0.00 0.00 -1.03 0.00 0.00 54.13 55.41 2fs8 s LEU 173 Cb 0.11 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.77 2fs8 s LEU 173 CO 0.82 -0.79 0.00 0.61 0.23 0.00 0.00 176.35 177.22 2fs8 n GLY 173 N 3.78 0.49 3.13 -3.19 0.00 -1.26 -5.02 105.19 103.11 2fs8 n GLY 173 Ca 0.14 -0.73 -0.14 0.00 0.00 0.00 0.00 46.02 45.29 2fs8 n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fs8 s ALA 173 N -2.25 0.88 -0.55 4.61 0.00 -0.57 -5.04 121.76 118.86 2fs8 s ALA 173 Ca 0.00 -0.99 0.24 0.00 0.00 0.00 0.00 51.96 51.21 2fs8 s ALA 173 Cb 0.00 0.02 0.50 0.00 0.00 0.00 0.00 23.12 23.64 2fs8 s ALA 173 CO 0.00 -0.01 1.65 1.88 0.00 0.00 0.00 175.76 179.29 2fs8 h TYR 173 N 4.05 0.00 -2.40 0.00 0.05 -1.95 -3.47 116.97 113.25 2fs8 h TYR 173 Ca -0.37 0.00 -0.59 0.00 0.05 0.00 0.00 58.73 57.82 2fs8 h TYR 173 Cb 1.19 0.00 0.07 0.00 1.01 0.00 0.00 36.73 39.00 2fs8 h TYR 173 CO 0.64 0.00 0.70 2.41 -1.05 0.00 0.00 178.16 180.86 2fs8 n THR 173 N -2.77 0.39 0.00 -2.88 -1.04 -1.26 -5.18 114.28 101.55 2fs8 n THR 173 Ca 0.04 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 2fs8 n THR 173 Cb 0.49 -1.47 0.00 0.00 -1.82 0.00 0.00 70.33 67.54 2fs8 n THR 173 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2fs8 n GLY 173 N 2.84 -3.32 0.00 3.41 0.00 -1.26 -4.94 105.19 101.92 2fs8 n GLY 173 Ca 0.15 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.47 2fs8 n GLY 173 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2fs8 n ASP 173 N 0.00 0.00 -4.59 1.61 8.00 -1.26 -4.79 116.55 115.52 2fs8 n ASP 173 Ca 0.00 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.12 2fs8 n ASP 173 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 2fs8 n ASP 173 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2fs8 s VAL 173 N 0.00 5.30 0.05 2.53 1.01 -1.26 -5.06 120.40 122.98 2fs8 s VAL 173 Ca 0.00 0.19 -0.31 0.00 0.00 0.00 0.00 61.98 61.87 2fs8 s VAL 173 Cb 0.00 -3.54 -0.06 0.00 0.00 0.00 0.00 36.38 32.78 2fs8 s VAL 173 CO 0.00 0.24 1.28 -0.13 0.00 0.00 0.00 175.10 176.49 2fs8 s ARG 174 N 1.78 4.37 -0.16 2.72 1.81 -1.26 -4.91 118.95 123.29 2fs8 s ARG 174 Ca 0.07 1.87 -0.11 0.00 -1.72 0.00 0.00 55.73 55.84 2fs8 s ARG 174 Cb -0.16 -3.38 -0.07 0.00 -0.45 0.00 0.00 34.95 30.89 2fs8 s ARG 174 CO 0.11 -0.37 -0.26 -0.89 -0.68 0.00 0.00 175.30 173.21 2fs8 n ILE 175 N 4.11 1.24 -3.15 1.52 5.41 -1.26 -4.84 119.36 122.39 2fs8 n ILE 175 Ca 0.10 -0.09 -0.42 0.00 1.00 0.00 0.00 62.75 63.34 2fs8 n ILE 175 Cb 0.45 -1.92 -0.07 0.00 -0.71 0.00 0.00 39.64 37.39 2fs8 n ILE 175 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2fs8 s VAL 176 N -2.48 4.89 0.70 1.39 1.01 -1.26 -4.98 120.40 119.66 2fs8 s VAL 176 Ca -0.25 0.24 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 2fs8 s VAL 176 Cb 0.08 -4.12 0.09 0.00 0.00 0.00 0.00 36.38 32.43 2fs8 s VAL 176 CO 0.34 -0.45 0.98 -0.13 0.00 0.00 0.00 175.10 175.85 2fs8 s ARG 177 N 2.67 1.97 0.52 2.72 0.52 -1.26 -4.79 118.95 121.30 2fs8 s ARG 177 Ca 0.22 -0.64 0.27 0.00 -0.52 0.00 0.00 55.73 55.05 2fs8 s ARG 177 Cb -0.15 -2.26 1.41 0.00 0.52 0.00 0.00 34.95 34.48 2fs8 s ARG 177 CO 0.17 -1.30 2.06 -0.44 0.02 0.00 0.00 175.30 175.81 2fs8 h ASP 178 N -0.53 0.00 -0.32 0.23 3.32 -1.97 -2.34 116.42 114.81 2fs8 h ASP 178 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 2fs8 h ASP 178 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 2fs8 h ASP 178 CO 0.50 0.12 0.00 -0.90 -1.72 0.00 0.00 179.24 177.25 2fs8 n ASP 179 N -3.67 2.39 -4.60 6.45 5.75 -1.26 -4.88 116.55 116.72 2fs8 n ASP 179 Ca -0.02 -2.17 -0.27 0.00 -0.01 0.00 0.00 54.79 52.32 2fs8 n ASP 179 Cb 0.24 -0.37 -0.11 0.00 -1.03 0.00 0.00 41.12 39.85 2fs8 n ASP 179 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 2fs8 s MET 180 N -1.65 1.92 0.01 0.11 -1.94 -0.88 -0.71 119.30 116.17 2fs8 s MET 180 Ca 0.24 -2.09 -0.13 0.00 -1.71 0.00 0.00 55.69 52.00 2fs8 s MET 180 Cb 0.15 -1.56 0.02 0.00 2.01 0.00 0.00 34.83 35.45 2fs8 s MET 180 CO 0.12 -0.06 0.28 -0.48 -0.01 0.00 0.00 175.02 174.87 2fs8 s LEU 181 N -3.68 0.98 0.11 -0.03 0.05 0.19 -4.55 118.68 111.75 2fs8 s LEU 181 Ca 0.35 -0.09 0.06 0.00 0.05 0.00 0.00 54.13 54.50 2fs8 s LEU 181 Cb 0.10 1.21 -0.04 0.00 -2.05 0.00 0.00 46.19 45.41 2fs8 s LEU 181 CO 0.18 -0.51 -0.15 0.00 -0.55 0.00 0.00 176.35 175.31 2fs8 s ALA 183 N -1.86 -1.61 0.00 0.00 0.00 -0.52 -1.33 121.76 116.44 2fs8 s ALA 183 Ca 0.07 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.73 2fs8 s ALA 183 Cb -0.06 0.62 0.00 0.00 0.00 0.00 0.00 23.12 23.67 2fs8 s ALA 183 CO 0.03 -0.65 0.00 0.41 0.00 0.00 0.00 175.76 175.56 2fs8 n GLY 184 N 0.01 1.96 0.00 0.00 0.00 -0.98 -1.63 105.19 104.55 2fs8 n GLY 184 Ca -0.18 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.85 2fs8 n GLY 184 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2fs8 n ASN 185 N 0.00 0.00 0.00 1.61 0.23 -0.14 -4.69 115.26 112.28 2fs8 n ASN 185 Ca 0.00 -0.21 0.08 0.00 -0.53 0.00 0.00 54.58 53.92 2fs8 n ASN 185 Cb 0.00 0.00 0.47 0.00 -2.08 0.00 0.00 39.78 38.17 2fs8 n ASN 185 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2fs8 n THR 186 N 0.00 0.00 0.00 5.53 -2.24 -1.26 -3.07 114.28 113.24 2fs8 n THR 186 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2fs8 n THR 186 Cb 0.00 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 2fs8 n THR 186 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2fs8 n ARG 187 N -0.89 3.26 -3.78 -0.78 1.74 -1.26 -4.83 116.66 110.12 2fs8 n ARG 187 Ca 0.12 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.98 2fs8 n ARG 187 Cb 0.05 -0.42 -0.17 0.00 -1.02 0.00 0.00 32.46 30.90 2fs8 n ARG 187 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2fs8 s ARG 188 N -0.65 0.43 0.13 5.56 0.52 -1.18 -3.56 118.95 120.21 2fs8 s ARG 188 Ca 0.00 0.16 -0.26 0.00 -0.52 0.00 0.00 55.73 55.11 2fs8 s ARG 188 Cb 0.00 -0.82 0.07 0.00 0.52 0.00 0.00 34.95 34.73 2fs8 s ARG 188 CO 0.00 -0.28 1.02 0.34 0.02 0.00 0.00 175.30 176.39 2fs8 s ASP 189 N 1.89 -0.14 0.34 0.23 -1.08 -1.02 -0.96 116.67 115.93 2fs8 s ASP 189 Ca 0.03 -0.39 0.05 0.00 -0.52 0.00 0.00 52.55 51.72 2fs8 s ASP 189 Cb -0.12 0.44 -0.01 0.00 -1.46 0.00 0.00 42.92 41.77 2fs8 s ASP 189 CO -0.04 -0.82 0.49 -0.94 0.52 0.00 0.00 175.17 174.38 2fs8 s SER 190 N -2.99 5.99 0.34 -0.34 1.04 -1.26 0.06 113.70 116.53 2fs8 s SER 190 Ca 0.13 -0.07 -0.03 0.00 0.48 0.00 0.00 55.95 56.46 2fs8 s SER 190 Cb -0.01 -1.35 0.00 0.00 0.10 0.00 0.00 66.02 64.76 2fs8 s SER 190 CO 0.02 -0.44 0.46 0.00 0.98 0.00 0.00 173.24 174.26 2fs8 n GLN 192 N -0.55 0.92 0.00 0.00 3.00 -1.26 -0.66 117.38 118.82 2fs8 n GLN 192 Ca 0.01 0.34 0.00 0.00 -0.01 0.00 0.00 57.00 57.34 2fs8 n GLN 192 Cb 0.62 -1.99 0.00 0.00 0.00 0.00 0.00 30.24 28.87 2fs8 n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2fs8 n GLY 193 N 4.25 2.06 0.06 1.08 0.00 -1.26 -0.04 105.19 111.34 2fs8 n GLY 193 Ca 0.28 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.41 2fs8 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2fs8 n ASP 194 N 0.00 0.60 -4.56 1.61 8.00 0.16 -3.84 116.55 118.52 2fs8 n ASP 194 Ca 0.00 0.05 -0.42 0.00 0.71 0.00 0.00 54.79 55.13 2fs8 n ASP 194 Cb 0.00 0.84 0.01 0.00 -0.02 0.00 0.00 41.12 41.95 2fs8 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2fs8 n SER 195 N -2.29 0.61 0.00 -2.24 7.64 -1.26 -0.88 113.62 115.21 2fs8 n SER 195 Ca 0.00 1.00 0.00 0.00 1.01 0.00 0.00 58.87 60.88 2fs8 n SER 195 Cb 0.50 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 2fs8 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2fs8 n GLY 196 N 1.37 3.16 3.63 0.23 0.00 0.47 -0.33 105.19 113.72 2fs8 n GLY 196 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 2fs8 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fs8 s GLY 197 N -1.80 1.58 0.17 -0.02 0.00 -0.05 -3.28 107.32 103.92 2fs8 s GLY 197 Ca 0.00 -0.80 -0.09 0.00 0.00 0.00 0.00 44.72 43.83 2fs8 s GLY 197 CO 0.00 0.01 0.47 2.56 0.00 0.00 0.00 173.10 176.14 2fs8 s PRO 198 N -5.30 3.76 -0.35 2.90 0.04 -1.26 -1.29 135.00 133.50 2fs8 s PRO 198 Ca 0.69 0.18 0.03 0.00 0.04 0.00 0.00 61.00 61.94 2fs8 s PRO 198 Cb -0.12 -2.80 0.10 0.00 0.04 0.00 0.00 34.50 31.73 2fs8 s PRO 198 CO 0.56 0.42 0.08 -1.17 0.04 0.00 0.00 177.00 176.94 2fs8 s LEU 199 N -2.51 4.18 0.04 -3.56 2.96 -0.77 -3.29 118.68 115.73 2fs8 s LEU 199 Ca 0.42 -2.15 0.02 0.00 -0.22 0.00 0.00 54.13 52.19 2fs8 s LEU 199 Cb -0.12 -1.47 -0.04 0.00 0.50 0.00 0.00 46.19 45.06 2fs8 s LEU 199 CO 0.21 -0.37 0.07 0.68 -1.32 0.00 0.00 176.35 175.62 2fs8 s VAL 200 N 0.91 4.56 0.00 1.68 -7.23 -0.15 -0.39 120.40 119.78 2fs8 s VAL 200 Ca 0.12 -0.61 0.05 0.00 -1.81 0.00 0.00 61.98 59.72 2fs8 s VAL 200 Cb -0.19 -3.14 -0.01 0.00 0.56 0.00 0.00 36.38 33.59 2fs8 s VAL 200 CO -0.10 0.24 -0.14 0.00 -0.31 0.00 0.00 175.10 174.78 2fs8 s LYS 202 N -0.53 4.09 -0.17 0.00 2.20 -1.25 -0.78 119.74 123.30 2fs8 s LYS 202 Ca 0.05 0.66 0.01 0.00 -0.36 0.00 0.00 55.97 56.33 2fs8 s LYS 202 Cb -0.06 -3.67 0.03 0.00 -1.51 0.00 0.00 37.83 32.62 2fs8 s LYS 202 CO -0.00 -0.50 -0.15 0.08 -0.36 0.00 0.00 175.35 174.41 2fs8 s VAL 203 N 2.70 1.76 0.00 4.02 1.01 0.91 -4.75 120.40 126.06 2fs8 s VAL 203 Ca 0.30 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.45 2fs8 s VAL 203 Cb -0.15 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.56 2fs8 s VAL 203 CO 0.09 0.42 0.00 -3.20 0.00 0.00 0.00 175.10 172.41 2fs8 n ASN 204 N 4.70 0.00 0.00 3.32 5.15 -1.26 -1.99 115.26 125.17 2fs8 n ASN 204 Ca -0.18 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.80 2fs8 n ASN 204 Cb 0.49 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.74 2fs8 n ASN 204 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2fs8 n GLY 205 N 0.00 0.00 3.39 8.20 0.00 -1.26 -5.16 105.19 110.36 2fs8 n GLY 205 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2fs8 n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fs8 s THR 206 N 0.00 -0.01 -0.16 2.61 2.01 -0.84 -5.15 115.64 114.10 2fs8 s THR 206 Ca 0.00 0.03 -0.29 0.00 0.31 0.00 0.00 61.69 61.74 2fs8 s THR 206 Cb 0.00 -0.71 -0.00 0.00 0.01 0.00 0.00 72.50 71.80 2fs8 s THR 206 CO 0.00 0.01 1.02 0.26 -0.69 0.00 0.00 174.62 175.22 2fs8 s TRP 207 N 0.79 3.43 -0.05 4.92 0.52 -1.26 -0.06 118.94 127.23 2fs8 s TRP 207 Ca -0.04 1.53 0.06 0.00 0.02 0.00 0.00 56.10 57.66 2fs8 s TRP 207 Cb -0.05 -3.22 -0.02 0.00 -1.15 0.00 0.00 33.47 29.03 2fs8 s TRP 207 CO -0.06 -0.34 -0.22 -0.51 0.02 0.00 0.00 176.95 175.84 2fs8 s LEU 208 N 2.55 2.24 -0.45 2.99 1.43 0.04 -3.35 118.68 124.14 2fs8 s LEU 208 Ca 0.46 -0.43 -0.29 0.00 -1.03 0.00 0.00 54.13 52.85 2fs8 s LEU 208 Cb -0.17 -1.42 0.03 0.00 0.03 0.00 0.00 46.19 44.66 2fs8 s LEU 208 CO 0.12 0.27 1.11 -1.58 0.23 0.00 0.00 176.35 176.51 2fs8 s GLN 209 N -0.32 3.78 0.06 1.70 0.74 -0.38 -0.91 119.66 124.32 2fs8 s GLN 209 Ca 0.02 0.63 0.19 0.00 0.05 0.00 0.00 55.36 56.25 2fs8 s GLN 209 Cb -0.13 -3.88 -0.15 0.00 1.10 0.00 0.00 33.01 29.96 2fs8 s GLN 209 CO 0.02 -1.28 0.75 0.00 -0.55 0.00 0.00 175.29 174.23 2fs8 n ALA 210 N 7.61 2.17 -3.03 1.58 0.00 0.47 -4.14 120.51 125.17 2fs8 n ALA 210 Ca 0.12 -0.54 -0.10 0.00 0.00 0.00 0.00 53.44 52.92 2fs8 n ALA 210 Cb 0.49 -0.89 -0.06 0.00 0.00 0.00 0.00 19.45 18.99 2fs8 n ALA 210 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2fs8 s GLY 211 N -4.71 0.72 -0.14 0.00 0.00 -1.01 -2.03 107.32 100.15 2fs8 s GLY 211 Ca -0.04 -1.03 -0.00 0.00 0.00 0.00 0.00 44.72 43.65 2fs8 s GLY 211 CO 0.82 -0.75 -0.10 0.14 0.00 0.00 0.00 173.10 173.21 2fs8 s VAL 212 N -3.97 1.28 -0.35 1.40 1.01 -1.02 -1.85 120.40 116.90 2fs8 s VAL 212 Ca 0.25 -0.53 -0.41 0.00 0.00 0.00 0.00 61.98 61.30 2fs8 s VAL 212 Cb 0.00 -1.29 -0.16 0.00 0.00 0.00 0.00 36.38 34.93 2fs8 s VAL 212 CO 0.10 0.34 1.83 0.52 0.00 0.00 0.00 175.10 177.89 2fs8 n VAL 213 N 4.85 0.20 0.00 2.92 0.31 -0.41 -1.52 118.33 124.68 2fs8 n VAL 213 Ca -0.14 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 2fs8 n VAL 213 Cb 0.49 -1.08 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 2fs8 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2fs8 n SER 214 N 6.05 0.00 -1.03 4.52 2.88 -0.97 -0.39 113.62 124.67 2fs8 n SER 214 Ca 0.33 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.86 2fs8 n SER 214 Cb 0.09 -0.06 -0.00 0.00 -0.75 0.00 0.00 64.21 63.49 2fs8 n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 2fs8 n TRP 215 N -1.64 -0.57 0.00 0.66 4.27 -0.94 -4.88 117.44 114.35 2fs8 n TRP 215 Ca 0.00 -0.04 0.00 0.00 -3.89 0.00 0.00 57.50 53.57 2fs8 n TRP 215 Cb 0.00 0.01 0.00 0.00 -1.36 0.00 0.00 31.31 29.96 2fs8 n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2fs8 n GLY 216 N -0.01 3.33 3.53 -1.67 0.00 -1.26 -1.24 105.19 107.87 2fs8 n GLY 216 Ca -0.00 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 2fs8 n GLY 216 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2fs8 s GLU 217 N -2.08 3.24 1.95 1.61 2.12 -1.26 -4.87 118.70 119.40 2fs8 s GLU 217 Ca 0.00 -0.31 0.00 0.00 0.36 0.00 0.00 54.97 55.02 2fs8 s GLU 217 Cb 0.00 -4.15 0.00 0.00 0.26 0.00 0.00 34.13 30.24 2fs8 s GLU 217 CO 0.00 -1.90 0.00 0.41 -0.54 0.00 0.00 175.26 173.23 2fs8 n GLY 219 N 5.28 -0.92 3.09 -1.50 0.00 -1.26 -4.56 105.19 105.32 2fs8 n GLY 219 Ca 0.02 -1.12 -0.26 0.00 0.00 0.00 0.00 46.02 44.66 2fs8 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fs8 n ALA 221 N 3.54 -0.31 -1.80 0.00 0.00 -1.26 -4.72 120.51 115.96 2fs8 n ALA 221 Ca -0.21 0.29 -0.34 0.00 0.00 0.00 0.00 53.44 53.18 2fs8 n ALA 221 Cb 0.52 -1.86 -0.05 0.00 0.00 0.00 0.00 19.45 18.06 2fs8 n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2fs8 s GLN 221 N -3.67 4.07 -0.01 0.00 -1.52 -1.26 -3.98 119.66 113.28 2fs8 s GLN 221 Ca 0.00 1.30 -0.35 0.00 -1.95 0.00 0.00 55.36 54.36 2fs8 s GLN 221 Cb 0.00 -2.25 -0.13 0.00 -0.22 0.00 0.00 33.01 30.41 2fs8 s GLN 221 CO 0.00 -0.19 1.74 -2.30 -0.25 0.00 0.00 175.29 174.28 2fs8 n PRO 222 N -0.59 2.02 -2.43 2.91 -0.02 -1.26 -1.67 135.00 133.96 2fs8 n PRO 222 Ca 0.07 0.73 -0.20 0.00 -2.02 0.00 0.00 63.50 62.08 2fs8 n PRO 222 Cb 0.52 -2.53 -0.01 0.00 -0.02 0.00 0.00 33.50 31.47 2fs8 n PRO 222 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2fs8 n ASN 223 N 5.23 -5.80 -3.19 2.55 5.03 -1.26 -4.92 115.26 112.90 2fs8 n ASN 223 Ca 0.21 -0.04 -0.23 0.00 0.87 0.00 0.00 54.58 55.39 2fs8 n ASN 223 Cb 0.27 -4.81 -0.07 0.00 -1.02 0.00 0.00 39.78 34.16 2fs8 n ASN 223 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2fs8 n ARG 224 N -3.02 0.59 -1.59 3.52 5.12 -0.67 -3.74 116.66 116.87 2fs8 n ARG 224 Ca -0.23 -3.06 -0.31 0.00 -1.93 0.00 0.00 57.85 52.32 2fs8 n ARG 224 Cb 0.68 -1.35 0.05 0.00 -1.16 0.00 0.00 32.46 30.69 2fs8 n ARG 224 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2fs8 s PRO 225 N -0.68 2.84 0.32 5.56 0.04 -1.26 -4.16 135.00 137.66 2fs8 s PRO 225 Ca 0.34 0.88 -0.29 0.00 0.04 0.00 0.00 61.00 61.97 2fs8 s PRO 225 Cb 0.14 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.59 2fs8 s PRO 225 CO -0.14 -1.15 1.33 0.20 0.04 0.00 0.00 177.00 177.28 2fs8 s GLY 226 N -3.85 2.91 -0.13 0.56 0.00 -0.65 -4.78 107.32 101.38 2fs8 s GLY 226 Ca 0.58 1.28 -0.04 0.00 0.00 0.00 0.00 44.72 46.54 2fs8 s GLY 226 CO 0.55 1.98 0.02 -0.42 0.00 0.00 0.00 173.10 175.23 2fs8 s ILE 227 N -0.98 4.48 0.09 0.90 -1.09 -0.37 -1.44 121.20 122.79 2fs8 s ILE 227 Ca 0.50 -0.16 0.06 0.00 -2.23 0.00 0.00 60.65 58.83 2fs8 s ILE 227 Cb -0.40 -2.95 -0.03 0.00 -1.58 0.00 0.00 42.46 37.49 2fs8 s ILE 227 CO 0.52 0.54 -0.17 -0.31 -1.23 0.00 0.00 174.94 174.30 2fs8 s TYR 228 N -0.26 1.46 0.09 3.97 1.51 0.50 -2.20 117.35 122.41 2fs8 s TYR 228 Ca 0.07 -0.46 -0.31 0.00 -1.01 0.00 0.00 57.07 55.36 2fs8 s TYR 228 Cb -0.12 -0.80 -0.07 0.00 -0.11 0.00 0.00 41.96 40.86 2fs8 s TYR 228 CO 0.02 0.13 1.33 0.99 -1.11 0.00 0.00 175.55 176.91 2fs8 s THR 229 N -1.39 3.57 -0.38 -0.71 2.01 -0.58 0.54 115.64 118.71 2fs8 s THR 229 Ca 0.03 1.11 -0.29 0.00 0.31 0.00 0.00 61.69 62.85 2fs8 s THR 229 Cb -0.09 -3.71 0.01 0.00 0.01 0.00 0.00 72.50 68.72 2fs8 s THR 229 CO 0.03 0.08 1.32 -0.60 -0.69 0.00 0.00 174.62 174.76 2fs8 s ARG 230 N 1.24 3.73 0.11 4.92 3.52 0.11 -2.43 118.95 130.16 2fs8 s ARG 230 Ca 0.63 1.00 -0.21 0.00 -0.13 0.00 0.00 55.73 57.01 2fs8 s ARG 230 Cb -0.34 -3.95 -0.09 0.00 -1.56 0.00 0.00 34.95 29.01 2fs8 s ARG 230 CO 0.29 -1.36 1.74 0.28 -0.81 0.00 0.00 175.30 175.45 2fs8 h VAL 231 N 6.23 0.97 -1.03 7.11 2.07 -1.71 -2.60 116.25 127.29 2fs8 h VAL 231 Ca -0.26 -0.03 0.29 0.00 0.82 0.00 0.00 66.70 67.52 2fs8 h VAL 231 Cb 1.09 0.87 -0.13 0.00 -1.52 0.00 0.00 31.29 31.60 2fs8 h VAL 231 CO 1.07 0.02 0.62 0.71 0.02 0.00 0.00 177.57 180.00 2fs8 h THR 232 N 0.09 0.41 -0.02 2.57 1.35 -1.87 0.18 112.91 115.62 2fs8 h THR 232 Ca 0.05 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 2fs8 h THR 232 Cb 0.03 -0.04 -0.00 0.00 -1.73 0.00 0.00 68.15 66.41 2fs8 h THR 232 CO -0.05 0.08 0.01 0.22 -0.25 0.00 0.00 175.52 175.53 2fs8 h TYR 233 N 0.41 0.00 -0.18 4.73 5.03 -1.84 -2.66 116.97 122.47 2fs8 h TYR 233 Ca 0.69 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.95 2fs8 h TYR 233 Cb 1.55 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 39.81 2fs8 h TYR 233 CO -0.01 0.00 -0.07 0.66 -1.32 0.00 0.00 178.16 177.42 2fs8 n TYR 234 N -4.47 0.60 -0.22 -3.82 4.01 0.61 -4.71 117.16 109.16 2fs8 n TYR 234 Ca -0.03 -1.16 -0.01 0.00 -0.16 0.00 0.00 57.90 56.55 2fs8 n TYR 234 Cb 0.11 -0.30 0.10 0.00 -0.31 0.00 0.00 39.34 38.94 2fs8 n TYR 234 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2fs8 h LEU 235 N 0.99 0.45 -0.85 7.72 4.07 -1.11 -1.48 115.31 125.11 2fs8 h LEU 235 Ca 0.05 0.05 -0.06 0.00 0.08 0.00 0.00 57.88 58.00 2fs8 h LEU 235 Cb 1.32 -0.03 -0.03 0.00 1.08 0.00 0.00 40.66 43.00 2fs8 h LEU 235 CO 0.17 0.28 0.16 0.44 -1.08 0.00 0.00 178.44 178.41 2fs8 h ASP 236 N 0.59 0.96 -0.44 -0.43 3.32 -1.84 -1.02 116.42 117.55 2fs8 h ASP 236 Ca 0.30 -0.19 -0.11 0.00 0.02 0.00 0.00 57.03 57.05 2fs8 h ASP 236 Cb 0.26 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2fs8 h ASP 236 CO -0.22 0.92 -0.14 -0.25 -1.72 0.00 0.00 179.24 177.83 2fs8 h TRP 237 N 0.97 1.03 -0.41 4.55 7.01 -1.77 -2.37 115.95 124.95 2fs8 h TRP 237 Ca 0.21 -0.21 -0.07 0.00 2.11 0.00 0.00 58.89 60.92 2fs8 h TRP 237 Cb 0.34 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.13 2fs8 h TRP 237 CO 0.02 0.99 -0.03 0.82 -2.79 0.00 0.00 178.44 177.45 2fs8 h ILE 238 N 0.82 1.27 0.00 2.65 2.04 -1.05 -3.01 117.51 120.22 2fs8 h ILE 238 Ca 0.13 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 64.91 2fs8 h ILE 238 Cb 0.68 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 2fs8 h ILE 238 CO 0.05 0.36 0.00 1.41 0.00 0.00 0.00 178.15 179.97 2fs8 n HIS 239 N -4.39 0.00 0.45 1.37 8.25 -0.41 -0.27 115.22 120.21 2fs8 n HIS 239 Ca -0.01 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.58 2fs8 n HIS 239 Cb 0.31 -0.47 0.44 0.00 1.12 0.00 0.00 29.99 31.39 2fs8 n HIS 239 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2fs8 h HIS 240 N 0.00 0.00 0.00 4.41 6.17 -1.28 -3.36 115.15 121.09 2fs8 h HIS 240 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 2fs8 h HIS 240 Cb 0.26 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.19 2fs8 h HIS 240 CO 0.00 0.00 -0.88 0.66 0.71 0.00 0.00 177.93 178.42 2fs8 n TYR 241 N -2.47 0.00 -3.33 5.26 4.01 -0.71 -5.02 117.16 114.90 2fs8 n TYR 241 Ca 0.04 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.37 2fs8 n TYR 241 Cb 0.36 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.31 2fs8 n TYR 241 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2fs8 s VAL 242 N -1.89 5.10 0.00 -0.72 1.01 0.62 -5.08 120.40 119.45 2fs8 s VAL 242 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.21 2fs8 s VAL 242 Cb 0.00 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.51 2fs8 s VAL 242 CO 0.00 -0.12 0.00 -2.65 0.00 0.00 0.00 175.10 172.33 2fs8 n PRO 243 N 5.53 0.77 0.00 2.72 -0.02 -1.26 -4.38 135.00 138.36 2fs8 n PRO 243 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 2fs8 n PRO 243 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.97 2fs8 n PRO 243 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11