#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 5.43 0.00 1.39 1.01 0.12 -4.02 120.40 124.33 2fs8 s VAL 17 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.17 2fs8 s VAL 17 Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.96 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 2.75 -1.53 4.97 4.51 0.00 -1.24 -2.50 105.19 112.15 2fs8 n GLY 18 Ca -0.18 -1.29 0.04 0.00 0.00 0.00 0.00 46.02 44.59 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 0.00 -1.62 3.38 -0.02 0.00 -1.26 -4.85 105.19 100.81 2fs8 n GLY 19 Ca 0.00 -1.22 -0.15 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.58 1.68 0.21 1.61 -0.21 -0.35 -4.93 119.66 117.09 2fs8 s GLN 20 Ca 0.00 -1.76 -0.30 0.00 0.02 0.00 0.00 55.36 53.32 2fs8 s GLN 20 Cb 0.00 0.37 -0.10 0.00 1.00 0.00 0.00 33.01 34.29 2fs8 s GLN 20 CO 0.00 -0.65 1.43 -2.00 -2.12 0.00 0.00 175.29 171.95 2fs8 s GLU 21 N -3.50 4.29 0.26 2.91 2.12 -1.26 -0.72 118.70 122.79 2fs8 s GLU 21 Ca 0.35 2.23 -0.27 0.00 0.36 0.00 0.00 54.97 57.64 2fs8 s GLU 21 Cb 0.02 -3.15 -0.09 0.00 0.26 0.00 0.00 34.13 31.17 2fs8 s GLU 21 CO 0.20 -0.42 0.90 0.00 -0.54 0.00 0.00 175.26 175.40 2fs8 s ALA 22 N 0.32 3.31 0.50 6.30 0.00 0.47 -4.85 121.76 127.82 2fs8 s ALA 22 Ca 0.61 0.52 -0.23 0.00 0.00 0.00 0.00 51.96 52.86 2fs8 s ALA 22 Cb -0.40 -3.14 -0.06 0.00 0.00 0.00 0.00 23.12 19.51 2fs8 s ALA 22 CO 0.39 0.22 1.40 -2.14 0.00 0.00 0.00 175.76 175.63 2fs8 s PRO 23 N -1.54 3.38 0.00 0.00 0.02 -1.26 -4.85 135.00 130.75 2fs8 s PRO 23 Ca 0.44 2.35 0.12 0.00 0.02 0.00 0.00 61.00 63.92 2fs8 s PRO 23 Cb -0.22 -2.45 0.63 0.00 0.02 0.00 0.00 34.50 32.48 2fs8 s PRO 23 CO 0.28 -1.03 1.21 2.89 -0.33 0.00 0.00 177.00 180.01 2fs8 n ARG 24 N -0.64 0.26 0.00 5.54 1.85 -1.26 -1.93 116.66 120.47 2fs8 n ARG 24 Ca 0.08 0.10 0.12 0.00 -1.00 0.00 0.00 57.85 57.15 2fs8 n ARG 24 Cb 0.43 -1.50 0.17 0.00 -1.05 0.00 0.00 32.46 30.52 2fs8 n ARG 24 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2fs8 n SER 25 N -1.16 2.09 -4.81 2.89 3.41 -1.26 -4.94 113.62 109.85 2fs8 n SER 25 Ca 0.07 -1.57 -0.27 0.00 -0.26 0.00 0.00 58.87 56.84 2fs8 n SER 25 Cb 0.07 0.19 -0.05 0.00 -0.26 0.00 0.00 64.21 64.16 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 -2.25 2.96 -1.33 4.33 1.02 -0.81 -4.68 119.74 118.98 2fs8 s LYS 26 Ca 0.26 -0.81 -0.05 0.00 0.02 0.00 0.00 55.97 55.38 2fs8 s LYS 26 Cb 0.19 -2.70 0.02 0.00 -0.52 0.00 0.00 37.83 34.82 2fs8 s LYS 26 CO 0.44 0.50 1.02 0.91 -0.92 0.00 0.00 175.35 177.31 2fs8 n TRP 27 N -0.21 -2.43 0.11 3.18 5.03 -1.26 -4.89 117.44 116.97 2fs8 n TRP 27 Ca -0.08 0.95 0.06 0.00 3.03 0.00 0.00 57.50 61.46 2fs8 n TRP 27 Cb 0.54 -4.80 0.34 0.00 -1.03 0.00 0.00 31.31 26.36 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 -4.57 0.08 0.00 -0.99 -0.04 -1.26 -1.91 135.00 126.31 2fs8 n PRO 28 Ca -0.13 0.55 0.11 0.00 -0.04 0.00 0.00 63.50 63.98 2fs8 n PRO 28 Cb 0.61 -1.89 -0.02 0.00 -0.04 0.00 0.00 33.50 32.16 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 -1.94 0.01 -1.74 0.54 2.14 -1.14 -2.59 117.44 112.72 2fs8 n TRP 29 Ca -0.01 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.15 2fs8 n TRP 29 Cb 0.14 -0.10 -0.01 0.00 -0.81 0.00 0.00 31.31 30.53 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 -1.55 2.48 -4.21 -2.67 -0.06 -0.80 -0.71 117.38 109.86 2fs8 n GLN 30 Ca 0.04 0.87 -0.12 0.00 -2.00 0.00 0.00 57.00 55.79 2fs8 n GLN 30 Cb 0.34 -2.56 -0.10 0.00 -4.06 0.00 0.00 30.24 23.86 2fs8 n GLN 30 CO 0.00 0.00 0.00 0.14 -0.20 0.00 0.00 177.06 177.00 2fs8 s VAL 31 N -0.92 0.40 -0.09 1.69 -7.23 -0.68 -2.41 120.40 111.16 2fs8 s VAL 31 Ca 0.56 -1.95 0.04 0.00 -1.81 0.00 0.00 61.98 58.82 2fs8 s VAL 31 Cb -0.52 -2.16 -0.00 0.00 0.56 0.00 0.00 36.38 34.27 2fs8 s VAL 31 CO 0.61 -0.40 -0.24 -0.55 -0.31 0.00 0.00 175.10 174.21 2fs8 s SER 32 N -3.14 3.01 -0.14 4.85 0.15 0.53 -2.11 113.70 116.86 2fs8 s SER 32 Ca 0.26 -0.54 -0.17 0.00 0.70 0.00 0.00 55.95 56.21 2fs8 s SER 32 Cb 0.07 -1.26 -0.04 0.00 -1.71 0.00 0.00 66.02 63.07 2fs8 s SER 32 CO 0.04 0.17 0.42 -0.76 1.20 0.00 0.00 173.24 174.31 2fs8 s LEU 33 N 0.25 4.25 -0.05 3.45 1.43 0.52 -0.92 118.68 127.61 2fs8 s LEU 33 Ca -0.16 0.70 0.06 0.00 -1.03 0.00 0.00 54.13 53.70 2fs8 s LEU 33 Cb -0.17 -2.58 -0.02 0.00 0.03 0.00 0.00 46.19 43.45 2fs8 s LEU 33 CO 0.08 0.02 -0.23 -0.13 0.23 0.00 0.00 176.35 176.32 2fs8 s ARG 34 N 0.64 2.52 -0.04 1.70 1.81 0.34 -1.34 118.95 124.59 2fs8 s ARG 34 Ca 0.23 -0.86 0.03 0.00 -1.72 0.00 0.00 55.73 53.41 2fs8 s ARG 34 Cb -0.14 -2.21 -0.03 0.00 -0.45 0.00 0.00 34.95 32.12 2fs8 s ARG 34 CO 0.08 0.44 -0.12 0.54 -0.68 0.00 0.00 175.30 175.57 2fs8 s VAL 35 N -0.31 3.25 -0.03 3.52 0.11 -0.03 -0.88 120.40 126.03 2fs8 s VAL 35 Ca 0.01 -0.73 -0.30 0.00 -2.93 0.00 0.00 61.98 58.03 2fs8 s VAL 35 Cb -0.13 -2.32 -0.06 0.00 -1.53 0.00 0.00 36.38 32.35 2fs8 s VAL 35 CO 0.02 0.54 1.56 -2.28 -3.33 0.00 0.00 175.10 171.61 2fs8 s HIS 36 N -0.81 2.34 0.00 1.54 2.46 -0.29 -2.11 115.29 118.41 2fs8 s HIS 36 Ca 0.13 0.44 0.00 0.00 0.47 0.00 0.00 55.06 56.10 2fs8 s HIS 36 Cb -0.11 -3.82 0.00 0.00 -0.13 0.00 0.00 32.58 28.52 2fs8 s HIS 36 CO 0.02 -3.32 0.00 0.41 -2.47 0.00 0.00 174.74 169.38 2fs8 n GLY 37 N 3.94 4.33 0.31 1.59 0.00 -1.26 -4.95 105.19 109.14 2fs8 n GLY 37 Ca 0.16 -0.43 0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.24 1.61 0.11 -2.04 -3.43 132.00 125.02 2fs8 h PRO 37 Ca 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 2fs8 h PRO 37 Cb 0.00 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 30.98 2fs8 h PRO 37 CO 0.00 0.00 -0.02 1.52 -0.21 0.00 0.00 178.00 179.29 2fs8 s TYR 37 N -4.98 -0.28 -0.77 0.65 1.13 -1.26 -5.08 117.35 106.75 2fs8 s TYR 37 Ca -0.05 0.05 -0.25 0.00 -1.41 0.00 0.00 57.07 55.40 2fs8 s TYR 37 Cb 0.17 0.31 -0.05 0.00 -1.10 0.00 0.00 41.96 41.29 2fs8 s TYR 37 CO 0.67 -0.71 2.02 -1.58 -2.51 0.00 0.00 175.55 173.44 2fs8 s TRP 38 N -3.54 1.61 0.07 -3.49 0.52 -1.26 -4.73 118.94 108.13 2fs8 s TRP 38 Ca 0.01 0.94 -0.20 0.00 0.02 0.00 0.00 56.10 56.87 2fs8 s TRP 38 Cb 0.01 -3.94 -0.07 0.00 -1.15 0.00 0.00 33.47 28.33 2fs8 s TRP 38 CO -0.10 -1.94 0.58 1.41 0.02 0.00 0.00 176.95 176.92 2fs8 s MET 39 N 7.38 4.23 -0.01 4.98 1.75 -0.90 -4.75 119.30 131.98 2fs8 s MET 39 Ca 0.74 0.77 -0.30 0.00 -1.25 0.00 0.00 55.69 55.65 2fs8 s MET 39 Cb -0.10 -3.25 -0.05 0.00 2.84 0.00 0.00 34.83 34.27 2fs8 s MET 39 CO 0.09 0.62 1.40 -1.58 -0.65 0.00 0.00 175.02 174.89 2fs8 s HIS 40 N -1.05 2.83 -0.00 4.11 2.46 -1.26 -0.85 115.29 121.53 2fs8 s HIS 40 Ca 0.30 0.82 0.00 0.00 0.47 0.00 0.00 55.06 56.64 2fs8 s HIS 40 Cb -0.20 -3.66 -0.00 0.00 -0.13 0.00 0.00 32.58 28.59 2fs8 s HIS 40 CO 0.19 -2.43 0.00 1.97 -2.47 0.00 0.00 174.74 172.01 2fs8 n PHE 41 N 5.48 0.00 -3.61 3.88 -1.74 -0.45 -4.97 117.46 116.06 2fs8 n PHE 41 Ca 0.13 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.93 2fs8 n PHE 41 Cb 0.44 -0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.42 2fs8 n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2fs8 s GLY 43 N -2.79 1.74 0.11 0.00 0.00 -0.17 -0.36 107.32 105.86 2fs8 s GLY 43 Ca 0.06 -1.96 -0.25 0.00 0.00 0.00 0.00 44.72 42.57 2fs8 s GLY 43 CO -0.04 -1.41 1.13 -0.32 0.00 0.00 0.00 173.10 172.45 2fs8 s GLY 44 N -4.74 0.01 -0.01 0.20 0.00 -0.90 -3.81 107.32 98.08 2fs8 s GLY 44 Ca 0.65 -0.17 -0.02 0.00 0.00 0.00 0.00 44.72 45.19 2fs8 s GLY 44 CO 0.42 3.30 0.03 -1.35 0.00 0.00 0.00 173.10 175.51 2fs8 s SER 45 N -3.51 0.03 -0.50 1.64 1.04 -0.62 -1.68 113.70 110.10 2fs8 s SER 45 Ca 0.24 -0.08 -0.22 0.00 0.48 0.00 0.00 55.95 56.37 2fs8 s SER 45 Cb -0.02 0.10 0.04 0.00 0.10 0.00 0.00 66.02 66.25 2fs8 s SER 45 CO 0.03 -0.12 0.75 -0.22 0.98 0.00 0.00 173.24 174.66 2fs8 s LEU 46 N -0.46 4.50 0.00 2.42 2.96 0.12 -0.59 118.68 127.62 2fs8 s LEU 46 Ca -0.05 -0.50 0.19 0.00 -0.22 0.00 0.00 54.13 53.55 2fs8 s LEU 46 Cb -0.03 -2.70 -0.20 0.00 0.50 0.00 0.00 46.19 43.76 2fs8 s LEU 46 CO -0.00 -0.97 0.84 2.30 -1.32 0.00 0.00 176.35 177.20 2fs8 n ILE 47 N 5.92 0.00 -3.62 6.68 -5.35 -0.89 -0.96 119.36 121.14 2fs8 n ILE 47 Ca -0.02 -0.05 -0.15 0.00 -0.27 0.00 0.00 62.75 62.26 2fs8 n ILE 47 Cb 0.47 1.01 -0.07 0.00 -1.74 0.00 0.00 39.64 39.31 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 -2.81 -0.59 0.57 4.28 5.04 -1.18 -4.65 115.29 115.95 2fs8 s HIS 48 Ca 0.08 1.22 0.46 0.00 -1.54 0.00 0.00 55.06 55.27 2fs8 s HIS 48 Cb 0.15 0.28 1.58 0.00 0.04 0.00 0.00 32.58 34.63 2fs8 s HIS 48 CO 0.78 -0.45 1.51 -2.30 -2.34 0.00 0.00 174.74 171.94 2fs8 n PRO 49 N 1.75 0.00 -0.04 2.88 -0.02 -1.26 -0.37 135.00 137.94 2fs8 n PRO 49 Ca -0.17 1.07 0.03 0.00 -2.02 0.00 0.00 63.50 62.41 2fs8 n PRO 49 Cb 0.56 -2.52 0.04 0.00 -0.02 0.00 0.00 33.50 31.56 2fs8 n PRO 49 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2fs8 n GLN 50 N -3.79 2.06 -4.19 -0.52 7.27 -1.26 -0.73 117.38 116.22 2fs8 n GLN 50 Ca 0.41 -1.66 -0.16 0.00 0.07 0.00 0.00 57.00 55.65 2fs8 n GLN 50 Cb 1.93 -1.06 -0.14 0.00 2.41 0.00 0.00 30.24 33.38 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 -1.36 0.53 -0.13 3.69 0.52 0.50 -1.11 118.94 121.59 2fs8 s TRP 51 Ca 0.09 -0.11 0.02 0.00 0.02 0.00 0.00 56.10 56.11 2fs8 s TRP 51 Cb 0.08 -0.34 -0.00 0.00 -1.15 0.00 0.00 33.47 32.05 2fs8 s TRP 51 CO 0.01 -0.01 -0.19 0.08 0.02 0.00 0.00 176.95 176.86 2fs8 s VAL 52 N -0.18 2.43 -0.09 4.03 1.01 0.70 -2.09 120.40 126.21 2fs8 s VAL 52 Ca 0.02 -0.87 -0.14 0.00 0.00 0.00 0.00 61.98 60.99 2fs8 s VAL 52 Cb -0.03 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.32 2fs8 s VAL 52 CO -0.00 0.54 0.34 -0.22 0.00 0.00 0.00 175.10 175.76 2fs8 s LEU 53 N 0.59 4.36 0.00 3.92 2.96 0.24 0.36 118.68 131.11 2fs8 s LEU 53 Ca -0.11 0.72 -0.03 0.00 -0.22 0.00 0.00 54.13 54.50 2fs8 s LEU 53 Cb -0.16 -2.46 0.01 0.00 0.50 0.00 0.00 46.19 44.08 2fs8 s LEU 53 CO 0.03 0.21 0.31 1.07 -1.32 0.00 0.00 176.35 176.65 2fs8 n THR 54 N 2.71 0.00 -3.20 3.68 5.66 -0.89 -1.59 114.28 120.64 2fs8 n THR 54 Ca -0.13 -0.81 -0.39 0.00 -3.05 0.00 0.00 64.05 59.68 2fs8 n THR 54 Cb 0.52 0.56 -0.05 0.00 -1.55 0.00 0.00 70.33 69.81 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 -2.00 3.42 0.28 1.79 0.00 -1.26 -0.60 121.76 123.39 2fs8 s ALA 55 Ca 0.13 -0.06 0.02 0.00 0.00 0.00 0.00 51.96 52.05 2fs8 s ALA 55 Cb -0.01 -2.77 0.63 0.00 0.00 0.00 0.00 23.12 20.96 2fs8 s ALA 55 CO 0.09 -0.04 1.76 0.00 0.00 0.00 0.00 175.76 177.57 2fs8 h ALA 56 N 6.74 1.43 0.00 0.00 0.00 -1.69 -0.80 119.26 124.94 2fs8 h ALA 56 Ca -0.41 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2fs8 h ALA 56 Cb 1.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2fs8 h ALA 56 CO 0.75 -0.10 0.00 -2.39 0.00 0.00 0.00 179.25 177.51 2fs8 n HIS 57 N -4.85 0.40 0.18 0.00 1.44 -1.26 -0.26 115.22 110.87 2fs8 n HIS 57 Ca 0.20 0.18 0.06 0.00 -2.01 0.00 0.00 57.72 56.15 2fs8 n HIS 57 Cb 0.51 -0.79 0.20 0.00 0.12 0.00 0.00 29.99 30.03 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 -3.28 0.60 -3.33 0.00 0.24 -0.46 -5.01 118.33 107.09 2fs8 n VAL 59 Ca 0.01 -0.75 -0.04 0.00 -2.04 0.00 0.00 64.34 61.53 2fs8 n VAL 59 Cb 0.60 0.28 0.01 0.00 -1.47 0.00 0.00 33.84 33.25 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 -0.44 1.66 0.17 7.63 0.00 0.64 -4.63 105.19 110.22 2fs8 n GLY 60 Ca 0.05 -1.12 -0.01 0.00 0.00 0.00 0.00 46.02 44.94 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 0.08 -7.08 1.61 0.13 -1.81 -3.40 132.00 121.53 2fs8 h PRO 60 Ca -0.13 -0.04 -0.54 0.00 -0.87 0.00 0.00 66.00 64.42 2fs8 h PRO 60 Cb 0.48 0.00 0.12 0.00 0.13 0.00 0.00 31.00 31.73 2fs8 h PRO 60 CO 0.16 0.55 0.51 -0.51 -0.23 0.00 0.00 178.00 178.49 2fs8 s ASP 60 N -6.89 5.22 0.50 1.44 1.01 -1.26 -4.95 116.67 111.75 2fs8 s ASP 60 Ca -0.03 2.51 -0.22 0.00 0.71 0.00 0.00 52.55 55.52 2fs8 s ASP 60 Cb 0.13 -2.61 -0.06 0.00 1.01 0.00 0.00 42.92 41.39 2fs8 s ASP 60 CO 0.76 -1.58 1.28 -0.69 0.21 0.00 0.00 175.17 175.15 2fs8 s VAL 60 N -1.48 2.50 0.23 -1.27 1.01 -1.26 -5.01 120.40 115.11 2fs8 s VAL 60 Ca 0.75 0.38 0.11 0.00 0.00 0.00 0.00 61.98 63.22 2fs8 s VAL 60 Cb -0.34 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 2fs8 s VAL 60 CO 0.38 0.00 -0.19 -0.54 0.00 0.00 0.00 175.10 174.75 2fs8 s LYS 60 N -2.78 1.71 -0.29 2.72 -0.14 -1.26 -5.07 119.74 114.62 2fs8 s LYS 60 Ca 0.67 -1.57 -0.21 0.00 -1.36 0.00 0.00 55.97 53.50 2fs8 s LYS 60 Cb -0.36 -1.89 -0.01 0.00 -1.68 0.00 0.00 37.83 33.90 2fs8 s LYS 60 CO 0.43 0.38 0.69 0.34 -0.76 0.00 0.00 175.35 176.43 2fs8 s ASP 60 N -3.06 6.58 0.30 2.83 3.68 -1.26 -4.94 116.67 120.79 2fs8 s ASP 60 Ca 0.25 0.57 0.00 0.00 2.13 0.00 0.00 52.55 55.51 2fs8 s ASP 60 Cb -0.07 -2.36 0.53 0.00 -1.45 0.00 0.00 42.92 39.57 2fs8 s ASP 60 CO 0.13 -0.50 1.92 -0.07 0.13 0.00 0.00 175.17 176.78 2fs8 h LEU 61 N 9.21 0.90 -1.98 -1.34 4.07 -1.95 -2.51 115.31 121.71 2fs8 h LEU 61 Ca -0.26 0.00 0.26 0.00 0.08 0.00 0.00 57.88 57.97 2fs8 h LEU 61 Cb 1.11 -0.19 -0.04 0.00 1.08 0.00 0.00 40.66 42.62 2fs8 h LEU 61 CO 0.83 0.59 0.68 0.00 -1.08 0.00 0.00 178.44 179.46 2fs8 h ALA 62 N 1.51 2.84 -0.57 1.53 0.00 -1.92 0.77 119.26 123.42 2fs8 h ALA 62 Ca 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2fs8 h ALA 62 Cb 0.15 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2fs8 h ALA 62 CO -0.13 -1.15 0.00 0.00 0.00 0.00 0.00 179.25 177.97 2fs8 n ALA 63 N -2.68 2.41 -2.34 0.00 0.00 -0.95 -4.92 120.51 112.03 2fs8 n ALA 63 Ca 0.19 -1.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.33 2fs8 n ALA 63 Cb 1.00 -0.95 -0.15 0.00 0.00 0.00 0.00 19.45 19.34 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 -1.01 2.11 0.04 0.00 2.96 0.26 -1.14 118.68 121.90 2fs8 s LEU 64 Ca 0.38 -0.53 -0.07 0.00 -0.22 0.00 0.00 54.13 53.69 2fs8 s LEU 64 Cb 0.20 -1.30 -0.01 0.00 0.50 0.00 0.00 46.19 45.59 2fs8 s LEU 64 CO 0.26 0.28 0.14 -0.13 -1.32 0.00 0.00 176.35 175.58 2fs8 s ARG 65 N -0.93 0.64 -0.08 1.98 1.81 -0.06 -4.19 118.95 118.13 2fs8 s ARG 65 Ca 0.11 -0.72 0.04 0.00 -1.72 0.00 0.00 55.73 53.44 2fs8 s ARG 65 Cb -0.10 0.26 -0.01 0.00 -0.45 0.00 0.00 34.95 34.64 2fs8 s ARG 65 CO 0.01 -0.17 -0.19 0.08 -0.68 0.00 0.00 175.30 174.34 2fs8 s VAL 66 N -2.65 2.54 -0.17 3.52 1.01 -0.12 -0.50 120.40 124.02 2fs8 s VAL 66 Ca -0.04 -0.88 -0.00 0.00 0.00 0.00 0.00 61.98 61.05 2fs8 s VAL 66 Cb -0.01 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.39 2fs8 s VAL 66 CO -0.05 0.56 -0.15 -1.58 0.00 0.00 0.00 175.10 173.89 2fs8 s GLN 67 N -0.09 3.20 0.96 2.72 2.00 -0.10 -0.87 119.66 127.47 2fs8 s GLN 67 Ca -0.04 -0.75 -0.15 0.00 -2.00 0.00 0.00 55.36 52.42 2fs8 s GLN 67 Cb -0.14 -2.67 0.18 0.00 0.80 0.00 0.00 33.01 31.18 2fs8 s GLN 67 CO 0.04 -0.05 1.24 -0.51 -0.50 0.00 0.00 175.29 175.51 2fs8 s LEU 68 N 0.99 2.29 -0.32 3.68 1.43 -1.26 -0.34 118.68 125.15 2fs8 s LEU 68 Ca -0.02 0.51 -0.29 0.00 -1.03 0.00 0.00 54.13 53.31 2fs8 s LEU 68 Cb -0.15 -2.64 -0.12 0.00 0.03 0.00 0.00 46.19 43.31 2fs8 s LEU 68 CO -0.03 -2.74 1.30 -1.14 0.23 0.00 0.00 176.35 173.97 2fs8 n ARG 69 N -3.82 0.00 -4.70 1.70 0.00 -1.01 -4.73 116.66 104.10 2fs8 n ARG 69 Ca 0.12 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.73 2fs8 n ARG 69 Cb 0.60 -0.97 -0.16 0.00 0.00 0.00 0.00 32.46 31.93 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 3.43 1.60 0.07 -0.14 2.02 -1.26 -5.04 118.70 119.39 2fs8 s GLU 70 Ca 0.75 -0.51 -0.17 0.00 0.02 0.00 0.00 54.97 55.06 2fs8 s GLU 70 Cb -0.97 -1.39 -0.11 0.00 0.10 0.00 0.00 34.13 31.76 2fs8 s GLU 70 CO 0.45 0.18 1.38 0.37 0.02 0.00 0.00 175.26 177.65 2fs8 h GLN 71 N 6.41 0.57 -4.56 1.61 5.75 -1.93 -3.43 115.11 119.54 2fs8 h GLN 71 Ca -0.32 -0.32 -0.59 0.00 -0.15 0.00 0.00 58.65 57.27 2fs8 h GLN 71 Cb 1.18 0.02 -0.36 0.00 1.07 0.00 0.00 27.48 29.38 2fs8 h GLN 71 CO 0.48 0.92 -0.82 -1.01 -2.65 0.00 0.00 178.83 175.74 2fs8 s HIS 72 N -4.26 2.03 0.55 3.99 3.76 -1.26 -1.07 115.29 119.03 2fs8 s HIS 72 Ca -0.13 -1.14 -0.19 0.00 -0.15 0.00 0.00 55.06 53.45 2fs8 s HIS 72 Cb 0.07 -1.52 -0.08 0.00 1.11 0.00 0.00 32.58 32.17 2fs8 s HIS 72 CO 0.80 -0.64 0.78 1.28 -0.85 0.00 0.00 174.74 176.12 2fs8 n LEU 73 N 4.81 2.22 0.00 0.89 4.77 -0.18 -2.70 117.00 126.81 2fs8 n LEU 73 Ca -0.16 0.82 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 2fs8 n LEU 73 Cb 0.50 -1.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 2fs8 n LEU 73 CO 0.20 -2.31 0.00 -1.22 -1.33 0.00 0.00 177.39 172.73 2fs8 n TYR 74 N -1.48 0.00 -0.03 -1.77 4.01 -1.26 -4.81 117.16 111.82 2fs8 n TYR 74 Ca 0.12 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.69 2fs8 n TYR 74 Cb 0.46 -0.24 -0.07 0.00 -0.31 0.00 0.00 39.34 39.18 2fs8 n TYR 74 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 2fs8 h TYR 75 N 0.00 1.06 -1.23 -0.72 0.05 -1.88 -3.35 116.97 110.90 2fs8 h TYR 75 Ca 0.00 -0.46 -0.53 0.00 0.05 0.00 0.00 58.73 57.80 2fs8 h TYR 75 Cb 0.00 -0.17 -0.42 0.00 1.01 0.00 0.00 36.73 37.15 2fs8 h TYR 75 CO 0.00 1.29 -0.84 1.04 -1.05 0.00 0.00 178.16 178.60 2fs8 n GLN 79 N -3.97 3.03 -1.71 4.88 1.13 -1.26 -5.08 117.38 114.41 2fs8 n GLN 79 Ca -0.07 -4.20 -0.43 0.00 -1.94 0.00 0.00 57.00 50.36 2fs8 n GLN 79 Cb 0.72 -2.07 -0.02 0.00 0.11 0.00 0.00 30.24 28.98 2fs8 n GLN 79 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2fs8 n ASP 80 N -0.47 3.34 -3.18 1.08 9.92 -1.26 -4.97 116.55 121.02 2fs8 n ASP 80 Ca 0.34 1.14 -0.21 0.00 -0.53 0.00 0.00 54.79 55.53 2fs8 n ASP 80 Cb 0.75 -1.51 -0.06 0.00 -0.64 0.00 0.00 41.12 39.66 2fs8 n ASP 80 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2fs8 n GLN 81 N 2.14 0.44 -2.03 -1.24 6.02 -1.26 -5.13 117.38 116.31 2fs8 n GLN 81 Ca 0.10 -2.88 -0.42 0.00 -0.01 0.00 0.00 57.00 53.79 2fs8 n GLN 81 Cb 0.34 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 30.08 2fs8 n GLN 81 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2fs8 s LEU 82 N -0.23 4.38 -0.14 1.08 1.43 -1.26 -4.67 118.68 119.27 2fs8 s LEU 82 Ca 0.33 2.58 -0.03 0.00 -1.03 0.00 0.00 54.13 55.98 2fs8 s LEU 82 Cb 0.09 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.67 2fs8 s LEU 82 CO -0.16 -0.72 -0.06 -0.76 0.23 0.00 0.00 176.35 174.89 2fs8 s LEU 83 N 0.37 3.16 0.85 1.79 1.43 -0.05 -4.91 118.68 121.31 2fs8 s LEU 83 Ca 0.63 -0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 53.48 2fs8 s LEU 83 Cb -0.41 -1.74 0.10 0.00 0.03 0.00 0.00 46.19 44.17 2fs8 s LEU 83 CO 0.37 0.19 1.10 -2.16 0.23 0.00 0.00 176.35 176.08 2fs8 s PRO 84 N 0.21 1.60 -0.08 1.29 0.04 -1.26 -0.94 135.00 135.86 2fs8 s PRO 84 Ca -0.03 1.14 0.04 0.00 0.04 0.00 0.00 61.00 62.19 2fs8 s PRO 84 Cb -0.14 -1.82 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 2fs8 s PRO 84 CO 0.03 -2.09 -0.20 0.08 0.04 0.00 0.00 177.00 174.86 2fs8 s VAL 85 N -2.84 2.51 -0.11 -0.36 1.01 -1.26 -3.01 120.40 116.34 2fs8 s VAL 85 Ca 0.63 -0.89 0.15 0.00 0.00 0.00 0.00 61.98 61.87 2fs8 s VAL 85 Cb -0.19 -1.97 -0.24 0.00 0.00 0.00 0.00 36.38 33.98 2fs8 s VAL 85 CO 0.57 0.56 0.41 -1.54 0.00 0.00 0.00 175.10 175.10 2fs8 n SER 86 N 3.05 0.49 -3.77 3.32 3.41 0.09 -4.84 113.62 115.37 2fs8 n SER 86 Ca -0.18 0.23 -0.13 0.00 -0.26 0.00 0.00 58.87 58.53 2fs8 n SER 86 Cb 0.52 0.43 -0.10 0.00 -0.26 0.00 0.00 64.21 64.81 2fs8 n SER 86 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2fs8 s ARG 87 N -2.58 0.54 -0.23 4.33 3.52 -1.16 -5.01 118.95 118.36 2fs8 s ARG 87 Ca -0.07 0.05 0.02 0.00 -0.13 0.00 0.00 55.73 55.59 2fs8 s ARG 87 Cb 0.07 0.24 0.05 0.00 -1.56 0.00 0.00 34.95 33.76 2fs8 s ARG 87 CO 0.83 -0.12 -0.11 0.42 -0.81 0.00 0.00 175.30 175.51 2fs8 s ILE 88 N -0.73 1.85 -0.38 4.11 1.01 -1.26 -1.68 121.20 124.12 2fs8 s ILE 88 Ca -0.08 -1.27 -0.06 0.00 0.00 0.00 0.00 60.65 59.24 2fs8 s ILE 88 Cb -0.04 -1.95 0.08 0.00 0.01 0.00 0.00 42.46 40.55 2fs8 s ILE 88 CO 0.03 0.08 0.17 -0.63 0.00 0.00 0.00 174.94 174.59 2fs8 s ILE 89 N 1.28 3.68 -0.20 2.92 1.01 -0.31 -5.00 121.20 124.59 2fs8 s ILE 89 Ca -0.04 -1.53 -0.10 0.00 0.00 0.00 0.00 60.65 58.98 2fs8 s ILE 89 Cb -0.18 -3.27 -0.05 0.00 0.01 0.00 0.00 42.46 38.97 2fs8 s ILE 89 CO -0.07 -0.43 0.14 -0.69 0.00 0.00 0.00 174.94 173.89 2fs8 s VAL 90 N 1.31 5.41 0.06 2.92 1.01 -1.26 -0.33 120.40 129.53 2fs8 s VAL 90 Ca 0.02 0.21 -0.36 0.00 0.00 0.00 0.00 61.98 61.85 2fs8 s VAL 90 Cb -0.22 -3.48 -0.15 0.00 0.00 0.00 0.00 36.38 32.53 2fs8 s VAL 90 CO -0.00 0.44 1.50 1.57 0.00 0.00 0.00 175.10 178.62 2fs8 n HIS 91 N 3.47 1.89 0.25 5.22 -0.00 -1.08 -4.83 115.22 120.13 2fs8 n HIS 91 Ca -0.16 0.45 0.15 0.00 0.46 0.00 0.00 57.72 58.62 2fs8 n HIS 91 Cb 0.52 -2.44 0.79 0.00 -0.12 0.00 0.00 29.99 28.74 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 5.65 0.00 -0.06 1.57 0.13 -1.93 -2.30 132.00 135.06 2fs8 h PRO 92 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2fs8 h PRO 92 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2fs8 h PRO 92 CO 0.85 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.66 2fs8 n GLN 93 N -2.57 1.86 -3.03 0.86 6.02 -1.26 -4.91 117.38 114.35 2fs8 n GLN 93 Ca -0.02 -1.26 -0.40 0.00 -0.01 0.00 0.00 57.00 55.32 2fs8 n GLN 93 Cb 0.08 -1.46 -0.05 0.00 1.02 0.00 0.00 30.24 29.82 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 -1.94 3.75 0.00 1.08 5.36 -0.87 -4.79 117.98 120.58 2fs8 s PHE 94 Ca 0.35 1.44 0.00 0.00 -0.96 0.00 0.00 56.93 57.76 2fs8 s PHE 94 Cb 0.20 -2.77 0.00 0.00 -0.34 0.00 0.00 43.02 40.12 2fs8 s PHE 94 CO 0.31 0.33 0.00 0.98 -1.46 0.00 0.00 175.22 175.39 2fs8 n TYR 95 N 2.58 0.00 -3.80 10.12 9.36 -1.26 -4.89 117.16 129.27 2fs8 n TYR 95 Ca -0.04 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.07 2fs8 n TYR 95 Cb 0.50 0.15 -0.08 0.00 -0.63 0.00 0.00 39.34 39.28 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 -1.33 0.09 0.34 2.97 -4.23 -1.26 -4.53 115.64 107.68 2fs8 s THR 96 Ca 0.00 -0.71 0.04 0.00 -1.18 0.00 0.00 61.69 59.83 2fs8 s THR 96 Cb 0.00 -0.82 0.29 0.00 1.34 0.00 0.00 72.50 73.31 2fs8 s THR 96 CO 0.00 -0.39 1.94 0.00 -0.54 0.00 0.00 174.62 175.62 2fs8 h ALA 97 N 3.52 1.62 -0.07 3.99 0.00 -1.98 -2.23 119.26 124.11 2fs8 h ALA 97 Ca -0.31 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.44 2fs8 h ALA 97 Cb 1.19 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2fs8 h ALA 97 CO 0.45 0.25 -0.57 1.96 0.00 0.00 0.00 179.25 181.34 2fs8 h GLN 98 N 0.87 0.24 -0.29 0.00 7.50 -1.96 -3.04 115.11 118.43 2fs8 h GLN 98 Ca 0.35 -0.15 -0.17 0.00 0.50 0.00 0.00 58.65 59.17 2fs8 h GLN 98 Cb 0.24 0.02 -0.00 0.00 0.05 0.00 0.00 27.48 27.79 2fs8 h GLN 98 CO -0.12 0.74 -0.50 0.82 -1.50 0.00 0.00 178.83 178.27 2fs8 h ILE 99 N 0.18 1.28 0.00 2.54 2.04 -1.82 -3.46 117.51 118.26 2fs8 h ILE 99 Ca -0.00 -1.68 0.00 0.00 1.00 0.00 0.00 64.86 64.17 2fs8 h ILE 99 Cb 1.06 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 2fs8 h ILE 99 CO 0.09 0.55 0.00 0.61 0.00 0.00 0.00 178.15 179.40 2fs8 n GLY 100 N 0.35 0.66 3.70 5.37 0.00 -0.89 -5.00 105.19 109.38 2fs8 n GLY 100 Ca -0.04 -2.20 -0.25 0.00 0.00 0.00 0.00 46.02 43.53 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 -1.51 -2.71 4.61 0.00 -1.26 -4.45 120.51 114.19 2fs8 n ALA 101 Ca 0.00 0.18 -0.43 0.00 0.00 0.00 0.00 53.44 53.19 2fs8 n ALA 101 Cb 0.00 -4.19 0.00 0.00 0.00 0.00 0.00 19.45 15.26 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 -2.98 5.10 -3.68 0.00 2.03 -1.26 -4.26 116.55 111.50 2fs8 n ASP 102 Ca -0.07 -3.00 -0.14 0.00 0.52 0.00 0.00 54.79 52.10 2fs8 n ASP 102 Cb 0.58 -1.57 -0.08 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 1.65 0.01 0.24 5.18 2.07 -1.26 -3.80 121.20 125.30 2fs8 s ILE 103 Ca 0.44 -0.11 -0.07 0.00 -1.41 0.00 0.00 60.65 59.49 2fs8 s ILE 103 Cb 0.02 -0.74 -0.02 0.00 0.13 0.00 0.00 42.46 41.85 2fs8 s ILE 103 CO 0.01 -0.06 0.35 0.00 -1.91 0.00 0.00 174.94 173.33 2fs8 s ALA 104 N -0.36 0.39 -0.01 1.50 0.00 0.23 -2.65 121.76 120.85 2fs8 s ALA 104 Ca -0.05 -1.25 0.03 0.00 0.00 0.00 0.00 51.96 50.69 2fs8 s ALA 104 Cb -0.03 1.20 -0.01 0.00 0.00 0.00 0.00 23.12 24.28 2fs8 s ALA 104 CO 0.03 -0.75 -0.11 -0.51 0.00 0.00 0.00 175.76 174.42 2fs8 s LEU 105 N -3.10 2.00 -0.22 0.00 1.43 0.56 -2.10 118.68 117.25 2fs8 s LEU 105 Ca 0.29 -0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.20 2fs8 s LEU 105 Cb 0.02 -0.57 0.03 0.00 0.03 0.00 0.00 46.19 45.70 2fs8 s LEU 105 CO 0.11 0.13 -0.14 -0.76 0.23 0.00 0.00 176.35 175.93 2fs8 s LEU 106 N -0.21 2.74 -0.29 1.79 1.43 0.16 -1.16 118.68 123.14 2fs8 s LEU 106 Ca 0.03 -0.86 -0.18 0.00 -1.03 0.00 0.00 54.13 52.10 2fs8 s LEU 106 Cb -0.05 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.59 2fs8 s LEU 106 CO -0.00 -0.08 0.51 -0.70 0.23 0.00 0.00 176.35 176.31 2fs8 s GLU 107 N 1.27 3.94 0.64 1.70 2.12 -0.68 -0.22 118.70 127.48 2fs8 s GLU 107 Ca 0.01 0.18 -0.13 0.00 0.36 0.00 0.00 54.97 55.38 2fs8 s GLU 107 Cb -0.16 -3.70 -0.02 0.00 0.26 0.00 0.00 34.13 30.52 2fs8 s GLU 107 CO -0.08 -0.43 1.06 -0.51 -0.54 0.00 0.00 175.26 174.75 2fs8 s LEU 108 N 2.33 3.33 0.14 2.70 1.43 -0.27 -0.73 118.68 127.61 2fs8 s LEU 108 Ca 0.20 1.71 0.26 0.00 -1.03 0.00 0.00 54.13 55.28 2fs8 s LEU 108 Cb -0.16 -4.51 0.95 0.00 0.03 0.00 0.00 46.19 42.50 2fs8 s LEU 108 CO 0.10 -1.28 1.80 1.21 0.23 0.00 0.00 176.35 178.41 2fs8 n GLU 109 N -2.54 0.16 -3.78 1.70 2.13 -1.16 -4.56 120.64 112.58 2fs8 n GLU 109 Ca 0.08 0.17 -0.13 0.00 0.66 0.00 0.00 57.16 57.95 2fs8 n GLU 109 Cb 0.53 -1.70 -0.11 0.00 0.27 0.00 0.00 31.44 30.43 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 -3.09 0.37 0.53 5.31 0.41 -1.26 -5.03 118.70 115.94 2fs8 s GLU 110 Ca 0.11 0.31 -0.20 0.00 -0.41 0.00 0.00 54.97 54.77 2fs8 s GLU 110 Cb 0.14 0.18 -0.06 0.00 -1.78 0.00 0.00 34.13 32.60 2fs8 s GLU 110 CO 0.53 -0.06 1.14 -1.25 -0.49 0.00 0.00 175.26 175.14 2fs8 s PRO 111 N -0.06 3.42 0.20 0.39 0.04 -1.26 -4.76 135.00 132.98 2fs8 s PRO 111 Ca -0.02 1.67 -0.07 0.00 0.04 0.00 0.00 61.00 62.62 2fs8 s PRO 111 Cb -0.03 -2.09 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 2fs8 s PRO 111 CO 0.01 -0.80 0.47 0.14 0.04 0.00 0.00 177.00 176.86 2fs8 s VAL 112 N -1.70 5.05 -1.03 -0.36 -7.23 0.09 -4.97 120.40 110.25 2fs8 s VAL 112 Ca 0.71 0.21 -0.22 0.00 -1.81 0.00 0.00 61.98 60.88 2fs8 s VAL 112 Cb -0.25 -3.64 0.07 0.00 0.56 0.00 0.00 36.38 33.12 2fs8 s VAL 112 CO 0.29 -0.06 1.41 -0.54 -0.31 0.00 0.00 175.10 175.90 2fs8 s LYS 113 N -2.85 3.64 0.71 4.82 -0.14 -1.26 -4.88 119.74 119.78 2fs8 s LYS 113 Ca 0.44 -1.35 -0.16 0.00 -1.36 0.00 0.00 55.97 53.53 2fs8 s LYS 113 Cb -0.11 -5.29 -0.05 0.00 -1.68 0.00 0.00 37.83 30.70 2fs8 s LYS 113 CO 0.24 -2.12 0.42 1.33 -0.76 0.00 0.00 175.35 174.46 2fs8 n VAL 114 N 6.53 1.56 -3.97 3.17 0.24 -1.26 -4.98 118.33 119.62 2fs8 n VAL 114 Ca 0.33 -0.41 -0.12 0.00 -2.04 0.00 0.00 64.34 62.09 2fs8 n VAL 114 Cb 0.50 -0.65 -0.01 0.00 -1.47 0.00 0.00 33.84 32.21 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 -1.41 0.57 0.36 -1.34 1.04 0.90 -4.97 113.70 108.84 2fs8 s SER 115 Ca 0.64 -1.36 0.10 0.00 0.48 0.00 0.00 55.95 55.81 2fs8 s SER 115 Cb -0.36 0.75 0.68 0.00 0.10 0.00 0.00 66.02 67.19 2fs8 s SER 115 CO 0.60 -1.47 1.83 0.77 0.98 0.00 0.00 173.24 175.94 2fs8 h SER 116 N 2.06 0.15 0.44 7.02 4.64 -2.01 -2.99 113.55 122.85 2fs8 h SER 116 Ca -0.30 -0.05 -0.27 0.00 -0.47 0.00 0.00 61.79 60.71 2fs8 h SER 116 Cb 1.24 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 63.30 2fs8 h SER 116 CO 0.39 0.44 -1.17 -0.74 -0.87 0.00 0.00 176.83 174.89 2fs8 h HIS 117 N 0.14 0.65 -3.24 4.77 -0.00 -1.95 -3.44 115.15 112.07 2fs8 h HIS 117 Ca 0.02 -0.42 -0.49 0.00 -0.00 0.00 0.00 60.37 59.47 2fs8 h HIS 117 Cb 0.59 -0.05 -0.40 0.00 -0.00 0.00 0.00 27.41 27.56 2fs8 h HIS 117 CO 0.01 1.29 -0.76 0.14 -0.00 0.00 0.00 177.93 178.61 2fs8 s VAL 118 N -2.89 0.42 0.21 5.26 -7.23 -1.13 -4.32 120.40 110.73 2fs8 s VAL 118 Ca -0.06 -0.38 -0.19 0.00 -1.81 0.00 0.00 61.98 59.54 2fs8 s VAL 118 Cb 0.07 -0.88 0.03 0.00 0.56 0.00 0.00 36.38 36.16 2fs8 s VAL 118 CO 0.89 -0.13 0.59 -1.38 -0.31 0.00 0.00 175.10 174.76 2fs8 s HIS 119 N 1.91 -0.22 0.87 2.82 -0.00 -1.07 -0.07 115.29 119.54 2fs8 s HIS 119 Ca 0.01 -0.13 -0.12 0.00 -0.00 0.00 0.00 55.06 54.81 2fs8 s HIS 119 Cb -0.16 0.51 0.07 0.00 -0.00 0.00 0.00 32.58 33.00 2fs8 s HIS 119 CO -0.08 -0.99 0.87 0.25 -0.00 0.00 0.00 174.74 174.80 2fs8 n THR 120 N -0.38 0.82 -4.02 -5.38 -2.24 -1.26 -2.89 114.28 98.93 2fs8 n THR 120 Ca -0.10 -0.16 -0.22 0.00 -2.27 0.00 0.00 64.05 61.30 2fs8 n THR 120 Cb 0.62 -0.92 -0.04 0.00 -2.10 0.00 0.00 70.33 67.89 2fs8 n THR 120 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2fs8 s VAL 121 N -2.33 4.18 -0.05 2.28 0.11 -0.14 -4.80 120.40 119.66 2fs8 s VAL 121 Ca 0.66 -1.39 -0.00 0.00 -2.93 0.00 0.00 61.98 58.32 2fs8 s VAL 121 Cb -0.26 -3.34 -0.03 0.00 -1.53 0.00 0.00 36.38 31.22 2fs8 s VAL 121 CO 0.59 -0.30 0.00 -0.89 -3.33 0.00 0.00 175.10 171.17 2fs8 s THR 122 N -2.18 4.23 0.34 5.04 2.01 -1.24 -4.60 115.64 119.24 2fs8 s THR 122 Ca 0.35 -0.41 -0.26 0.00 0.31 0.00 0.00 61.69 61.68 2fs8 s THR 122 Cb -0.07 -2.83 -0.09 0.00 0.01 0.00 0.00 72.50 69.52 2fs8 s THR 122 CO 0.25 0.50 1.02 -0.76 -0.69 0.00 0.00 174.62 174.94 2fs8 s LEU 123 N -1.19 4.32 0.68 4.42 1.43 -1.26 -1.68 118.68 125.39 2fs8 s LEU 123 Ca 0.16 2.01 -0.11 0.00 -1.03 0.00 0.00 54.13 55.16 2fs8 s LEU 123 Cb -0.11 -3.98 -0.00 0.00 0.03 0.00 0.00 46.19 42.12 2fs8 s LEU 123 CO 0.06 -0.24 1.06 -2.16 0.23 0.00 0.00 176.35 175.29 2fs8 s PRO 124 N -2.05 3.04 0.38 1.29 0.04 -1.26 -4.88 135.00 131.56 2fs8 s PRO 124 Ca 0.52 0.95 -0.25 0.00 0.04 0.00 0.00 61.00 62.25 2fs8 s PRO 124 Cb -0.23 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.22 2fs8 s PRO 124 CO 0.29 -1.02 1.07 -1.25 0.04 0.00 0.00 177.00 176.13 2fs8 s PRO 125 N -4.99 4.23 0.56 0.56 0.04 -1.26 -4.89 135.00 129.25 2fs8 s PRO 125 Ca 0.58 1.59 0.17 0.00 0.04 0.00 0.00 61.00 63.38 2fs8 s PRO 125 Cb -0.14 -2.66 0.95 0.00 0.04 0.00 0.00 34.50 32.69 2fs8 s PRO 125 CO 0.54 -0.10 1.49 0.00 0.04 0.00 0.00 177.00 178.97 2fs8 h ALA 126 N 2.73 1.45 0.14 8.56 0.00 -1.95 0.22 119.26 130.42 2fs8 h ALA 126 Ca -0.48 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.12 2fs8 h ALA 126 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2fs8 h ALA 126 CO 0.63 -0.45 -1.55 0.66 0.00 0.00 0.00 179.25 178.54 2fs8 h SER 127 N 0.00 0.47 -1.87 0.00 4.64 -1.96 -3.48 113.55 111.34 2fs8 h SER 127 Ca 0.00 -0.63 -0.63 0.00 -0.47 0.00 0.00 61.79 60.06 2fs8 h SER 127 Cb 0.99 -0.15 0.12 0.00 -0.31 0.00 0.00 62.40 63.06 2fs8 h SER 127 CO 0.00 1.52 -0.32 1.21 -0.87 0.00 0.00 176.83 178.37 2fs8 n GLU 128 N -3.50 0.57 0.00 4.77 4.07 0.77 -4.94 120.64 122.38 2fs8 n GLU 128 Ca -0.17 0.20 0.00 0.00 -0.06 0.00 0.00 57.16 57.13 2fs8 n GLU 128 Cb 1.05 -1.40 0.00 0.00 -0.06 0.00 0.00 31.44 31.03 2fs8 n GLU 128 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2fs8 n THR 129 N -0.25 0.00 -2.91 6.31 -2.24 -1.26 -4.94 114.28 108.99 2fs8 n THR 129 Ca 0.13 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.86 2fs8 n THR 129 Cb 0.32 0.20 0.01 0.00 -2.10 0.00 0.00 70.33 68.76 2fs8 n THR 129 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2fs8 n PHE 130 N -1.12 -2.95 -1.63 4.78 3.72 -1.26 -4.92 117.46 114.08 2fs8 n PHE 130 Ca 0.00 1.28 -0.35 0.00 -0.05 0.00 0.00 57.45 58.32 2fs8 n PHE 130 Cb 0.05 -3.21 0.08 0.00 -0.94 0.00 0.00 39.48 35.46 2fs8 n PHE 130 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2fs8 s PRO 131 N -1.76 2.41 0.20 -1.08 0.04 -1.26 -4.95 135.00 128.60 2fs8 s PRO 131 Ca 0.08 1.88 -0.31 0.00 0.04 0.00 0.00 61.00 62.69 2fs8 s PRO 131 Cb -0.02 -1.85 -0.11 0.00 0.04 0.00 0.00 34.50 32.56 2fs8 s PRO 131 CO 0.62 -1.66 1.62 -2.14 0.04 0.00 0.00 177.00 175.48 2fs8 s PRO 132 N -3.63 4.18 0.00 0.56 0.02 -1.26 -2.67 135.00 132.20 2fs8 s PRO 132 Ca 0.78 2.47 0.00 0.00 0.02 0.00 0.00 61.00 64.27 2fs8 s PRO 132 Cb -0.32 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.09 2fs8 s PRO 132 CO 0.41 -0.65 0.00 0.41 -0.33 0.00 0.00 177.00 176.84 2fs8 n GLY 133 N 3.58 1.04 3.85 0.52 0.00 -0.91 -4.97 105.19 108.29 2fs8 n GLY 133 Ca 0.14 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 2fs8 n GLY 133 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2fs8 s MET 134 N -2.63 3.59 -0.48 1.61 1.75 -1.09 -4.90 119.30 117.16 2fs8 s MET 134 Ca 0.00 -0.12 -0.28 0.00 -1.25 0.00 0.00 55.69 54.04 2fs8 s MET 134 Cb 0.00 -3.23 -0.00 0.00 2.84 0.00 0.00 34.83 34.44 2fs8 s MET 134 CO 0.00 0.69 1.59 -1.25 -0.65 0.00 0.00 175.02 175.40 2fs8 s PRO 135 N -0.78 3.24 0.15 4.11 0.04 -1.26 -3.29 135.00 137.21 2fs8 s PRO 135 Ca 0.14 0.82 0.06 0.00 0.04 0.00 0.00 61.00 62.06 2fs8 s PRO 135 Cb -0.12 -4.17 -0.04 0.00 0.04 0.00 0.00 34.50 30.21 2fs8 s PRO 135 CO 0.03 -1.98 -0.13 0.00 0.04 0.00 0.00 177.00 174.96 2fs8 s TRP 137 N -2.73 1.37 0.07 0.00 0.52 0.61 -0.43 118.94 118.34 2fs8 s TRP 137 Ca 0.15 -0.28 0.10 0.00 0.02 0.00 0.00 56.10 56.09 2fs8 s TRP 137 Cb -0.01 -0.87 -0.03 0.00 -1.15 0.00 0.00 33.47 31.40 2fs8 s TRP 137 CO 0.03 -0.01 -0.26 0.54 0.02 0.00 0.00 176.95 177.27 2fs8 s VAL 138 N -0.45 2.12 0.07 4.03 0.11 -0.87 -0.97 120.40 124.44 2fs8 s VAL 138 Ca 0.05 -1.48 0.01 0.00 -2.93 0.00 0.00 61.98 57.64 2fs8 s VAL 138 Cb -0.06 -1.84 -0.03 0.00 -1.53 0.00 0.00 36.38 32.91 2fs8 s VAL 138 CO -0.00 0.27 -0.06 0.42 -3.33 0.00 0.00 175.10 172.40 2fs8 s THR 139 N -0.88 0.49 -3.98 5.04 -4.23 -1.22 -2.12 115.64 108.74 2fs8 s THR 139 Ca 0.12 -1.60 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 2fs8 s THR 139 Cb -0.10 -1.24 0.00 0.00 1.34 0.00 0.00 72.50 72.50 2fs8 s THR 139 CO 0.03 -0.74 0.00 0.61 -0.54 0.00 0.00 174.62 173.98 2fs8 n GLY 140 N 0.52 -2.46 1.01 3.99 0.00 -0.74 -4.53 105.19 102.97 2fs8 n GLY 140 Ca -0.16 -1.25 0.04 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 -0.05 1.05 -1.68 1.61 8.01 -1.26 -1.85 117.44 123.28 2fs8 n TRP 141 Ca 0.00 -1.11 -0.30 0.00 -1.31 0.00 0.00 57.50 54.79 2fs8 n TRP 141 Cb 0.00 -0.38 0.19 0.00 -2.01 0.00 0.00 31.31 29.11 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 -2.08 1.70 0.32 6.99 0.00 -1.24 -4.71 107.32 108.30 2fs8 s GLY 142 Ca 0.43 -1.05 -0.27 0.00 0.00 0.00 0.00 44.72 43.83 2fs8 s GLY 142 CO 0.06 -0.29 0.93 1.22 0.00 0.00 0.00 173.10 175.02 2fs8 n ASP 143 N -4.01 0.89 -0.25 1.64 9.92 0.31 -2.39 116.55 122.66 2fs8 n ASP 143 Ca 0.14 1.12 0.11 0.00 -0.53 0.00 0.00 54.79 55.63 2fs8 n ASP 143 Cb 0.59 -1.26 0.55 0.00 -0.64 0.00 0.00 41.12 40.37 2fs8 n ASP 143 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 2fs8 n VAL 144 N -0.05 0.07 0.00 2.53 0.24 -0.16 0.04 118.33 121.00 2fs8 n VAL 144 Ca 0.10 -0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 2fs8 n VAL 144 Cb 0.34 0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.72 2fs8 n VAL 144 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2fs8 n ASP 145 N -0.31 0.00 -4.69 -1.34 4.64 -1.21 -4.37 116.55 109.27 2fs8 n ASP 145 Ca 0.17 0.00 -0.56 0.00 -1.38 0.00 0.00 54.79 53.02 2fs8 n ASP 145 Cb 0.20 0.00 -0.07 0.00 -1.04 0.00 0.00 41.12 40.21 2fs8 n ASP 145 CO 0.00 0.00 0.00 0.59 -0.82 0.00 0.00 177.20 176.97 2fs8 n ASN 146 N 0.00 2.46 -3.80 1.67 3.02 -1.26 -0.61 115.26 116.74 2fs8 n ASN 146 Ca 0.00 1.02 -0.28 0.00 -0.03 0.00 0.00 54.58 55.29 2fs8 n ASN 146 Cb 0.00 -1.17 0.05 0.00 -0.61 0.00 0.00 39.78 38.05 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 5.85 -5.23 -3.50 6.41 10.43 -1.26 -4.96 116.55 124.30 2fs8 n ASP 147 Ca 0.28 -0.70 -0.28 0.00 2.57 0.00 0.00 54.79 56.66 2fs8 n ASP 147 Cb 0.15 -4.29 -0.13 0.00 1.84 0.00 0.00 41.12 38.68 2fs8 n ASP 147 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 2fs8 s GLU 149 N -6.49 0.35 0.65 -1.24 2.12 0.22 -5.10 118.70 109.21 2fs8 s GLU 149 Ca 0.61 -0.82 -0.17 0.00 0.36 0.00 0.00 54.97 54.95 2fs8 s GLU 149 Cb -0.30 -1.16 -0.03 0.00 0.26 0.00 0.00 34.13 32.89 2fs8 s GLU 149 CO 0.80 -1.10 0.85 0.54 -0.54 0.00 0.00 175.26 175.80 2fs8 n ARG 150 N 4.76 0.64 0.00 4.30 3.00 -1.26 -0.99 116.66 127.11 2fs8 n ARG 150 Ca 0.02 0.26 0.00 0.00 -0.01 0.00 0.00 57.85 58.12 2fs8 n ARG 150 Cb 0.40 -2.08 0.00 0.00 0.00 0.00 0.00 32.46 30.78 2fs8 n ARG 150 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2fs8 n LEU 151 N -0.84 0.00 -0.74 0.55 7.94 -1.26 -4.46 117.00 118.19 2fs8 n LEU 151 Ca 0.13 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.03 2fs8 n LEU 151 Cb 0.48 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.43 2fs8 n LEU 151 CO 0.49 -0.36 0.00 -0.81 -1.11 0.00 0.00 177.39 175.60 2fs8 n PRO 152 N -0.64 0.00 -3.48 1.96 -0.04 -1.26 -5.01 135.00 126.53 2fs8 n PRO 152 Ca 0.00 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.23 2fs8 n PRO 152 Cb 0.00 -0.34 0.05 0.00 -0.04 0.00 0.00 33.50 33.17 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 0.20 -2.20 -2.61 0.54 3.72 -1.26 -3.94 117.46 111.90 2fs8 n PHE 153 Ca 0.00 0.66 -0.34 0.00 -0.05 0.00 0.00 57.45 57.72 2fs8 n PHE 153 Cb 0.00 -3.72 -0.04 0.00 -0.94 0.00 0.00 39.48 34.78 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 -5.14 3.93 0.00 -1.08 0.04 -1.26 -1.01 135.00 130.49 2fs8 s PRO 154 Ca 0.42 1.31 -0.30 0.00 0.04 0.00 0.00 61.00 62.47 2fs8 s PRO 154 Cb -0.11 -2.15 -0.06 0.00 0.04 0.00 0.00 34.50 32.22 2fs8 s PRO 154 CO 0.81 -0.31 1.40 -1.17 0.04 0.00 0.00 177.00 177.76 2fs8 s LEU 155 N -3.35 4.32 0.33 -3.56 2.96 -0.23 -4.80 118.68 114.35 2fs8 s LEU 155 Ca 0.65 2.12 0.07 0.00 -0.22 0.00 0.00 54.13 56.75 2fs8 s LEU 155 Cb -0.15 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 42.96 2fs8 s LEU 155 CO 0.19 -0.71 0.36 -0.54 -1.32 0.00 0.00 176.35 174.32 2fs8 s LYS 156 N 2.34 2.92 -0.01 1.98 1.02 -0.77 -0.39 119.74 126.82 2fs8 s LYS 156 Ca 0.64 -1.15 -0.13 0.00 0.02 0.00 0.00 55.97 55.35 2fs8 s LYS 156 Cb -0.31 -2.63 0.02 0.00 -0.52 0.00 0.00 37.83 34.38 2fs8 s LYS 156 CO 0.27 0.12 0.27 1.14 -0.92 0.00 0.00 175.35 176.22 2fs8 s GLN 157 N -4.05 0.64 -0.07 1.68 -2.07 0.10 -1.80 119.66 114.08 2fs8 s GLN 157 Ca 0.42 -0.25 -0.16 0.00 -1.82 0.00 0.00 55.36 53.54 2fs8 s GLN 157 Cb -0.07 0.28 0.03 0.00 -1.09 0.00 0.00 33.01 32.16 2fs8 s GLN 157 CO 0.28 -0.17 0.38 0.54 -1.32 0.00 0.00 175.29 175.00 2fs8 s VAL 158 N -1.40 0.03 -0.28 3.63 0.11 -0.90 -1.21 120.40 120.37 2fs8 s VAL 158 Ca -0.13 -0.24 -0.18 0.00 -2.93 0.00 0.00 61.98 58.50 2fs8 s VAL 158 Cb -0.06 -0.63 -0.02 0.00 -1.53 0.00 0.00 36.38 34.14 2fs8 s VAL 158 CO 0.03 -0.13 0.52 -0.75 -3.33 0.00 0.00 175.10 171.44 2fs8 s LYS 159 N -0.70 3.98 -0.03 1.54 2.20 -1.26 -2.05 119.74 123.42 2fs8 s LYS 159 Ca -0.08 0.23 0.06 0.00 -0.36 0.00 0.00 55.97 55.82 2fs8 s LYS 159 Cb -0.04 -3.68 -0.01 0.00 -1.51 0.00 0.00 37.83 32.58 2fs8 s LYS 159 CO 0.03 -0.42 -0.21 0.14 -0.36 0.00 0.00 175.35 174.53 2fs8 s VAL 160 N 2.34 1.71 0.03 4.02 -7.23 0.43 -4.93 120.40 116.77 2fs8 s VAL 160 Ca 0.21 -0.91 -0.30 0.00 -1.81 0.00 0.00 61.98 59.17 2fs8 s VAL 160 Cb -0.16 -1.43 -0.04 0.00 0.56 0.00 0.00 36.38 35.31 2fs8 s VAL 160 CO 0.10 0.48 1.00 -2.16 -0.31 0.00 0.00 175.10 174.22 2fs8 s PRO 161 N -0.34 4.57 0.57 4.82 0.04 -1.26 -3.03 135.00 140.36 2fs8 s PRO 161 Ca 0.04 1.47 -0.19 0.00 0.04 0.00 0.00 61.00 62.36 2fs8 s PRO 161 Cb -0.10 -3.43 -0.05 0.00 0.04 0.00 0.00 34.50 30.96 2fs8 s PRO 161 CO 0.00 -0.03 1.15 0.42 0.04 0.00 0.00 177.00 178.59 2fs8 s ILE 162 N 0.84 2.98 0.00 0.56 -1.09 -1.21 -1.94 121.20 121.35 2fs8 s ILE 162 Ca 0.52 0.60 0.04 0.00 -2.23 0.00 0.00 60.65 59.58 2fs8 s ILE 162 Cb -0.22 -3.23 -0.01 0.00 -1.58 0.00 0.00 42.46 37.41 2fs8 s ILE 162 CO 0.29 -0.14 -0.13 -0.04 -1.23 0.00 0.00 174.94 173.69 2fs8 s MET 163 N -3.35 0.98 0.31 2.79 -1.94 0.40 -2.15 119.30 116.34 2fs8 s MET 163 Ca 0.74 -0.53 -0.29 0.00 -1.71 0.00 0.00 55.69 53.89 2fs8 s MET 163 Cb -0.26 -0.96 -0.11 0.00 2.01 0.00 0.00 34.83 35.51 2fs8 s MET 163 CO 0.30 0.26 1.52 -2.00 -0.01 0.00 0.00 175.02 175.09 2fs8 s GLU 164 N -0.54 4.16 0.23 2.03 2.12 -1.26 -4.27 118.70 121.17 2fs8 s GLU 164 Ca 0.04 2.50 -0.09 0.00 0.36 0.00 0.00 54.97 57.78 2fs8 s GLU 164 Cb -0.06 -3.03 0.36 0.00 0.26 0.00 0.00 34.13 31.66 2fs8 s GLU 164 CO -0.00 -0.54 1.65 -0.91 -0.54 0.00 0.00 175.26 174.92 2fs8 h ASN 165 N 4.34 -0.29 -0.52 -1.70 4.21 -1.93 -0.67 115.58 119.01 2fs8 h ASN 165 Ca -0.48 0.17 0.03 0.00 1.21 0.00 0.00 56.30 57.23 2fs8 h ASN 165 Cb 1.22 0.30 -0.04 0.00 -1.12 0.00 0.00 38.32 38.68 2fs8 h ASN 165 CO 0.74 -0.14 0.30 -0.74 -1.29 0.00 0.00 177.43 176.30 2fs8 h HIS 166 N 0.12 0.55 -0.78 1.19 2.76 -1.93 -0.83 115.15 116.23 2fs8 h HIS 166 Ca 0.36 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.54 2fs8 h HIS 166 Cb 0.61 -0.17 -0.04 0.00 1.55 0.00 0.00 27.41 29.36 2fs8 h HIS 166 CO -0.39 0.30 0.42 0.82 -1.30 0.00 0.00 177.93 177.78 2fs8 h ILE 167 N 0.58 1.23 -0.27 6.26 1.08 -1.55 0.13 117.51 124.97 2fs8 h ILE 167 Ca 0.22 -0.58 -0.07 0.00 -0.39 0.00 0.00 64.86 64.04 2fs8 h ILE 167 Cb 0.07 0.18 -0.01 0.00 -3.07 0.00 0.00 36.82 33.99 2fs8 h ILE 167 CO -0.12 0.26 -0.10 0.00 -0.69 0.00 0.00 178.15 177.50 2fs8 h ASP 169 N 0.28 0.60 -0.42 0.00 3.58 -0.87 -0.74 116.42 118.85 2fs8 h ASP 169 Ca 0.06 -0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.54 2fs8 h ASP 169 Cb 0.59 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.48 2fs8 h ASP 169 CO 0.03 0.42 0.22 0.00 -2.88 0.00 0.00 179.24 177.03 2fs8 h ALA 170 N 1.25 0.52 -0.44 -0.78 0.00 -0.52 -2.42 119.26 116.87 2fs8 h ALA 170 Ca 0.23 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2fs8 h ALA 170 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2fs8 h ALA 170 CO -0.09 -0.13 0.25 0.87 0.00 0.00 0.00 179.25 180.16 2fs8 h LYS 171 N 0.45 0.61 0.00 0.00 1.57 -0.35 -1.83 116.57 117.02 2fs8 h LYS 171 Ca 0.17 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2fs8 h LYS 171 Cb 0.06 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.25 2fs8 h LYS 171 CO -0.11 0.47 0.00 0.66 -0.57 0.00 0.00 179.45 179.90 2fs8 n TYR 172 N -4.72 0.04 0.29 -1.35 4.02 -0.34 -1.33 117.16 113.76 2fs8 n TYR 172 Ca 0.01 0.02 0.11 0.00 -0.01 0.00 0.00 57.90 58.03 2fs8 n TYR 172 Cb 0.07 -0.53 -0.01 0.00 -0.02 0.00 0.00 39.34 38.85 2fs8 n TYR 172 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 2fs8 n HIS 173 N -1.54 0.51 -2.23 -0.72 8.25 -0.70 -4.68 115.22 114.12 2fs8 n HIS 173 Ca 0.01 0.15 -0.42 0.00 -0.26 0.00 0.00 57.72 57.20 2fs8 n HIS 173 Cb 0.06 -0.66 -0.03 0.00 1.12 0.00 0.00 29.99 30.48 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 -4.60 4.33 -0.59 2.41 1.43 -0.44 -2.27 118.68 118.95 2fs8 s LEU 173 Ca 0.00 2.13 0.00 0.00 -1.03 0.00 0.00 54.13 55.23 2fs8 s LEU 173 Cb 0.12 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.78 2fs8 s LEU 173 CO 0.81 -0.70 0.00 0.61 0.23 0.00 0.00 176.35 177.30 2fs8 n GLY 173 N 3.60 0.59 3.21 -3.19 0.00 -1.26 -5.03 105.19 103.11 2fs8 n GLY 173 Ca 0.13 -0.74 -0.16 0.00 0.00 0.00 0.00 46.02 45.25 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 1.28 -1.03 4.61 0.00 -0.96 -5.04 121.76 118.37 2fs8 s ALA 173 Ca 0.00 -1.24 0.27 0.00 0.00 0.00 0.00 51.96 50.99 2fs8 s ALA 173 Cb 0.00 -0.01 0.84 0.00 0.00 0.00 0.00 23.12 23.95 2fs8 s ALA 173 CO 0.00 0.02 1.65 0.66 0.00 0.00 0.00 175.76 178.08 2fs8 n TYR 173 N 0.52 0.00 -1.73 0.00 4.01 -1.26 -4.89 117.16 113.81 2fs8 n TYR 173 Ca -0.16 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.16 2fs8 n TYR 173 Cb 0.57 -0.35 -0.03 0.00 -0.31 0.00 0.00 39.34 39.23 2fs8 n TYR 173 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2fs8 s THR 173 N -2.98 2.04 0.00 -0.72 2.01 -1.26 -5.18 115.64 109.56 2fs8 s THR 173 Ca 0.13 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.16 2fs8 s THR 173 Cb 0.18 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 69.67 2fs8 s THR 173 CO 0.62 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.16 2fs8 n GLY 173 N 3.98 -3.20 0.00 4.40 0.00 -1.26 -4.92 105.19 104.18 2fs8 n GLY 173 Ca 0.16 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 -4.58 1.61 8.00 -1.26 -4.76 116.55 115.56 2fs8 n ASP 173 Ca 0.00 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.10 2fs8 n ASP 173 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 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 5.12 0.02 2.53 1.01 -1.26 -5.03 120.40 122.78 2fs8 s VAL 173 Ca 0.00 0.42 -0.30 0.00 0.00 0.00 0.00 61.98 62.09 2fs8 s VAL 173 Cb 0.00 -3.81 -0.06 0.00 0.00 0.00 0.00 36.38 32.51 2fs8 s VAL 173 CO 0.00 -0.00 1.52 -0.60 0.00 0.00 0.00 175.10 176.02 2fs8 s ARG 174 N 2.16 4.24 -0.20 2.72 6.06 -1.26 -4.91 118.95 127.76 2fs8 s ARG 174 Ca 0.16 2.13 -0.09 0.00 -2.50 0.00 0.00 55.73 55.42 2fs8 s ARG 174 Cb -0.16 -3.63 -0.09 0.00 0.06 0.00 0.00 34.95 31.13 2fs8 s ARG 174 CO 0.11 -0.67 -0.25 -0.89 -2.50 0.00 0.00 175.30 171.10 2fs8 n ILE 175 N 4.79 1.08 -3.24 4.11 5.41 -1.26 -4.83 119.36 125.42 2fs8 n ILE 175 Ca 0.15 -0.28 -0.43 0.00 1.00 0.00 0.00 62.75 63.18 2fs8 n ILE 175 Cb 0.42 -1.72 -0.08 0.00 -0.71 0.00 0.00 39.64 37.55 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 -2.36 4.99 0.72 1.39 1.01 -1.26 -5.00 120.40 119.88 2fs8 s VAL 176 Ca -0.27 -0.22 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 2fs8 s VAL 176 Cb 0.10 -4.12 0.07 0.00 0.00 0.00 0.00 36.38 32.44 2fs8 s VAL 176 CO 0.35 -0.51 1.02 -0.13 0.00 0.00 0.00 175.10 175.83 2fs8 s ARG 177 N 2.39 2.07 0.52 2.72 0.52 -1.26 -4.78 118.95 121.14 2fs8 s ARG 177 Ca 0.16 -0.35 0.24 0.00 -0.52 0.00 0.00 55.73 55.26 2fs8 s ARG 177 Cb -0.16 -2.17 1.43 0.00 0.52 0.00 0.00 34.95 34.56 2fs8 s ARG 177 CO 0.15 -1.31 2.10 -0.44 0.02 0.00 0.00 175.30 175.83 2fs8 h ASP 178 N -0.63 0.00 -0.26 0.23 3.32 -1.98 -2.09 116.42 115.00 2fs8 h ASP 178 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2fs8 h ASP 178 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 2fs8 h ASP 178 CO 0.57 0.10 0.00 -0.90 -1.72 0.00 0.00 179.24 177.29 2fs8 n ASP 179 N -3.91 1.50 -4.63 6.45 5.75 -1.26 -4.85 116.55 115.61 2fs8 n ASP 179 Ca -0.02 -2.02 -0.24 0.00 -0.01 0.00 0.00 54.79 52.50 2fs8 n ASP 179 Cb 0.19 -0.20 -0.08 0.00 -1.03 0.00 0.00 41.12 40.00 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 -1.64 2.15 0.03 0.11 -1.94 -0.79 -0.80 119.30 116.42 2fs8 s MET 180 Ca 0.18 -1.59 -0.03 0.00 -1.71 0.00 0.00 55.69 52.54 2fs8 s MET 180 Cb 0.10 -2.03 -0.02 0.00 2.01 0.00 0.00 34.83 34.88 2fs8 s MET 180 CO 0.12 0.25 0.02 -1.17 -0.01 0.00 0.00 175.02 174.23 2fs8 s LEU 181 N -3.69 2.08 0.03 -0.03 0.20 0.23 -4.52 118.68 112.98 2fs8 s LEU 181 Ca 0.33 -0.56 0.01 0.00 0.69 0.00 0.00 54.13 54.61 2fs8 s LEU 181 Cb -0.04 0.32 -0.02 0.00 -0.43 0.00 0.00 46.19 46.02 2fs8 s LEU 181 CO 0.19 -0.41 -0.06 0.00 -0.29 0.00 0.00 176.35 175.78 2fs8 s ALA 183 N -1.32 -1.19 0.00 0.00 0.00 -0.51 -0.46 121.76 118.28 2fs8 s ALA 183 Ca -0.11 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.09 2fs8 s ALA 183 Cb -0.09 0.66 0.00 0.00 0.00 0.00 0.00 23.12 23.68 2fs8 s ALA 183 CO -0.00 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 175.53 2fs8 n GLY 184 N -0.09 2.36 0.00 0.00 0.00 -0.82 -1.80 105.19 104.84 2fs8 n GLY 184 Ca -0.17 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.77 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 2.04 -0.17 -4.74 115.26 114.00 2fs8 n ASN 185 Ca 0.00 -0.32 0.14 0.00 -0.44 0.00 0.00 54.58 53.96 2fs8 n ASN 185 Cb 0.00 0.00 0.77 0.00 -2.53 0.00 0.00 39.78 38.02 2fs8 n ASN 185 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 2fs8 n THR 186 N 0.00 0.05 -0.01 5.53 -2.24 -1.26 -3.58 114.28 112.77 2fs8 n THR 186 Ca 0.00 0.01 -0.01 0.00 -2.27 0.00 0.00 64.05 61.79 2fs8 n THR 186 Cb 0.00 -0.58 -0.01 0.00 -2.10 0.00 0.00 70.33 67.64 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 -1.11 3.50 -4.96 -0.78 1.74 -1.26 -4.81 116.66 108.99 2fs8 n ARG 187 Ca 0.18 -0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.97 2fs8 n ARG 187 Cb 0.14 -1.03 -0.17 0.00 -1.02 0.00 0.00 32.46 30.38 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 -2.04 2.43 -0.07 5.56 0.52 -1.24 -3.60 118.95 120.51 2fs8 s ARG 188 Ca -0.01 -0.69 -0.32 0.00 -0.52 0.00 0.00 55.73 54.20 2fs8 s ARG 188 Cb 0.00 -1.90 0.13 0.00 0.52 0.00 0.00 34.95 33.70 2fs8 s ARG 188 CO 0.05 0.14 1.27 0.34 0.02 0.00 0.00 175.30 177.12 2fs8 s ASP 189 N 0.42 -0.08 0.43 0.23 -1.08 -1.04 -1.00 116.67 114.55 2fs8 s ASP 189 Ca -0.16 -0.09 0.03 0.00 -0.52 0.00 0.00 52.55 51.81 2fs8 s ASP 189 Cb -0.17 0.15 0.00 0.00 -1.46 0.00 0.00 42.92 41.45 2fs8 s ASP 189 CO 0.06 -0.27 0.62 -0.94 0.52 0.00 0.00 175.17 175.17 2fs8 s SER 190 N -2.73 5.76 0.10 -0.34 1.04 -1.26 0.11 113.70 116.38 2fs8 s SER 190 Ca 0.13 0.05 -0.00 0.00 0.48 0.00 0.00 55.95 56.60 2fs8 s SER 190 Cb 0.03 -1.27 0.00 0.00 0.10 0.00 0.00 66.02 64.89 2fs8 s SER 190 CO -0.04 -0.71 0.14 0.00 0.98 0.00 0.00 173.24 173.61 2fs8 n GLN 192 N -0.17 2.29 0.00 0.00 3.00 -1.26 -0.97 117.38 120.26 2fs8 n GLN 192 Ca 0.00 0.83 0.00 0.00 -0.01 0.00 0.00 57.00 57.83 2fs8 n GLN 192 Cb 0.17 -2.73 0.00 0.00 0.00 0.00 0.00 30.24 27.68 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 4.53 2.11 0.05 1.08 0.00 -1.26 0.11 105.19 111.82 2fs8 n GLY 193 Ca 0.23 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.36 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 0.40 -4.58 1.61 8.00 -0.15 -3.69 116.55 118.14 2fs8 n ASP 194 Ca 0.00 0.09 -0.50 0.00 0.71 0.00 0.00 54.79 55.09 2fs8 n ASP 194 Cb 0.00 1.28 -0.05 0.00 -0.02 0.00 0.00 41.12 42.33 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 -2.38 1.44 0.00 -2.24 7.64 -1.26 -0.65 113.62 116.18 2fs8 n SER 195 Ca -0.02 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.00 2fs8 n SER 195 Cb 0.55 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 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 2.16 0.67 3.83 0.23 0.00 0.24 -1.00 105.19 111.33 2fs8 n GLY 196 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.85 1.61 0.17 -0.02 0.00 0.18 -2.99 107.32 104.41 2fs8 s GLY 197 Ca 0.00 -0.67 -0.10 0.00 0.00 0.00 0.00 44.72 43.95 2fs8 s GLY 197 CO 0.00 -0.09 0.50 2.56 0.00 0.00 0.00 173.10 176.06 2fs8 s PRO 198 N -5.46 3.81 -0.27 2.90 0.04 -1.26 -0.98 135.00 133.78 2fs8 s PRO 198 Ca 0.65 0.26 0.02 0.00 0.04 0.00 0.00 61.00 61.97 2fs8 s PRO 198 Cb -0.12 -2.81 0.07 0.00 0.04 0.00 0.00 34.50 31.68 2fs8 s PRO 198 CO 0.52 0.42 -0.05 -1.17 0.04 0.00 0.00 177.00 176.77 2fs8 s LEU 199 N -2.41 3.28 0.12 -3.56 2.96 -0.48 -3.43 118.68 115.16 2fs8 s LEU 199 Ca 0.41 -1.47 0.07 0.00 -0.22 0.00 0.00 54.13 52.93 2fs8 s LEU 199 Cb -0.13 -1.38 -0.04 0.00 0.50 0.00 0.00 46.19 45.14 2fs8 s LEU 199 CO 0.20 -0.26 -0.10 0.68 -1.32 0.00 0.00 176.35 175.56 2fs8 s VAL 200 N 1.21 3.31 0.03 1.68 -7.23 -0.15 0.45 120.40 119.70 2fs8 s VAL 200 Ca -0.03 -1.34 0.03 0.00 -1.81 0.00 0.00 61.98 58.82 2fs8 s VAL 200 Cb -0.19 -2.56 -0.02 0.00 0.56 0.00 0.00 36.38 34.17 2fs8 s VAL 200 CO -0.07 0.08 -0.09 0.00 -0.31 0.00 0.00 175.10 174.70 2fs8 s LYS 202 N -1.12 3.59 -0.09 0.00 2.20 -1.25 -1.74 119.74 121.34 2fs8 s LYS 202 Ca -0.03 -0.08 0.04 0.00 -0.36 0.00 0.00 55.97 55.54 2fs8 s LYS 202 Cb -0.07 -3.84 0.00 0.00 -1.51 0.00 0.00 37.83 32.41 2fs8 s LYS 202 CO 0.01 -0.77 -0.21 0.08 -0.36 0.00 0.00 175.35 174.10 2fs8 s VAL 203 N 2.66 1.81 -1.26 4.02 1.01 0.65 -4.65 120.40 124.63 2fs8 s VAL 203 Ca 0.23 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.34 2fs8 s VAL 203 Cb -0.15 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.66 2fs8 s VAL 203 CO 0.15 0.50 0.00 0.59 0.00 0.00 0.00 175.10 176.35 2fs8 n ASN 204 N 3.60 -4.16 -0.12 3.32 5.03 -1.26 -0.60 115.26 121.08 2fs8 n ASN 204 Ca -0.20 0.20 -0.00 0.00 0.87 0.00 0.00 54.58 55.45 2fs8 n ASN 204 Cb 0.53 -3.58 0.00 0.00 -1.02 0.00 0.00 39.78 35.70 2fs8 n ASN 204 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2fs8 n GLY 205 N -0.71 0.50 3.32 7.41 0.00 -1.26 -5.07 105.19 109.38 2fs8 n GLY 205 Ca -0.16 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.23 0.00 -0.25 2.61 2.01 0.23 -5.13 115.64 112.88 2fs8 s THR 206 Ca 0.00 -0.03 -0.28 0.00 0.31 0.00 0.00 61.69 61.69 2fs8 s THR 206 Cb -0.00 -0.60 0.01 0.00 0.01 0.00 0.00 72.50 71.92 2fs8 s THR 206 CO 0.00 -0.02 1.01 0.26 -0.69 0.00 0.00 174.62 175.18 2fs8 s TRP 207 N 0.11 3.29 0.00 4.92 0.52 -1.26 -0.25 118.94 126.27 2fs8 s TRP 207 Ca -0.01 1.34 0.08 0.00 0.02 0.00 0.00 56.10 57.52 2fs8 s TRP 207 Cb -0.03 -3.33 -0.02 0.00 -1.15 0.00 0.00 33.47 28.94 2fs8 s TRP 207 CO 0.01 -0.53 -0.24 -0.51 0.02 0.00 0.00 176.95 175.69 2fs8 s LEU 208 N 3.24 2.09 -0.35 2.99 1.43 -0.71 -3.60 118.68 123.76 2fs8 s LEU 208 Ca 0.42 -0.48 -0.26 0.00 -1.03 0.00 0.00 54.13 52.78 2fs8 s LEU 208 Cb -0.14 -1.23 0.01 0.00 0.03 0.00 0.00 46.19 44.86 2fs8 s LEU 208 CO 0.08 0.28 0.93 -1.58 0.23 0.00 0.00 176.35 176.29 2fs8 s GLN 209 N -0.78 3.91 -0.02 1.70 0.74 -0.68 -1.20 119.66 123.34 2fs8 s GLN 209 Ca 0.10 0.69 0.15 0.00 0.05 0.00 0.00 55.36 56.34 2fs8 s GLN 209 Cb -0.09 -3.77 -0.20 0.00 1.10 0.00 0.00 33.01 30.04 2fs8 s GLN 209 CO 0.00 -0.89 0.68 0.00 -0.55 0.00 0.00 175.29 174.53 2fs8 n ALA 210 N 6.69 1.67 -3.35 1.58 0.00 0.17 -4.27 120.51 123.01 2fs8 n ALA 210 Ca 0.08 -0.72 -0.09 0.00 0.00 0.00 0.00 53.44 52.71 2fs8 n ALA 210 Cb 0.48 -0.85 -0.04 0.00 0.00 0.00 0.00 19.45 19.04 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 -5.01 0.43 -0.12 0.00 0.00 -1.00 -1.91 107.32 99.71 2fs8 s GLY 211 Ca -0.04 -0.78 0.02 0.00 0.00 0.00 0.00 44.72 43.92 2fs8 s GLY 211 CO 0.82 -0.51 -0.19 0.14 0.00 0.00 0.00 173.10 173.36 2fs8 s VAL 212 N -3.87 2.44 -0.20 1.40 1.01 -1.04 -1.38 120.40 118.76 2fs8 s VAL 212 Ca 0.20 -0.88 -0.33 0.00 0.00 0.00 0.00 61.98 60.98 2fs8 s VAL 212 Cb -0.02 -1.98 -0.10 0.00 0.00 0.00 0.00 36.38 34.28 2fs8 s VAL 212 CO 0.09 0.54 2.07 0.52 0.00 0.00 0.00 175.10 178.33 2fs8 n VAL 213 N 3.65 0.40 0.00 2.92 0.31 -0.16 -1.08 118.33 124.38 2fs8 n VAL 213 Ca -0.19 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 2fs8 n VAL 213 Cb 0.53 -2.01 0.00 0.00 -0.91 0.00 0.00 33.84 31.45 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 9.05 0.00 -0.98 4.52 2.88 -0.96 -0.59 113.62 127.54 2fs8 n SER 214 Ca 0.30 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 2fs8 n SER 214 Cb 0.32 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 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 -1.01 -0.11 0.00 0.66 4.27 -0.89 -4.87 117.44 115.50 2fs8 n TRP 215 Ca 0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 2fs8 n TRP 215 Cb 0.00 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 29.95 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 0.00 2.85 3.51 -1.67 0.00 -1.26 -1.32 105.19 107.30 2fs8 n GLY 216 Ca 0.00 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.00 3.21 2.45 1.61 2.12 -1.26 -4.85 118.70 119.97 2fs8 s GLU 217 Ca 0.00 -0.42 0.00 0.00 0.36 0.00 0.00 54.97 54.91 2fs8 s GLU 217 Cb 0.00 -4.16 0.00 0.00 0.26 0.00 0.00 34.13 30.23 2fs8 s GLU 217 CO 0.00 -1.88 0.00 0.41 -0.54 0.00 0.00 175.26 173.25 2fs8 n GLY 219 N 5.29 -0.14 3.02 -1.50 0.00 -1.26 -4.53 105.19 106.06 2fs8 n GLY 219 Ca 0.01 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 44.78 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 3.84 -0.72 -2.00 0.00 0.00 -1.26 -4.71 120.51 115.66 2fs8 n ALA 221 Ca -0.23 0.16 -0.35 0.00 0.00 0.00 0.00 53.44 53.02 2fs8 n ALA 221 Cb 0.52 -2.26 -0.06 0.00 0.00 0.00 0.00 19.45 17.64 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 -5.17 4.29 0.26 0.00 -1.52 -1.26 -4.20 119.66 112.06 2fs8 s GLN 221 Ca 0.05 0.97 -0.31 0.00 -1.95 0.00 0.00 55.36 54.13 2fs8 s GLN 221 Cb -0.03 -2.71 -0.13 0.00 -0.22 0.00 0.00 33.01 29.92 2fs8 s GLN 221 CO 0.07 0.28 1.35 -0.35 -0.25 0.00 0.00 175.29 176.39 2fs8 n PRO 222 N 0.35 1.97 -1.73 2.91 -0.04 -1.26 -1.44 135.00 135.76 2fs8 n PRO 222 Ca 0.01 0.70 -0.14 0.00 -0.04 0.00 0.00 63.50 64.03 2fs8 n PRO 222 Cb 0.51 -2.32 -0.04 0.00 -0.04 0.00 0.00 33.50 31.61 2fs8 n PRO 222 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2fs8 n ASN 223 N 1.86 -3.80 -3.17 3.54 3.02 -1.26 -4.86 115.26 110.59 2fs8 n ASN 223 Ca 0.10 0.28 -0.22 0.00 -0.03 0.00 0.00 54.58 54.72 2fs8 n ASN 223 Cb 0.32 -3.42 -0.05 0.00 -0.61 0.00 0.00 39.78 36.02 2fs8 n ASN 223 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2fs8 n ARG 224 N -2.21 1.45 -1.05 3.52 5.12 -0.52 -3.55 116.66 119.42 2fs8 n ARG 224 Ca -0.14 -3.72 -0.33 0.00 -1.93 0.00 0.00 57.85 51.73 2fs8 n ARG 224 Cb 0.50 -1.73 0.13 0.00 -1.16 0.00 0.00 32.46 30.21 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 -2.32 1.56 0.28 5.56 0.04 -1.26 -4.26 135.00 134.60 2fs8 s PRO 225 Ca 0.40 1.67 -0.29 0.00 0.04 0.00 0.00 61.00 62.82 2fs8 s PRO 225 Cb 0.28 -1.78 -0.10 0.00 0.04 0.00 0.00 34.50 32.94 2fs8 s PRO 225 CO -0.09 -2.25 1.38 0.20 0.04 0.00 0.00 177.00 176.28 2fs8 s GLY 226 N -2.35 2.60 -0.16 0.56 0.00 -0.74 -4.75 107.32 102.48 2fs8 s GLY 226 Ca 0.71 1.29 -0.06 0.00 0.00 0.00 0.00 44.72 46.66 2fs8 s GLY 226 CO 0.52 2.12 0.03 -0.42 0.00 0.00 0.00 173.10 175.36 2fs8 s ILE 227 N -0.44 4.55 0.15 0.90 -1.09 -0.43 -1.42 121.20 123.41 2fs8 s ILE 227 Ca 0.55 -0.13 0.08 0.00 -2.23 0.00 0.00 60.65 58.93 2fs8 s ILE 227 Cb -0.41 -3.01 -0.04 0.00 -1.58 0.00 0.00 42.46 37.42 2fs8 s ILE 227 CO 0.47 0.50 -0.19 -0.31 -1.23 0.00 0.00 174.94 174.18 2fs8 s TYR 228 N 0.10 1.82 -0.30 3.97 1.51 0.47 -2.09 117.35 122.83 2fs8 s TYR 228 Ca 0.03 -0.45 -0.29 0.00 -1.01 0.00 0.00 57.07 55.35 2fs8 s TYR 228 Cb -0.13 -0.93 0.01 0.00 -0.11 0.00 0.00 41.96 40.80 2fs8 s TYR 228 CO 0.01 0.30 1.23 0.99 -1.11 0.00 0.00 175.55 176.97 2fs8 s THR 229 N -1.79 4.26 -0.15 -0.71 2.01 -0.24 0.74 115.64 119.75 2fs8 s THR 229 Ca 0.13 1.43 -0.29 0.00 0.31 0.00 0.00 61.69 63.28 2fs8 s THR 229 Cb -0.07 -4.24 -0.06 0.00 0.01 0.00 0.00 72.50 68.14 2fs8 s THR 229 CO 0.06 -0.47 2.14 -0.60 -0.69 0.00 0.00 174.62 175.06 2fs8 s ARG 230 N 3.99 3.40 0.09 4.92 3.52 0.02 -2.50 118.95 132.39 2fs8 s ARG 230 Ca 0.53 2.17 -0.21 0.00 -0.13 0.00 0.00 55.73 58.09 2fs8 s ARG 230 Cb -0.15 -4.31 -0.10 0.00 -1.56 0.00 0.00 34.95 28.82 2fs8 s ARG 230 CO 0.21 -1.80 1.65 0.28 -0.81 0.00 0.00 175.30 174.82 2fs8 h VAL 231 N 6.74 1.14 -1.04 7.11 2.07 -1.68 -2.86 116.25 127.73 2fs8 h VAL 231 Ca -0.43 -0.40 0.28 0.00 0.82 0.00 0.00 66.70 66.97 2fs8 h VAL 231 Cb 1.24 1.10 -0.12 0.00 -1.52 0.00 0.00 31.29 31.99 2fs8 h VAL 231 CO 0.96 0.13 0.63 0.71 0.02 0.00 0.00 177.57 180.01 2fs8 h THR 232 N 0.13 0.47 -0.45 2.57 1.35 -1.87 0.06 112.91 115.16 2fs8 h THR 232 Ca 0.06 -0.15 0.13 0.00 -0.55 0.00 0.00 66.41 65.89 2fs8 h THR 232 Cb 0.13 -0.02 -0.02 0.00 -1.73 0.00 0.00 68.15 66.51 2fs8 h THR 232 CO -0.01 0.08 0.32 0.22 -0.25 0.00 0.00 175.52 175.89 2fs8 h TYR 233 N 0.45 0.02 -0.08 4.73 5.03 -1.87 -2.69 116.97 122.56 2fs8 h TYR 233 Ca 0.66 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.97 2fs8 h TYR 233 Cb 1.48 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 39.75 2fs8 h TYR 233 CO -0.01 0.01 0.00 0.66 -1.32 0.00 0.00 178.16 177.50 2fs8 n TYR 234 N -4.41 0.19 -0.25 -3.82 4.01 -0.02 -4.72 117.16 108.14 2fs8 n TYR 234 Ca 0.08 -0.76 0.06 0.00 -0.16 0.00 0.00 57.90 57.12 2fs8 n TYR 234 Cb 0.51 -0.13 0.18 0.00 -0.31 0.00 0.00 39.34 39.59 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 0.49 -0.07 -0.79 7.72 3.38 -1.15 0.08 115.31 124.96 2fs8 h LEU 235 Ca 0.00 0.16 0.08 0.00 0.09 0.00 0.00 57.88 58.21 2fs8 h LEU 235 Cb 0.86 0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.78 2fs8 h LEU 235 CO 0.03 -0.07 0.45 0.44 0.09 0.00 0.00 178.44 179.38 2fs8 h ASP 236 N 0.22 0.66 -0.29 -0.43 3.45 -1.84 0.27 116.42 118.46 2fs8 h ASP 236 Ca 0.41 0.04 -0.09 0.00 0.43 0.00 0.00 57.03 57.83 2fs8 h ASP 236 Cb 0.72 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.40 2fs8 h ASP 236 CO -0.54 0.39 -0.17 -0.25 -1.57 0.00 0.00 179.24 177.10 2fs8 h TRP 237 N 0.78 0.74 -0.37 4.55 7.01 -1.40 -2.92 115.95 124.34 2fs8 h TRP 237 Ca 0.38 -0.19 -0.01 0.00 2.11 0.00 0.00 58.89 61.17 2fs8 h TRP 237 Cb 0.31 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.19 2fs8 h TRP 237 CO -0.06 0.88 0.17 0.82 -2.79 0.00 0.00 178.44 177.46 2fs8 h ILE 238 N 0.38 1.17 0.00 2.65 2.04 -0.54 -2.82 117.51 120.39 2fs8 h ILE 238 Ca 0.06 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.43 2fs8 h ILE 238 Cb 0.70 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 2fs8 h ILE 238 CO 0.05 0.18 0.00 1.41 0.00 0.00 0.00 178.15 179.79 2fs8 n HIS 239 N -4.71 0.00 0.26 1.37 8.25 0.91 -1.02 115.22 120.28 2fs8 n HIS 239 Ca -0.01 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.59 2fs8 n HIS 239 Cb 0.11 -0.28 0.29 0.00 1.12 0.00 0.00 29.99 31.23 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 -0.00 -1.30 -3.37 115.15 114.89 2fs8 h HIS 240 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.28 2fs8 h HIS 240 Cb 0.15 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.54 2fs8 h HIS 240 CO 0.00 0.00 -1.33 0.66 -0.00 0.00 0.00 177.93 177.26 2fs8 n TYR 241 N -3.03 0.00 -3.05 5.26 4.01 -0.84 -4.99 117.16 114.52 2fs8 n TYR 241 Ca 0.03 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.35 2fs8 n TYR 241 Cb 0.48 -0.22 -0.06 0.00 -0.31 0.00 0.00 39.34 39.23 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 -2.11 4.83 0.33 -0.72 1.01 -0.19 -5.04 120.40 118.51 2fs8 s VAL 242 Ca -0.08 0.66 -0.26 0.00 0.00 0.00 0.00 61.98 62.30 2fs8 s VAL 242 Cb 0.02 -4.14 -0.13 0.00 0.00 0.00 0.00 36.38 32.13 2fs8 s VAL 242 CO 0.12 -0.38 0.86 -2.65 0.00 0.00 0.00 175.10 173.05 2fs8 n PRO 243 N 6.20 1.05 0.00 2.72 -0.02 -1.26 -4.42 135.00 139.27 2fs8 n PRO 243 Ca 0.00 0.37 0.13 0.00 -2.02 0.00 0.00 63.50 61.98 2fs8 n PRO 243 Cb 0.48 -1.72 0.75 0.00 -0.02 0.00 0.00 33.50 33.00 2fs8 n PRO 243 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11