#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 4.98 -0.67 1.39 1.01 0.12 -4.12 120.40 123.11 2fs8 s VAL 17 Ca 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.97 2fs8 s VAL 17 Cb 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.15 2fs8 s VAL 17 CO 0.00 0.48 0.54 0.61 0.00 0.00 0.00 175.10 176.74 2fs8 n GLY 18 N 3.26 0.22 0.00 4.51 0.00 -1.23 -2.26 105.19 109.69 2fs8 n GLY 18 Ca -0.17 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.22 5.14 3.48 -0.02 0.00 -1.26 -4.79 105.19 106.53 2fs8 n GLY 19 Ca -0.00 -1.65 -0.09 0.00 0.00 0.00 0.00 46.02 44.27 2fs8 n GLY 19 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2fs8 s GLN 20 N 2.15 1.37 0.23 1.61 -2.07 -1.03 -4.98 119.66 116.93 2fs8 s GLN 20 Ca 0.00 -1.14 -0.30 0.00 -1.82 0.00 0.00 55.36 52.09 2fs8 s GLN 20 Cb 0.00 0.45 -0.10 0.00 -1.09 0.00 0.00 33.01 32.27 2fs8 s GLN 20 CO 0.00 -0.55 1.48 -2.00 -1.32 0.00 0.00 175.29 172.90 2fs8 s GLU 21 N -3.97 4.24 0.28 9.60 2.12 -1.26 -1.97 118.70 127.73 2fs8 s GLU 21 Ca 0.18 2.34 -0.26 0.00 0.36 0.00 0.00 54.97 57.59 2fs8 s GLU 21 Cb 0.01 -3.11 -0.09 0.00 0.26 0.00 0.00 34.13 31.19 2fs8 s GLU 21 CO 0.03 -0.48 0.90 0.00 -0.54 0.00 0.00 175.26 175.17 2fs8 s ALA 22 N 0.28 3.29 0.61 6.30 0.00 0.16 -4.83 121.76 127.56 2fs8 s ALA 22 Ca 0.62 0.48 -0.17 0.00 0.00 0.00 0.00 51.96 52.89 2fs8 s ALA 22 Cb -0.43 -3.12 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 2fs8 s ALA 22 CO 0.41 0.21 1.14 -1.25 0.00 0.00 0.00 175.76 176.27 2fs8 s PRO 23 N -1.77 2.99 0.57 0.00 0.04 -1.26 -4.89 135.00 130.68 2fs8 s PRO 23 Ca 0.46 1.58 0.28 0.00 0.04 0.00 0.00 61.00 63.35 2fs8 s PRO 23 Cb -0.20 -1.96 1.50 0.00 0.04 0.00 0.00 34.50 33.88 2fs8 s PRO 23 CO 0.25 -1.13 1.99 0.00 0.04 0.00 0.00 177.00 178.15 2fs8 h ARG 24 N 0.60 0.00 -0.06 4.56 3.08 -2.00 -1.71 114.38 118.85 2fs8 h ARG 24 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2fs8 h ARG 24 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 2fs8 h ARG 24 CO 0.55 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 178.32 2fs8 n SER 25 N -3.98 0.91 -4.66 7.04 3.41 -1.26 -4.90 113.62 110.18 2fs8 n SER 25 Ca 0.07 -1.46 -0.26 0.00 -0.26 0.00 0.00 58.87 56.96 2fs8 n SER 25 Cb 0.55 -0.04 -0.08 0.00 -0.26 0.00 0.00 64.21 64.39 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 -1.93 2.38 -1.17 4.33 1.02 -0.65 -4.75 119.74 118.97 2fs8 s LYS 26 Ca 0.35 -1.18 -0.14 0.00 0.02 0.00 0.00 55.97 55.02 2fs8 s LYS 26 Cb 0.18 -2.31 -0.02 0.00 -0.52 0.00 0.00 37.83 35.16 2fs8 s LYS 26 CO 0.29 0.43 0.77 0.91 -0.92 0.00 0.00 175.35 176.83 2fs8 n TRP 27 N -0.32 -1.97 0.32 3.18 7.02 -1.26 -4.87 117.44 119.53 2fs8 n TRP 27 Ca -0.09 0.60 0.07 0.00 -1.02 0.00 0.00 57.50 57.05 2fs8 n TRP 27 Cb 0.56 -3.72 0.30 0.00 -2.42 0.00 0.00 31.31 26.03 2fs8 n TRP 27 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 2fs8 n PRO 28 N -4.07 0.05 0.00 -0.99 -0.04 -1.26 -2.60 135.00 126.10 2fs8 n PRO 28 Ca -0.14 0.39 0.11 0.00 -0.04 0.00 0.00 63.50 63.82 2fs8 n PRO 28 Cb 0.62 -1.62 0.08 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.73 0.00 -1.89 0.54 2.14 -1.18 -2.78 117.44 112.54 2fs8 n TRP 29 Ca 0.02 0.00 -0.40 0.00 2.07 0.00 0.00 57.50 59.18 2fs8 n TRP 29 Cb 0.12 -0.11 -0.00 0.00 -0.81 0.00 0.00 31.31 30.51 2fs8 n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2fs8 s GLN 30 N -2.94 4.03 0.15 -2.67 2.00 -1.07 -1.09 119.66 118.07 2fs8 s GLN 30 Ca 0.11 2.42 -0.00 0.00 -2.00 0.00 0.00 55.36 55.89 2fs8 s GLN 30 Cb 0.17 -2.88 -0.04 0.00 0.80 0.00 0.00 33.01 31.06 2fs8 s GLN 30 CO 0.76 -0.54 0.05 0.14 -0.50 0.00 0.00 175.29 175.19 2fs8 s VAL 31 N -1.16 0.28 -0.07 1.34 -7.23 -0.98 -2.06 120.40 110.51 2fs8 s VAL 31 Ca 0.55 -1.94 0.03 0.00 -1.81 0.00 0.00 61.98 58.81 2fs8 s VAL 31 Cb -0.44 -2.11 0.01 0.00 0.56 0.00 0.00 36.38 34.40 2fs8 s VAL 31 CO 0.58 -0.43 -0.17 -0.55 -0.31 0.00 0.00 175.10 174.22 2fs8 s SER 32 N -3.10 2.25 -0.00 4.85 0.15 -0.18 -2.47 113.70 115.20 2fs8 s SER 32 Ca 0.25 -0.39 -0.15 0.00 0.70 0.00 0.00 55.95 56.36 2fs8 s SER 32 Cb 0.07 -1.00 -0.06 0.00 -1.71 0.00 0.00 66.02 63.32 2fs8 s SER 32 CO 0.03 0.09 0.42 -0.76 1.20 0.00 0.00 173.24 174.22 2fs8 s LEU 33 N 0.49 4.47 -0.05 3.45 1.43 -0.06 -0.90 118.68 127.52 2fs8 s LEU 33 Ca -0.15 0.98 0.04 0.00 -1.03 0.00 0.00 54.13 53.96 2fs8 s LEU 33 Cb -0.16 -2.61 -0.00 0.00 0.03 0.00 0.00 46.19 43.45 2fs8 s LEU 33 CO 0.05 0.30 -0.17 -0.13 0.23 0.00 0.00 176.35 176.64 2fs8 s ARG 34 N -0.98 1.83 -0.09 1.70 1.81 0.59 -2.44 118.95 121.37 2fs8 s ARG 34 Ca 0.24 -0.59 -0.02 0.00 -1.72 0.00 0.00 55.73 53.64 2fs8 s ARG 34 Cb -0.17 -1.56 -0.03 0.00 -0.45 0.00 0.00 34.95 32.74 2fs8 s ARG 34 CO 0.14 0.20 0.02 0.54 -0.68 0.00 0.00 175.30 175.52 2fs8 s VAL 35 N 0.17 4.48 0.28 3.52 0.11 0.06 -1.01 120.40 128.01 2fs8 s VAL 35 Ca -0.07 -0.19 -0.29 0.00 -2.93 0.00 0.00 61.98 58.50 2fs8 s VAL 35 Cb -0.13 -2.90 -0.10 0.00 -1.53 0.00 0.00 36.38 31.73 2fs8 s VAL 35 CO 0.03 0.60 1.21 -2.28 -3.33 0.00 0.00 175.10 171.32 2fs8 s HIS 36 N -0.91 3.34 0.00 1.54 2.46 0.41 -1.99 115.29 120.14 2fs8 s HIS 36 Ca 0.14 1.53 0.00 0.00 0.47 0.00 0.00 55.06 57.19 2fs8 s HIS 36 Cb -0.11 -3.48 0.00 0.00 -0.13 0.00 0.00 32.58 28.86 2fs8 s HIS 36 CO 0.03 -1.22 0.00 0.41 -2.47 0.00 0.00 174.74 171.49 2fs8 n GLY 37 N 1.23 1.70 0.45 1.59 0.00 -1.26 -4.93 105.19 103.98 2fs8 n GLY 37 Ca 0.00 -0.48 0.27 0.00 0.00 0.00 0.00 46.02 45.82 2fs8 n GLY 37 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2fs8 h PRO 37 N 0.00 0.13 -3.83 1.61 0.13 -2.04 -3.41 132.00 124.58 2fs8 h PRO 37 Ca 0.00 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 65.03 2fs8 h PRO 37 Cb 0.00 -0.03 -0.13 0.00 0.13 0.00 0.00 31.00 30.97 2fs8 h PRO 37 CO 0.00 0.08 -0.32 1.52 -0.23 0.00 0.00 178.00 179.05 2fs8 s TYR 37 N -5.13 0.28 -0.97 1.56 1.13 -1.26 -5.08 117.35 107.89 2fs8 s TYR 37 Ca -0.06 -0.67 -0.24 0.00 -1.41 0.00 0.00 57.07 54.69 2fs8 s TYR 37 Cb 0.22 -0.04 -0.01 0.00 -1.10 0.00 0.00 41.96 41.04 2fs8 s TYR 37 CO 0.78 -0.66 1.74 -1.58 -2.51 0.00 0.00 175.55 173.32 2fs8 s TRP 38 N -3.92 2.14 0.30 -3.49 0.52 -1.26 -4.70 118.94 108.52 2fs8 s TRP 38 Ca 0.12 -0.04 -0.27 0.00 0.02 0.00 0.00 56.10 55.94 2fs8 s TRP 38 Cb 0.04 -4.33 -0.10 0.00 -1.15 0.00 0.00 33.47 27.93 2fs8 s TRP 38 CO -0.04 -1.81 0.93 1.41 0.02 0.00 0.00 176.95 177.46 2fs8 s MET 39 N 6.08 4.64 -0.11 4.98 1.75 -0.84 -4.74 119.30 131.05 2fs8 s MET 39 Ca 0.60 1.35 -0.30 0.00 -1.25 0.00 0.00 55.69 56.09 2fs8 s MET 39 Cb -0.03 -2.92 -0.01 0.00 2.84 0.00 0.00 34.83 34.71 2fs8 s MET 39 CO -0.04 0.34 1.01 -1.58 -0.65 0.00 0.00 175.02 174.11 2fs8 s HIS 40 N -1.51 3.50 0.00 4.11 2.46 -1.26 -0.76 115.29 121.83 2fs8 s HIS 40 Ca 0.48 1.58 0.00 0.00 0.47 0.00 0.00 55.06 57.59 2fs8 s HIS 40 Cb -0.20 -3.20 0.00 0.00 -0.13 0.00 0.00 32.58 29.05 2fs8 s HIS 40 CO 0.26 -0.26 0.00 1.97 -2.47 0.00 0.00 174.74 174.23 2fs8 n PHE 41 N 5.07 0.00 -3.51 3.88 -1.74 -1.02 -4.98 117.46 115.16 2fs8 n PHE 41 Ca 0.09 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.87 2fs8 n PHE 41 Cb 0.49 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.47 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 -0.39 0.71 3.88 0.00 0.00 0.07 -0.88 105.19 108.57 2fs8 n GLY 43 Ca -0.14 -1.99 0.01 0.00 0.00 0.00 0.00 46.02 43.90 2fs8 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fs8 n GLY 44 N 1.13 0.34 3.12 -0.02 0.00 -1.03 -3.84 105.19 104.89 2fs8 n GLY 44 Ca 0.08 -1.08 -0.12 0.00 0.00 0.00 0.00 46.02 44.91 2fs8 n GLY 44 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2fs8 s SER 45 N -3.67 -0.08 -0.28 1.61 1.04 0.29 -2.32 113.70 110.29 2fs8 s SER 45 Ca 0.27 0.03 -0.19 0.00 0.48 0.00 0.00 55.95 56.54 2fs8 s SER 45 Cb -0.01 0.28 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 2fs8 s SER 45 CO 0.01 -0.28 0.56 -0.22 0.98 0.00 0.00 173.24 174.29 2fs8 s LEU 46 N -0.90 4.11 0.00 2.42 2.96 -0.25 -0.09 118.68 126.94 2fs8 s LEU 46 Ca -0.10 0.46 0.11 0.00 -0.22 0.00 0.00 54.13 54.38 2fs8 s LEU 46 Cb -0.05 -2.72 0.07 0.00 0.50 0.00 0.00 46.19 43.99 2fs8 s LEU 46 CO 0.01 -0.37 0.81 2.30 -1.32 0.00 0.00 176.35 177.78 2fs8 n ILE 47 N 5.26 0.00 -3.56 6.68 -5.35 -0.94 -0.64 119.36 120.81 2fs8 n ILE 47 Ca -0.03 -0.47 -0.09 0.00 -0.27 0.00 0.00 62.75 61.88 2fs8 n ILE 47 Cb 0.49 1.21 -0.04 0.00 -1.74 0.00 0.00 39.64 39.56 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 -1.05 -0.34 0.57 4.28 5.04 -1.16 -4.76 115.29 117.87 2fs8 s HIS 48 Ca 0.12 0.49 0.34 0.00 -1.54 0.00 0.00 55.06 54.47 2fs8 s HIS 48 Cb 0.09 0.47 1.83 0.00 0.04 0.00 0.00 32.58 35.02 2fs8 s HIS 48 CO 0.17 -0.37 2.02 -1.35 -2.34 0.00 0.00 174.74 172.87 2fs8 h PRO 49 N 2.39 0.00 -0.00 2.88 0.11 -1.95 -2.13 132.00 133.30 2fs8 h PRO 49 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 2fs8 h PRO 49 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2fs8 h PRO 49 CO 0.30 0.00 -0.02 1.04 -0.21 0.00 0.00 178.00 179.12 2fs8 n GLN 50 N -2.86 1.07 -4.59 1.05 6.02 -1.26 -0.23 117.38 116.58 2fs8 n GLN 50 Ca -0.02 -0.44 -0.24 0.00 -0.01 0.00 0.00 57.00 56.29 2fs8 n GLN 50 Cb 0.25 -0.91 -0.14 0.00 1.02 0.00 0.00 30.24 30.46 2fs8 n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2fs8 s TRP 51 N -0.38 1.60 -0.07 1.08 0.52 -0.80 -0.68 118.94 120.22 2fs8 s TRP 51 Ca 0.01 -0.35 0.04 0.00 0.02 0.00 0.00 56.10 55.82 2fs8 s TRP 51 Cb 0.01 -0.97 -0.00 0.00 -1.15 0.00 0.00 33.47 31.37 2fs8 s TRP 51 CO 0.03 0.06 -0.20 0.08 0.02 0.00 0.00 176.95 176.94 2fs8 s VAL 52 N -0.75 1.68 -0.13 4.03 1.01 -0.05 -2.20 120.40 123.99 2fs8 s VAL 52 Ca 0.06 -0.83 -0.09 0.00 0.00 0.00 0.00 61.98 61.12 2fs8 s VAL 52 Cb -0.08 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 2fs8 s VAL 52 CO 0.01 0.48 0.17 -0.22 0.00 0.00 0.00 175.10 175.54 2fs8 s LEU 53 N 0.23 4.35 0.00 3.92 2.96 0.88 -0.67 118.68 130.34 2fs8 s LEU 53 Ca -0.11 0.47 -0.05 0.00 -0.22 0.00 0.00 54.13 54.22 2fs8 s LEU 53 Cb -0.15 -2.14 0.02 0.00 0.50 0.00 0.00 46.19 44.42 2fs8 s LEU 53 CO 0.05 0.33 0.41 1.07 -1.32 0.00 0.00 176.35 176.89 2fs8 n THR 54 N 2.39 0.00 -3.03 3.68 5.66 -0.56 -0.55 114.28 121.87 2fs8 n THR 54 Ca -0.18 -0.95 -0.38 0.00 -3.05 0.00 0.00 64.05 59.48 2fs8 n THR 54 Cb 0.54 0.69 -0.06 0.00 -1.55 0.00 0.00 70.33 69.95 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 -2.08 3.44 0.41 1.79 0.00 -1.26 -0.94 121.76 123.12 2fs8 s ALA 55 Ca 0.15 0.29 0.16 0.00 0.00 0.00 0.00 51.96 52.56 2fs8 s ALA 55 Cb -0.02 -2.90 0.97 0.00 0.00 0.00 0.00 23.12 21.17 2fs8 s ALA 55 CO 0.11 0.31 1.95 0.00 0.00 0.00 0.00 175.76 178.12 2fs8 h ALA 56 N 4.03 1.52 0.00 0.00 0.00 -1.64 -2.28 119.26 120.89 2fs8 h ALA 56 Ca -0.47 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.22 2fs8 h ALA 56 Cb 1.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2fs8 h ALA 56 CO 0.65 0.30 0.00 -2.39 0.00 0.00 0.00 179.25 177.81 2fs8 n HIS 57 N -4.14 0.05 0.12 0.00 1.44 -1.26 -0.85 115.22 110.59 2fs8 n HIS 57 Ca -0.02 0.02 -0.00 0.00 -2.01 0.00 0.00 57.72 55.70 2fs8 n HIS 57 Cb 0.30 -0.53 0.05 0.00 0.12 0.00 0.00 29.99 29.94 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 -3.38 0.00 -2.88 0.00 0.24 -1.07 -5.01 118.33 106.24 2fs8 n VAL 59 Ca 0.01 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 2fs8 n VAL 59 Cb 0.75 1.14 0.00 0.00 -1.47 0.00 0.00 33.84 34.26 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 0.16 4.95 0.01 7.63 0.00 -0.02 -4.46 105.19 113.44 2fs8 n GLY 60 Ca 0.00 -1.34 0.07 0.00 0.00 0.00 0.00 46.02 44.74 2fs8 n GLY 60 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2fs8 n PRO 60 N 0.00 0.02 -3.26 1.61 -0.04 -1.26 -4.62 135.00 127.45 2fs8 n PRO 60 Ca 0.00 0.29 -0.37 0.00 -0.04 0.00 0.00 63.50 63.38 2fs8 n PRO 60 Cb 0.00 -1.53 -0.06 0.00 -0.04 0.00 0.00 33.50 31.87 2fs8 n PRO 60 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2fs8 s ASP 60 N -3.11 6.98 0.20 3.54 1.11 -1.26 -5.03 116.67 119.09 2fs8 s ASP 60 Ca 0.06 1.24 -0.30 0.00 0.18 0.00 0.00 52.55 53.72 2fs8 s ASP 60 Cb 0.09 -2.35 -0.09 0.00 1.07 0.00 0.00 42.92 41.63 2fs8 s ASP 60 CO 0.25 0.15 1.43 0.68 1.18 0.00 0.00 175.17 178.86 2fs8 s VAL 60 N -1.35 2.88 0.29 -1.27 -7.23 -1.26 -5.00 120.40 107.46 2fs8 s VAL 60 Ca 0.36 0.69 0.07 0.00 -1.81 0.00 0.00 61.98 61.29 2fs8 s VAL 60 Cb -0.17 -3.44 -0.03 0.00 0.56 0.00 0.00 36.38 33.30 2fs8 s VAL 60 CO 0.20 0.09 0.31 -0.54 -0.31 0.00 0.00 175.10 174.85 2fs8 s LYS 60 N 0.19 3.01 -0.59 4.82 -0.14 -1.26 -5.05 119.74 120.72 2fs8 s LYS 60 Ca 0.61 -1.05 -0.25 0.00 -1.36 0.00 0.00 55.97 53.92 2fs8 s LYS 60 Cb -0.40 -2.66 0.04 0.00 -1.68 0.00 0.00 37.83 33.13 2fs8 s LYS 60 CO 0.38 0.26 1.05 0.34 -0.76 0.00 0.00 175.35 176.61 2fs8 s ASP 60 N -3.98 6.34 0.46 2.83 3.68 -1.26 -4.89 116.67 119.85 2fs8 s ASP 60 Ca 0.38 -0.29 0.31 0.00 2.13 0.00 0.00 52.55 55.07 2fs8 s ASP 60 Cb -0.08 -2.48 1.40 0.00 -1.45 0.00 0.00 42.92 40.31 2fs8 s ASP 60 CO 0.27 -1.38 1.70 -0.07 0.13 0.00 0.00 175.17 175.83 2fs8 h LEU 61 N 11.48 0.22 -1.56 -1.34 3.38 -1.94 -0.01 115.31 125.53 2fs8 h LEU 61 Ca -0.26 0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.82 2fs8 h LEU 61 Cb 1.07 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 2fs8 h LEU 61 CO 1.14 -0.04 0.35 0.00 0.09 0.00 0.00 178.44 179.98 2fs8 h ALA 62 N 1.49 1.77 -0.08 1.53 0.00 -1.90 -1.59 119.26 120.49 2fs8 h ALA 62 Ca 0.71 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.60 2fs8 h ALA 62 Cb 2.34 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.98 2fs8 h ALA 62 CO -0.24 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.17 2fs8 n ALA 63 N -2.48 2.50 -2.92 0.00 0.00 -0.02 -4.82 120.51 112.78 2fs8 n ALA 63 Ca 0.06 -0.16 -0.27 0.00 0.00 0.00 0.00 53.44 53.08 2fs8 n ALA 63 Cb 0.16 -1.03 -0.16 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.07 1.93 0.10 0.00 2.96 -0.60 -0.44 118.68 121.55 2fs8 s LEU 64 Ca 0.09 -0.37 -0.01 0.00 -0.22 0.00 0.00 54.13 53.61 2fs8 s LEU 64 Cb 0.04 -1.02 -0.04 0.00 0.50 0.00 0.00 46.19 45.67 2fs8 s LEU 64 CO 0.06 0.16 0.01 -0.13 -1.32 0.00 0.00 176.35 175.13 2fs8 s ARG 65 N 0.05 0.79 -0.07 1.98 0.52 -0.18 -4.11 118.95 117.93 2fs8 s ARG 65 Ca -0.05 -1.34 0.05 0.00 -0.52 0.00 0.00 55.73 53.87 2fs8 s ARG 65 Cb -0.12 0.19 -0.01 0.00 0.52 0.00 0.00 34.95 35.54 2fs8 s ARG 65 CO 0.03 -0.18 -0.23 0.08 0.02 0.00 0.00 175.30 175.01 2fs8 s VAL 66 N -3.96 1.93 -0.19 3.52 1.01 0.18 -0.30 120.40 122.59 2fs8 s VAL 66 Ca 0.16 -0.98 -0.03 0.00 0.00 0.00 0.00 61.98 61.14 2fs8 s VAL 66 Cb 0.08 -1.65 -0.01 0.00 0.00 0.00 0.00 36.38 34.79 2fs8 s VAL 66 CO -0.03 0.54 -0.07 -1.58 0.00 0.00 0.00 175.10 173.95 2fs8 s GLN 67 N 0.06 3.41 0.98 2.72 2.00 -0.08 -0.22 119.66 128.54 2fs8 s GLN 67 Ca -0.09 -0.63 -0.15 0.00 -2.00 0.00 0.00 55.36 52.49 2fs8 s GLN 67 Cb -0.15 -2.88 0.19 0.00 0.80 0.00 0.00 33.01 30.97 2fs8 s GLN 67 CO 0.05 -0.03 1.20 -0.51 -0.50 0.00 0.00 175.29 175.50 2fs8 s LEU 68 N 1.02 2.01 -0.01 3.68 1.43 -1.26 -1.01 118.68 124.53 2fs8 s LEU 68 Ca -0.00 0.63 -0.40 0.00 -1.03 0.00 0.00 54.13 53.33 2fs8 s LEU 68 Cb -0.15 -2.75 -0.20 0.00 0.03 0.00 0.00 46.19 43.13 2fs8 s LEU 68 CO -0.00 -2.90 1.09 -1.14 0.23 0.00 0.00 176.35 173.62 2fs8 n ARG 69 N -3.94 0.01 -4.23 1.70 0.63 -0.88 -4.75 116.66 105.20 2fs8 n ARG 69 Ca 0.11 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.88 2fs8 n ARG 69 Cb 0.60 -1.51 -0.14 0.00 0.45 0.00 0.00 32.46 31.86 2fs8 n ARG 69 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2fs8 s GLU 70 N 0.07 0.54 0.19 -0.14 2.02 -1.26 -5.04 118.70 115.09 2fs8 s GLU 70 Ca 0.91 -0.27 0.06 0.00 0.02 0.00 0.00 54.97 55.69 2fs8 s GLU 70 Cb -1.27 -0.51 0.09 0.00 0.10 0.00 0.00 34.13 32.53 2fs8 s GLU 70 CO 0.57 0.14 1.45 0.37 0.02 0.00 0.00 175.26 177.81 2fs8 h GLN 71 N 5.89 0.12 -3.55 1.61 5.75 -1.94 -3.43 115.11 119.57 2fs8 h GLN 71 Ca -0.29 -0.12 -0.33 0.00 -0.15 0.00 0.00 58.65 57.76 2fs8 h GLN 71 Cb 1.19 0.03 -0.35 0.00 1.07 0.00 0.00 27.48 29.42 2fs8 h GLN 71 CO 0.49 0.85 -0.74 -1.01 -2.65 0.00 0.00 178.83 175.78 2fs8 s HIS 72 N -3.30 0.13 0.36 3.99 3.76 -1.26 -2.49 115.29 116.48 2fs8 s HIS 72 Ca -0.02 0.11 -0.28 0.00 -0.15 0.00 0.00 55.06 54.72 2fs8 s HIS 72 Cb 0.11 -0.34 -0.12 0.00 1.11 0.00 0.00 32.58 33.35 2fs8 s HIS 72 CO 0.81 -0.12 1.39 1.28 -0.85 0.00 0.00 174.74 177.24 2fs8 n LEU 73 N 4.37 4.18 0.00 0.89 4.77 -0.53 -3.15 117.00 127.54 2fs8 n LEU 73 Ca -0.23 1.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.96 2fs8 n LEU 73 Cb 0.50 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.04 2fs8 n LEU 73 CO 0.19 -0.17 0.00 -1.22 -1.33 0.00 0.00 177.39 174.86 2fs8 n TYR 74 N 0.36 0.00 -0.01 -1.77 4.01 -1.26 -4.82 117.16 113.66 2fs8 n TYR 74 Ca 0.03 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.63 2fs8 n TYR 74 Cb 0.38 -0.19 -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 1.88 -0.46 0.00 0.00 176.86 178.28 2fs8 h TYR 75 N 0.00 0.89 -0.83 -0.72 -1.99 -1.91 -3.34 116.97 109.07 2fs8 h TYR 75 Ca 0.00 -0.37 -0.50 0.00 2.00 0.00 0.00 58.73 59.86 2fs8 h TYR 75 Cb 0.00 -0.15 -0.42 0.00 2.00 0.00 0.00 36.73 38.16 2fs8 h TYR 75 CO 0.00 1.17 -0.87 1.04 -0.00 0.00 0.00 178.16 179.51 2fs8 n GLN 79 N -3.92 3.21 -1.73 4.88 1.13 -1.26 -5.08 117.38 114.60 2fs8 n GLN 79 Ca -0.06 -4.09 -0.42 0.00 -1.94 0.00 0.00 57.00 50.50 2fs8 n GLN 79 Cb 0.70 -2.13 -0.01 0.00 0.11 0.00 0.00 30.24 28.91 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 -0.63 3.34 -2.99 1.08 9.92 -1.26 -4.93 116.55 121.08 2fs8 n ASP 80 Ca 0.36 1.19 -0.14 0.00 -0.53 0.00 0.00 54.79 55.67 2fs8 n ASP 80 Cb 0.89 -1.55 0.02 0.00 -0.64 0.00 0.00 41.12 39.84 2fs8 n ASP 80 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 2fs8 n GLN 81 N 1.02 1.00 -1.63 -1.24 -0.06 -1.26 -5.13 117.38 110.08 2fs8 n GLN 81 Ca 0.05 -2.81 -0.44 0.00 -2.00 0.00 0.00 57.00 51.80 2fs8 n GLN 81 Cb 0.37 -1.41 -0.01 0.00 -4.06 0.00 0.00 30.24 25.12 2fs8 n GLN 81 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 2fs8 n LEU 82 N 0.28 2.49 -4.19 1.69 4.77 -1.26 -4.73 117.00 116.05 2fs8 n LEU 82 Ca 0.17 1.18 -0.32 0.00 -0.03 0.00 0.00 56.01 57.01 2fs8 n LEU 82 Cb 0.68 -1.36 -0.17 0.00 -2.33 0.00 0.00 43.42 40.24 2fs8 n LEU 82 CO 0.14 -1.00 -0.55 -0.76 -1.33 0.00 0.00 177.39 173.89 2fs8 s LEU 83 N -0.07 2.07 0.63 2.23 1.43 0.70 -4.92 118.68 120.75 2fs8 s LEU 83 Ca 0.59 -0.56 -0.16 0.00 -1.03 0.00 0.00 54.13 52.97 2fs8 s LEU 83 Cb -0.66 -1.39 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 2fs8 s LEU 83 CO 0.59 0.12 1.10 -2.16 0.23 0.00 0.00 176.35 176.24 2fs8 s PRO 84 N 0.56 3.00 -0.05 1.29 0.04 -1.26 -0.65 135.00 137.92 2fs8 s PRO 84 Ca -0.14 1.39 0.02 0.00 0.04 0.00 0.00 61.00 62.31 2fs8 s PRO 84 Cb -0.17 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 2fs8 s PRO 84 CO 0.04 -1.09 -0.09 0.08 0.04 0.00 0.00 177.00 175.98 2fs8 s VAL 85 N -2.27 3.50 -0.12 -0.36 1.01 -1.26 -2.43 120.40 118.47 2fs8 s VAL 85 Ca 0.67 -0.59 0.14 0.00 0.00 0.00 0.00 61.98 62.20 2fs8 s VAL 85 Cb -0.20 -2.43 -0.20 0.00 0.00 0.00 0.00 36.38 33.56 2fs8 s VAL 85 CO 0.38 0.57 0.12 -1.54 0.00 0.00 0.00 175.10 174.63 2fs8 n SER 86 N 2.16 1.37 -3.96 3.32 3.41 0.96 -4.81 113.62 116.07 2fs8 n SER 86 Ca -0.17 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.33 2fs8 n SER 86 Cb 0.53 1.05 -0.12 0.00 -0.26 0.00 0.00 64.21 65.41 2fs8 n SER 86 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2fs8 s ARG 87 N -2.52 0.26 -0.19 4.33 0.52 -1.12 -4.99 118.95 115.23 2fs8 s ARG 87 Ca -0.07 -0.46 0.00 0.00 -0.52 0.00 0.00 55.73 54.68 2fs8 s ARG 87 Cb 0.06 0.04 0.04 0.00 0.52 0.00 0.00 34.95 35.61 2fs8 s ARG 87 CO 0.62 -0.03 -0.09 0.42 0.02 0.00 0.00 175.30 176.25 2fs8 s ILE 88 N -1.06 1.50 -0.28 1.52 1.01 -1.26 -1.22 121.20 121.41 2fs8 s ILE 88 Ca -0.11 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 59.62 2fs8 s ILE 88 Cb -0.07 -1.62 0.06 0.00 0.01 0.00 0.00 42.46 40.84 2fs8 s ILE 88 CO -0.01 0.13 -0.07 -0.63 0.00 0.00 0.00 174.94 174.37 2fs8 s ILE 89 N 1.45 2.45 -0.16 2.92 1.01 0.11 -4.99 121.20 123.99 2fs8 s ILE 89 Ca -0.01 -1.58 -0.07 0.00 0.00 0.00 0.00 60.65 58.99 2fs8 s ILE 89 Cb -0.16 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.83 2fs8 s ILE 89 CO -0.08 -0.08 0.07 -0.69 0.00 0.00 0.00 174.94 174.16 2fs8 s VAL 90 N 1.14 4.86 -0.01 2.92 1.01 -1.26 0.23 120.40 129.29 2fs8 s VAL 90 Ca -0.07 -0.02 -0.36 0.00 0.00 0.00 0.00 61.98 61.53 2fs8 s VAL 90 Cb -0.20 -3.16 -0.14 0.00 0.00 0.00 0.00 36.38 32.88 2fs8 s VAL 90 CO -0.04 0.51 1.65 1.57 0.00 0.00 0.00 175.10 178.79 2fs8 n HIS 91 N 3.06 2.10 0.25 5.22 -0.00 -1.11 -4.80 115.22 119.94 2fs8 n HIS 91 Ca -0.17 0.30 0.15 0.00 0.46 0.00 0.00 57.72 58.46 2fs8 n HIS 91 Cb 0.53 -2.53 0.82 0.00 -0.12 0.00 0.00 29.99 28.69 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 6.90 0.00 0.00 1.57 0.13 -1.93 -1.29 132.00 137.38 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 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2fs8 h PRO 92 CO 0.90 0.00 -0.13 0.94 -0.23 0.00 0.00 178.00 179.48 2fs8 n GLN 93 N -2.60 0.14 -2.70 0.86 -0.06 -1.26 -4.91 117.38 106.85 2fs8 n GLN 93 Ca -0.02 0.10 -0.40 0.00 -2.00 0.00 0.00 57.00 54.68 2fs8 n GLN 93 Cb 0.12 -1.64 -0.06 0.00 -4.06 0.00 0.00 30.24 24.60 2fs8 n GLN 93 CO 0.00 0.00 0.00 0.12 -0.20 0.00 0.00 177.06 176.98 2fs8 s PHE 94 N -3.06 3.91 0.00 3.69 5.36 -0.49 -4.84 117.98 122.54 2fs8 s PHE 94 Ca 0.11 1.88 0.00 0.00 -0.96 0.00 0.00 56.93 57.96 2fs8 s PHE 94 Cb 0.16 -3.04 0.00 0.00 -0.34 0.00 0.00 43.02 39.80 2fs8 s PHE 94 CO 0.60 0.26 0.00 0.98 -1.46 0.00 0.00 175.22 175.60 2fs8 n TYR 95 N 1.41 -0.49 -4.05 10.12 9.36 -1.26 -4.90 117.16 127.35 2fs8 n TYR 95 Ca -0.02 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.12 2fs8 n TYR 95 Cb 0.47 0.43 -0.10 0.00 -0.63 0.00 0.00 39.34 39.50 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 -1.85 0.19 0.27 2.97 -4.23 -1.26 -4.55 115.64 107.19 2fs8 s THR 96 Ca 0.00 -1.51 0.01 0.00 -1.18 0.00 0.00 61.69 59.01 2fs8 s THR 96 Cb 0.00 -1.09 0.09 0.00 1.34 0.00 0.00 72.50 72.83 2fs8 s THR 96 CO 0.00 -0.83 1.74 0.00 -0.54 0.00 0.00 174.62 174.99 2fs8 h ALA 97 N 3.66 1.11 -0.57 3.99 0.00 -1.98 -2.67 119.26 122.80 2fs8 h ALA 97 Ca -0.33 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 2fs8 h ALA 97 Cb 1.16 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2fs8 h ALA 97 CO 0.57 0.55 0.32 1.96 0.00 0.00 0.00 179.25 182.65 2fs8 h GLN 98 N 0.55 0.79 -0.12 0.00 7.50 -1.97 -2.72 115.11 119.14 2fs8 h GLN 98 Ca 0.09 -0.09 -0.00 0.00 0.50 0.00 0.00 58.65 59.15 2fs8 h GLN 98 Cb 0.57 -0.16 -0.01 0.00 0.05 0.00 0.00 27.48 27.94 2fs8 h GLN 98 CO 0.04 0.60 0.06 0.82 -1.50 0.00 0.00 178.83 178.85 2fs8 h ILE 99 N 0.77 1.11 0.00 2.54 2.04 -1.91 -3.46 117.51 118.59 2fs8 h ILE 99 Ca 0.20 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2fs8 h ILE 99 Cb 0.04 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2fs8 h ILE 99 CO -0.03 0.10 0.00 0.61 0.00 0.00 0.00 178.15 178.83 2fs8 n GLY 100 N -0.83 0.74 3.31 5.37 0.00 -1.02 -4.97 105.19 107.79 2fs8 n GLY 100 Ca -0.05 -2.13 -0.20 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.34 -2.08 4.61 0.00 -1.26 -4.40 120.51 115.04 2fs8 n ALA 101 Ca 0.00 0.25 -0.42 0.00 0.00 0.00 0.00 53.44 53.27 2fs8 n ALA 101 Cb 0.00 -4.21 -0.00 0.00 0.00 0.00 0.00 19.45 15.24 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 -2.62 5.77 -4.03 0.00 2.03 -1.26 -4.26 116.55 112.18 2fs8 n ASP 102 Ca -0.07 -3.03 -0.10 0.00 0.52 0.00 0.00 54.79 52.12 2fs8 n ASP 102 Cb 0.58 -1.49 -0.11 0.00 -0.72 0.00 0.00 41.12 39.38 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 0.67 0.27 0.10 5.18 2.07 -1.26 -3.59 121.20 124.64 2fs8 s ILE 103 Ca 0.46 -1.15 -0.25 0.00 -1.41 0.00 0.00 60.65 58.30 2fs8 s ILE 103 Cb 0.13 -0.63 0.08 0.00 0.13 0.00 0.00 42.46 42.17 2fs8 s ILE 103 CO -0.04 -0.57 0.70 0.00 -1.91 0.00 0.00 174.94 173.13 2fs8 s ALA 104 N -1.94 -1.68 -0.01 1.50 0.00 -0.12 -2.76 121.76 116.76 2fs8 s ALA 104 Ca -0.09 0.70 0.06 0.00 0.00 0.00 0.00 51.96 52.63 2fs8 s ALA 104 Cb -0.06 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.73 2fs8 s ALA 104 CO -0.02 -0.73 -0.19 -0.51 0.00 0.00 0.00 175.76 174.31 2fs8 s LEU 105 N -2.59 2.06 -0.12 0.00 1.43 0.14 -1.50 118.68 118.08 2fs8 s LEU 105 Ca 0.02 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.76 2fs8 s LEU 105 Cb -0.01 -0.99 -0.00 0.00 0.03 0.00 0.00 46.19 45.22 2fs8 s LEU 105 CO -0.11 0.22 -0.18 -0.76 0.23 0.00 0.00 176.35 175.75 2fs8 s LEU 106 N -0.57 2.38 -0.23 1.79 1.43 0.15 0.04 118.68 123.67 2fs8 s LEU 106 Ca 0.07 -0.46 -0.07 0.00 -1.03 0.00 0.00 54.13 52.64 2fs8 s LEU 106 Cb -0.08 -1.51 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 2fs8 s LEU 106 CO -0.00 0.14 0.06 -0.70 0.23 0.00 0.00 176.35 176.08 2fs8 s GLU 107 N 0.46 3.70 0.66 1.70 2.12 -0.36 -0.87 118.70 126.12 2fs8 s GLU 107 Ca -0.13 -0.46 -0.12 0.00 0.36 0.00 0.00 54.97 54.61 2fs8 s GLU 107 Cb -0.17 -3.27 -0.01 0.00 0.26 0.00 0.00 34.13 30.95 2fs8 s GLU 107 CO 0.05 -0.08 1.06 -0.51 -0.54 0.00 0.00 175.26 175.24 2fs8 s LEU 108 N 1.31 3.26 0.35 2.70 1.43 0.15 -0.02 118.68 127.86 2fs8 s LEU 108 Ca 0.05 1.68 0.26 0.00 -1.03 0.00 0.00 54.13 55.09 2fs8 s LEU 108 Cb -0.15 -4.51 0.75 0.00 0.03 0.00 0.00 46.19 42.32 2fs8 s LEU 108 CO 0.03 -1.35 1.74 -0.33 0.23 0.00 0.00 176.35 176.67 2fs8 h GLU 109 N -0.33 0.00 -3.34 1.70 5.08 -1.79 -3.41 114.58 112.49 2fs8 h GLU 109 Ca -0.45 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.77 2fs8 h GLU 109 Cb 1.21 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.25 2fs8 h GLU 109 CO 0.57 0.00 -0.43 -1.21 -1.00 0.00 0.00 179.01 176.94 2fs8 s GLU 110 N -3.26 0.51 0.59 2.33 0.41 -1.26 -5.04 118.70 112.98 2fs8 s GLU 110 Ca 0.07 -0.25 -0.17 0.00 -0.41 0.00 0.00 54.97 54.21 2fs8 s GLU 110 Cb 0.09 0.22 -0.04 0.00 -1.78 0.00 0.00 34.13 32.62 2fs8 s GLU 110 CO 0.59 -0.12 1.10 -1.25 -0.49 0.00 0.00 175.26 175.08 2fs8 s PRO 111 N -1.18 3.20 0.02 0.39 0.04 -1.26 -4.77 135.00 131.44 2fs8 s PRO 111 Ca -0.13 1.41 -0.01 0.00 0.04 0.00 0.00 61.00 62.31 2fs8 s PRO 111 Cb -0.06 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 2fs8 s PRO 111 CO 0.02 -0.94 0.19 0.14 0.04 0.00 0.00 177.00 176.45 2fs8 s VAL 112 N -2.16 5.37 -0.15 -0.36 -7.23 0.68 -4.97 120.40 111.58 2fs8 s VAL 112 Ca 0.68 -0.27 -0.29 0.00 -1.81 0.00 0.00 61.98 60.28 2fs8 s VAL 112 Cb -0.20 -3.55 -0.01 0.00 0.56 0.00 0.00 36.38 33.18 2fs8 s VAL 112 CO 0.34 0.25 1.05 -0.54 -0.31 0.00 0.00 175.10 175.89 2fs8 s LYS 113 N -2.17 4.34 0.37 4.82 -0.14 -1.26 -4.80 119.74 120.90 2fs8 s LYS 113 Ca 0.30 1.42 -0.14 0.00 -1.36 0.00 0.00 55.97 56.19 2fs8 s LYS 113 Cb -0.13 -3.59 -0.08 0.00 -1.68 0.00 0.00 37.83 32.35 2fs8 s LYS 113 CO 0.22 -0.47 0.78 0.08 -0.76 0.00 0.00 175.35 175.20 2fs8 s VAL 114 N 2.57 4.67 0.01 3.17 1.01 -1.26 -4.93 120.40 125.64 2fs8 s VAL 114 Ca 0.48 0.92 -0.00 0.00 0.00 0.00 0.00 61.98 63.38 2fs8 s VAL 114 Cb -0.18 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.56 2fs8 s VAL 114 CO 0.14 -0.32 0.03 -1.54 0.00 0.00 0.00 175.10 173.41 2fs8 n SER 115 N -0.71 -0.08 0.15 3.32 3.41 0.18 -4.99 113.62 114.91 2fs8 n SER 115 Ca 0.04 -1.06 0.01 0.00 -0.26 0.00 0.00 58.87 57.60 2fs8 n SER 115 Cb 0.53 0.13 0.23 0.00 -0.26 0.00 0.00 64.21 64.85 2fs8 n SER 115 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2fs8 h SER 116 N 0.07 0.00 1.10 4.04 0.02 -2.01 -3.08 113.55 113.69 2fs8 h SER 116 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2fs8 h SER 116 Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2fs8 h SER 116 CO 0.01 0.53 -0.89 -0.74 -1.14 0.00 0.00 176.83 174.61 2fs8 h HIS 117 N 0.00 0.00 -2.01 3.45 -0.00 -1.94 -3.45 115.15 111.20 2fs8 h HIS 117 Ca -0.01 0.00 -0.20 0.00 -0.00 0.00 0.00 60.37 60.17 2fs8 h HIS 117 Cb 1.02 0.00 -0.31 0.00 -0.00 0.00 0.00 27.41 28.12 2fs8 h HIS 117 CO 0.00 0.00 -0.52 0.54 -0.00 0.00 0.00 177.93 177.95 2fs8 s VAL 118 N -3.34 -0.54 0.29 5.26 0.11 -1.17 -4.52 120.40 116.49 2fs8 s VAL 118 Ca 0.00 -0.13 -0.11 0.00 -2.93 0.00 0.00 61.98 58.82 2fs8 s VAL 118 Cb 0.09 -0.82 0.00 0.00 -1.53 0.00 0.00 36.38 34.13 2fs8 s VAL 118 CO 0.78 -0.18 0.52 -1.38 -3.33 0.00 0.00 175.10 171.50 2fs8 s HIS 119 N 2.49 0.51 0.69 1.54 -0.00 -1.12 -0.64 115.29 118.76 2fs8 s HIS 119 Ca 0.11 -0.87 -0.11 0.00 -0.00 0.00 0.00 55.06 54.19 2fs8 s HIS 119 Cb -0.15 0.20 0.01 0.00 -0.00 0.00 0.00 32.58 32.64 2fs8 s HIS 119 CO -0.18 -1.10 1.06 0.95 -0.00 0.00 0.00 174.74 175.48 2fs8 s THR 120 N -3.58 3.90 0.06 -5.38 -4.23 -1.26 -3.11 115.64 102.04 2fs8 s THR 120 Ca 0.24 0.65 -0.00 0.00 -1.18 0.00 0.00 61.69 61.40 2fs8 s THR 120 Cb -0.01 -3.33 -0.04 0.00 1.34 0.00 0.00 72.50 70.46 2fs8 s THR 120 CO 0.12 -0.77 0.21 0.54 -0.54 0.00 0.00 174.62 174.19 2fs8 s VAL 121 N -2.94 5.39 -0.07 2.29 0.11 0.18 -4.87 120.40 120.49 2fs8 s VAL 121 Ca 0.59 -0.38 -0.24 0.00 -2.93 0.00 0.00 61.98 59.03 2fs8 s VAL 121 Cb -0.15 -3.63 -0.04 0.00 -1.53 0.00 0.00 36.38 31.04 2fs8 s VAL 121 CO 0.53 0.14 0.71 -0.89 -3.33 0.00 0.00 175.10 172.25 2fs8 s THR 122 N -1.51 5.04 0.42 5.04 2.01 -1.25 -4.67 115.64 120.72 2fs8 s THR 122 Ca 0.35 1.46 -0.22 0.00 0.31 0.00 0.00 61.69 63.59 2fs8 s THR 122 Cb -0.13 -4.05 -0.10 0.00 0.01 0.00 0.00 72.50 68.23 2fs8 s THR 122 CO 0.28 0.25 0.97 -0.76 -0.69 0.00 0.00 174.62 174.66 2fs8 s LEU 123 N 0.82 4.01 0.51 4.42 1.02 -1.26 -2.06 118.68 126.13 2fs8 s LEU 123 Ca 0.38 1.76 -0.17 0.00 0.02 0.00 0.00 54.13 56.12 2fs8 s LEU 123 Cb -0.18 -4.43 -0.08 0.00 0.02 0.00 0.00 46.19 41.52 2fs8 s LEU 123 CO 0.18 -0.37 0.99 -2.16 0.02 0.00 0.00 176.35 175.02 2fs8 s PRO 124 N -2.96 3.89 0.60 1.29 0.04 -1.26 -4.86 135.00 131.74 2fs8 s PRO 124 Ca 0.60 1.04 -0.17 0.00 0.04 0.00 0.00 61.00 62.52 2fs8 s PRO 124 Cb -0.12 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 32.26 2fs8 s PRO 124 CO 0.16 -0.33 1.10 -1.25 0.04 0.00 0.00 177.00 176.73 2fs8 s PRO 125 N -3.89 3.13 0.64 0.56 0.04 -1.26 -4.89 135.00 129.33 2fs8 s PRO 125 Ca 0.61 1.42 0.30 0.00 0.04 0.00 0.00 61.00 63.36 2fs8 s PRO 125 Cb -0.11 -1.99 1.61 0.00 0.04 0.00 0.00 34.50 34.05 2fs8 s PRO 125 CO 0.29 -0.99 1.94 0.00 0.04 0.00 0.00 177.00 178.28 2fs8 h ALA 126 N 0.56 1.60 -0.01 8.56 0.00 -1.96 -2.23 119.26 125.77 2fs8 h ALA 126 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2fs8 h ALA 126 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2fs8 h ALA 126 CO 0.56 -0.42 -0.31 -1.13 0.00 0.00 0.00 179.25 177.94 2fs8 n SER 127 N -3.20 1.48 -4.70 0.00 3.41 -1.26 -4.94 113.62 104.41 2fs8 n SER 127 Ca 0.01 -1.19 -0.42 0.00 -0.26 0.00 0.00 58.87 57.01 2fs8 n SER 127 Cb 0.44 0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 64.61 2fs8 n SER 127 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2fs8 s GLU 128 N -2.45 4.22 -0.09 4.33 2.56 -0.84 -4.93 118.70 121.50 2fs8 s GLU 128 Ca 0.23 2.25 0.19 0.00 0.00 0.00 0.00 54.97 57.64 2fs8 s GLU 128 Cb 0.19 -3.49 -0.28 0.00 2.00 0.00 0.00 34.13 32.55 2fs8 s GLU 128 CO 0.52 -0.66 0.28 0.25 -0.56 0.00 0.00 175.26 175.09 2fs8 n THR 129 N 4.53 0.55 -3.20 -1.70 -2.24 -1.26 -4.94 114.28 106.02 2fs8 n THR 129 Ca 0.15 -0.60 -0.05 0.00 -2.27 0.00 0.00 64.05 61.27 2fs8 n THR 129 Cb 0.41 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 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 -2.41 -2.82 -2.18 4.78 3.72 -1.26 -4.95 117.46 112.34 2fs8 n PHE 130 Ca -0.15 1.09 -0.33 0.00 -0.05 0.00 0.00 57.45 58.01 2fs8 n PHE 130 Cb 0.78 -3.85 -0.00 0.00 -0.94 0.00 0.00 39.48 35.47 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 -3.36 3.49 0.98 -1.08 0.04 -1.26 -4.95 135.00 128.86 2fs8 s PRO 131 Ca 0.01 1.20 -0.14 0.00 0.04 0.00 0.00 61.00 62.11 2fs8 s PRO 131 Cb -0.00 -2.06 0.04 0.00 0.04 0.00 0.00 34.50 32.52 2fs8 s PRO 131 CO 0.78 -0.67 0.28 -0.35 0.04 0.00 0.00 177.00 177.08 2fs8 n PRO 132 N -1.77 -0.51 0.00 0.56 -0.04 -1.26 -2.85 135.00 129.13 2fs8 n PRO 132 Ca 0.09 -0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 2fs8 n PRO 132 Cb 0.53 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 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 1.67 2.33 3.58 0.55 0.00 -1.24 -4.97 105.19 107.10 2fs8 n GLY 133 Ca 0.05 -0.44 -0.49 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 1.62 -2.30 1.61 0.00 -1.13 -4.88 117.12 112.04 2fs8 n MET 134 Ca 0.00 0.52 -0.41 0.00 0.00 0.00 0.00 57.70 57.82 2fs8 n MET 134 Cb 0.00 -2.63 -0.03 0.00 0.00 0.00 0.00 33.22 30.56 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 5.29 4.50 0.26 2.12 0.02 -1.26 -4.44 135.00 141.48 2fs8 s PRO 135 Ca 1.01 2.00 0.01 0.00 0.02 0.00 0.00 61.00 64.04 2fs8 s PRO 135 Cb -0.73 -3.15 -0.05 0.00 0.02 0.00 0.00 34.50 30.60 2fs8 s PRO 135 CO 0.49 -0.01 0.10 0.00 -0.33 0.00 0.00 177.00 177.25 2fs8 s TRP 137 N -3.75 0.85 -0.01 0.00 0.52 0.04 -1.60 118.94 114.99 2fs8 s TRP 137 Ca 0.38 -0.45 0.06 0.00 0.02 0.00 0.00 56.10 56.10 2fs8 s TRP 137 Cb 0.08 -0.50 -0.02 0.00 -1.15 0.00 0.00 33.47 31.88 2fs8 s TRP 137 CO 0.14 -0.03 -0.20 0.54 0.02 0.00 0.00 176.95 177.42 2fs8 s VAL 138 N -1.24 1.55 0.11 4.03 0.11 -0.47 -0.78 120.40 123.71 2fs8 s VAL 138 Ca -0.06 -0.84 0.05 0.00 -2.93 0.00 0.00 61.98 58.19 2fs8 s VAL 138 Cb -0.09 -1.29 -0.04 0.00 -1.53 0.00 0.00 36.38 33.43 2fs8 s VAL 138 CO 0.01 0.44 -0.12 0.42 -3.33 0.00 0.00 175.10 172.52 2fs8 s THR 139 N -0.46 1.15 0.00 5.04 -4.23 -1.21 -1.72 115.64 114.21 2fs8 s THR 139 Ca 0.08 -1.69 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 2fs8 s THR 139 Cb -0.08 -1.47 0.00 0.00 1.34 0.00 0.00 72.50 72.30 2fs8 s THR 139 CO -0.01 -0.49 0.00 0.61 -0.54 0.00 0.00 174.62 174.19 2fs8 n GLY 140 N 0.52 -0.87 1.10 3.99 0.00 -0.81 -4.43 105.19 104.68 2fs8 n GLY 140 Ca -0.15 -1.25 -0.01 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.77 1.12 -1.61 1.61 8.01 -1.26 -1.77 117.44 122.76 2fs8 n TRP 141 Ca 0.00 -1.36 -0.30 0.00 -1.31 0.00 0.00 57.50 54.53 2fs8 n TRP 141 Cb 0.00 -0.45 0.22 0.00 -2.01 0.00 0.00 31.31 29.07 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 -2.28 1.72 0.61 6.99 0.00 -1.25 -4.72 107.32 108.39 2fs8 s GLY 142 Ca 0.44 -1.19 -0.18 0.00 0.00 0.00 0.00 44.72 43.79 2fs8 s GLY 142 CO 0.03 -0.33 1.06 1.22 0.00 0.00 0.00 173.10 175.08 2fs8 n ASP 143 N -4.22 1.14 -0.54 1.64 8.00 0.13 -2.85 116.55 119.86 2fs8 n ASP 143 Ca 0.16 0.82 0.13 0.00 0.71 0.00 0.00 54.79 56.60 2fs8 n ASP 143 Cb 0.59 -1.44 0.45 0.00 -0.02 0.00 0.00 41.12 40.71 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 -1.75 0.08 -3.59 2.53 0.24 0.36 -1.14 118.33 115.07 2fs8 n VAL 144 Ca 0.14 -0.30 0.04 0.00 -2.04 0.00 0.00 64.34 62.17 2fs8 n VAL 144 Cb 0.47 0.51 0.00 0.00 -1.47 0.00 0.00 33.84 33.35 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 -1.84 -0.01 -0.01 -1.34 3.68 -1.22 -4.43 116.67 111.50 2fs8 s ASP 145 Ca 0.36 -0.02 -0.32 0.00 2.13 0.00 0.00 52.55 54.69 2fs8 s ASP 145 Cb 0.20 0.02 -0.11 0.00 -1.45 0.00 0.00 42.92 41.58 2fs8 s ASP 145 CO 0.31 -0.04 1.89 0.59 0.13 0.00 0.00 175.17 178.05 2fs8 n ASN 146 N -0.53 3.73 -1.52 -0.34 4.13 -1.26 -1.15 115.26 118.33 2fs8 n ASN 146 Ca -0.09 0.96 -0.18 0.00 1.68 0.00 0.00 54.58 56.95 2fs8 n ASN 146 Cb 0.64 -1.44 -0.06 0.00 -1.54 0.00 0.00 39.78 37.37 2fs8 n ASN 146 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2fs8 n ASP 147 N 6.66 -5.20 -3.96 6.41 8.00 -1.26 -4.97 116.55 122.23 2fs8 n ASP 147 Ca 0.21 0.36 -0.31 0.00 0.71 0.00 0.00 54.79 55.76 2fs8 n ASP 147 Cb 0.34 -4.29 -0.15 0.00 -0.02 0.00 0.00 41.12 37.00 2fs8 n ASP 147 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2fs8 s GLU 149 N -3.79 1.40 0.64 -1.24 2.12 -0.30 -5.09 118.70 112.43 2fs8 s GLU 149 Ca 0.00 -1.62 -0.17 0.00 0.36 0.00 0.00 54.97 53.53 2fs8 s GLU 149 Cb 0.00 -2.91 -0.01 0.00 0.26 0.00 0.00 34.13 31.47 2fs8 s GLU 149 CO 0.00 -0.90 1.21 1.03 -0.54 0.00 0.00 175.26 176.06 2fs8 s ARG 150 N 1.09 2.69 0.00 4.30 1.81 -1.26 -0.49 118.95 127.09 2fs8 s ARG 150 Ca 0.08 1.81 0.00 0.00 -1.72 0.00 0.00 55.73 55.90 2fs8 s ARG 150 Cb -0.19 -1.89 0.00 0.00 -0.45 0.00 0.00 34.95 32.42 2fs8 s ARG 150 CO -0.11 -1.42 0.00 -0.11 -0.68 0.00 0.00 175.30 172.98 2fs8 n LEU 151 N -1.98 0.00 -0.64 2.53 7.94 -1.26 -4.56 117.00 119.03 2fs8 n LEU 151 Ca 0.14 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.04 2fs8 n LEU 151 Cb 0.50 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.45 2fs8 n LEU 151 CO 0.46 -0.54 0.00 -0.81 -1.11 0.00 0.00 177.39 175.38 2fs8 n PRO 152 N -0.60 0.00 -3.17 1.96 -0.04 -1.26 -5.02 135.00 126.87 2fs8 n PRO 152 Ca 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.40 2fs8 n PRO 152 Cb 0.00 -0.40 0.01 0.00 -0.04 0.00 0.00 33.50 33.07 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 0.12 -2.79 -2.78 0.54 3.72 -1.26 -3.83 117.46 111.18 2fs8 n PHE 153 Ca 0.00 1.04 -0.32 0.00 -0.05 0.00 0.00 57.45 58.12 2fs8 n PHE 153 Cb 0.00 -3.98 -0.06 0.00 -0.94 0.00 0.00 39.48 34.50 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 -3.49 4.08 0.03 -1.08 0.04 -1.26 -1.45 135.00 131.87 2fs8 s PRO 154 Ca 0.09 0.94 -0.30 0.00 0.04 0.00 0.00 61.00 61.76 2fs8 s PRO 154 Cb -0.02 -2.24 -0.06 0.00 0.04 0.00 0.00 34.50 32.23 2fs8 s PRO 154 CO 0.76 -0.05 1.34 -1.17 0.04 0.00 0.00 177.00 177.92 2fs8 s LEU 155 N -3.41 4.33 0.26 -3.56 2.96 -1.04 -4.78 118.68 113.45 2fs8 s LEU 155 Ca 0.59 2.11 0.08 0.00 -0.22 0.00 0.00 54.13 56.69 2fs8 s LEU 155 Cb -0.10 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 2fs8 s LEU 155 CO 0.20 -0.64 0.12 -0.54 -1.32 0.00 0.00 176.35 174.16 2fs8 s LYS 156 N 1.86 2.65 0.06 1.98 1.02 -0.73 -0.66 119.74 125.91 2fs8 s LYS 156 Ca 0.62 -1.22 0.01 0.00 0.02 0.00 0.00 55.97 55.40 2fs8 s LYS 156 Cb -0.31 -2.39 -0.03 0.00 -0.52 0.00 0.00 37.83 34.58 2fs8 s LYS 156 CO 0.27 0.37 -0.06 1.14 -0.92 0.00 0.00 175.35 176.15 2fs8 s GLN 157 N -3.78 0.63 -0.25 1.68 -2.07 -0.83 -1.93 119.66 113.11 2fs8 s GLN 157 Ca 0.33 -1.02 -0.24 0.00 -1.82 0.00 0.00 55.36 52.61 2fs8 s GLN 157 Cb -0.07 -0.15 0.07 0.00 -1.09 0.00 0.00 33.01 31.77 2fs8 s GLN 157 CO 0.23 -0.01 0.68 0.54 -1.32 0.00 0.00 175.29 175.41 2fs8 s VAL 158 N -2.58 0.00 -0.24 3.63 0.11 -0.70 -2.47 120.40 118.15 2fs8 s VAL 158 Ca -0.00 -0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 58.81 2fs8 s VAL 158 Cb -0.02 -0.95 -0.01 0.00 -1.53 0.00 0.00 36.38 33.88 2fs8 s VAL 158 CO -0.03 -0.00 0.80 -0.75 -3.33 0.00 0.00 175.10 171.79 2fs8 s LYS 159 N 0.34 4.18 -0.08 1.54 2.20 -1.26 -1.37 119.74 125.30 2fs8 s LYS 159 Ca -0.00 0.90 0.03 0.00 -0.36 0.00 0.00 55.97 56.54 2fs8 s LYS 159 Cb -0.05 -3.64 -0.01 0.00 -1.51 0.00 0.00 37.83 32.62 2fs8 s LYS 159 CO 0.01 -0.49 -0.19 0.14 -0.36 0.00 0.00 175.35 174.46 2fs8 s VAL 160 N 2.74 2.56 0.00 4.02 -7.23 -0.63 -4.91 120.40 116.95 2fs8 s VAL 160 Ca 0.34 -0.87 -0.30 0.00 -1.81 0.00 0.00 61.98 59.34 2fs8 s VAL 160 Cb -0.15 -2.00 -0.05 0.00 0.56 0.00 0.00 36.38 34.74 2fs8 s VAL 160 CO 0.08 0.56 1.24 -2.16 -0.31 0.00 0.00 175.10 174.51 2fs8 s PRO 161 N -0.07 4.37 0.09 4.82 0.04 -1.26 -3.70 135.00 139.29 2fs8 s PRO 161 Ca -0.05 1.77 -0.25 0.00 0.04 0.00 0.00 61.00 62.52 2fs8 s PRO 161 Cb -0.14 -3.47 -0.07 0.00 0.04 0.00 0.00 34.50 30.86 2fs8 s PRO 161 CO 0.04 -0.40 0.75 0.42 0.04 0.00 0.00 177.00 177.86 2fs8 s ILE 162 N 1.79 4.59 0.14 0.56 1.01 -1.26 -1.48 121.20 126.54 2fs8 s ILE 162 Ca 0.59 1.63 0.07 0.00 0.00 0.00 0.00 60.65 62.93 2fs8 s ILE 162 Cb -0.28 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 2fs8 s ILE 162 CO 0.26 0.44 -0.16 -0.04 0.00 0.00 0.00 174.94 175.44 2fs8 s MET 163 N -0.56 1.12 0.49 2.79 -1.94 -0.85 -3.64 119.30 116.71 2fs8 s MET 163 Ca 0.37 -1.29 -0.24 0.00 -1.71 0.00 0.00 55.69 52.82 2fs8 s MET 163 Cb -0.21 -1.10 -0.07 0.00 2.01 0.00 0.00 34.83 35.45 2fs8 s MET 163 CO 0.24 0.22 1.38 -1.21 -0.01 0.00 0.00 175.02 175.64 2fs8 s GLU 164 N -2.64 3.49 0.26 2.03 2.02 -1.26 -4.39 118.70 118.21 2fs8 s GLU 164 Ca 0.11 2.30 -0.02 0.00 0.02 0.00 0.00 54.97 57.38 2fs8 s GLU 164 Cb -0.06 -2.49 0.53 0.00 0.10 0.00 0.00 34.13 32.21 2fs8 s GLU 164 CO 0.04 -0.93 1.73 -0.91 0.02 0.00 0.00 175.26 175.21 2fs8 h ASN 165 N 1.99 0.32 0.75 -0.19 -0.26 -1.94 -0.79 115.58 115.47 2fs8 h ASN 165 Ca -0.51 0.12 -0.04 0.00 -0.56 0.00 0.00 56.30 55.31 2fs8 h ASN 165 Cb 1.28 0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 38.62 2fs8 h ASN 165 CO 0.60 0.10 -0.17 1.12 -1.06 0.00 0.00 177.43 178.01 2fs8 h HIS 166 N 0.46 0.00 -0.14 1.19 2.07 -1.92 -0.88 115.15 115.93 2fs8 h HIS 166 Ca 0.45 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.92 2fs8 h HIS 166 Cb 0.72 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.70 2fs8 h HIS 166 CO -0.15 0.17 -0.14 0.82 -3.07 0.00 0.00 177.93 175.56 2fs8 h ILE 167 N 0.00 1.35 -0.55 6.12 1.08 -1.51 -2.26 117.51 121.74 2fs8 h ILE 167 Ca -0.00 -1.30 -0.08 0.00 -0.39 0.00 0.00 64.86 63.09 2fs8 h ILE 167 Cb 0.60 1.89 -0.02 0.00 -3.07 0.00 0.00 36.82 36.22 2fs8 h ILE 167 CO 0.02 0.38 0.04 0.00 -0.69 0.00 0.00 178.15 177.90 2fs8 h ASP 169 N 0.83 0.77 -0.65 0.00 3.58 -1.13 -0.76 116.42 119.06 2fs8 h ASP 169 Ca 0.16 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.58 2fs8 h ASP 169 Cb 0.49 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.35 2fs8 h ASP 169 CO 0.02 0.52 0.27 0.00 -2.88 0.00 0.00 179.24 177.18 2fs8 h ALA 170 N 1.34 0.84 0.00 -0.78 0.00 -1.24 -2.64 119.26 116.77 2fs8 h ALA 170 Ca 0.31 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 2fs8 h ALA 170 Cb 0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2fs8 h ALA 170 CO -0.13 0.44 -0.33 0.87 0.00 0.00 0.00 179.25 180.10 2fs8 h LYS 171 N 0.91 0.00 0.00 0.00 1.57 -0.76 -2.39 116.57 115.89 2fs8 h LYS 171 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2fs8 h LYS 171 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2fs8 h LYS 171 CO -0.02 0.33 0.00 1.88 -0.57 0.00 0.00 179.45 181.07 2fs8 h TYR 172 N 0.00 0.00 0.00 -1.35 -1.99 -0.80 -2.43 116.97 110.39 2fs8 h TYR 172 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2fs8 h TYR 172 Cb 0.75 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.48 2fs8 h TYR 172 CO 0.00 0.00 -0.45 0.72 -0.00 0.00 0.00 178.16 178.43 2fs8 n HIS 173 N -2.74 0.22 -2.42 4.88 8.25 -0.91 -4.67 115.22 117.83 2fs8 n HIS 173 Ca 0.02 0.06 -0.42 0.00 -0.26 0.00 0.00 57.72 57.12 2fs8 n HIS 173 Cb 0.34 -0.44 -0.03 0.00 1.12 0.00 0.00 29.99 30.98 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 -3.46 4.27 -0.11 2.41 1.43 -0.92 -2.67 118.68 119.64 2fs8 s LEU 173 Ca 0.10 1.84 0.00 0.00 -1.03 0.00 0.00 54.13 55.04 2fs8 s LEU 173 Cb 0.16 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.83 2fs8 s LEU 173 CO 0.68 -0.63 0.00 0.61 0.23 0.00 0.00 176.35 177.24 2fs8 n GLY 173 N 3.45 0.42 3.26 -3.19 0.00 -1.26 -5.04 105.19 102.83 2fs8 n GLY 173 Ca 0.12 -0.98 -0.15 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.04 1.51 -0.40 4.61 0.00 -1.09 -5.04 121.76 119.31 2fs8 s ALA 173 Ca 0.00 -1.47 0.23 0.00 0.00 0.00 0.00 51.96 50.73 2fs8 s ALA 173 Cb 0.00 0.01 0.17 0.00 0.00 0.00 0.00 23.12 23.31 2fs8 s ALA 173 CO 0.00 -0.04 1.23 1.88 0.00 0.00 0.00 175.76 178.83 2fs8 h TYR 173 N 2.90 0.00 -2.23 0.00 0.05 -1.96 -3.47 116.97 112.27 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 1.20 0.00 0.05 0.00 1.01 0.00 0.00 36.73 38.99 2fs8 h TYR 173 CO 0.66 0.00 0.80 2.41 -1.05 0.00 0.00 178.16 180.98 2fs8 n THR 173 N -2.58 0.04 0.00 -2.88 -1.04 -1.26 -5.17 114.28 101.39 2fs8 n THR 173 Ca 0.02 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 2fs8 n THR 173 Cb 0.51 -1.52 0.00 0.00 -1.82 0.00 0.00 70.33 67.50 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 3.43 -3.11 0.00 3.41 0.00 -1.26 -4.93 105.19 102.73 2fs8 n GLY 173 Ca 0.17 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -4.39 1.61 8.00 -1.26 -4.71 116.55 115.80 2fs8 n ASP 173 Ca 0.00 0.00 -0.45 0.00 0.71 0.00 0.00 54.79 55.05 2fs8 n ASP 173 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 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 4.84 0.09 2.53 1.01 -1.26 -5.01 120.40 122.59 2fs8 s VAL 173 Ca 0.00 -1.22 -0.32 0.00 0.00 0.00 0.00 61.98 60.44 2fs8 s VAL 173 Cb 0.00 -4.57 -0.11 0.00 0.00 0.00 0.00 36.38 31.70 2fs8 s VAL 173 CO 0.00 -1.23 1.82 -1.14 0.00 0.00 0.00 175.10 174.55 2fs8 n ARG 174 N 6.25 2.60 -0.08 2.72 0.63 -1.26 -4.93 116.66 122.59 2fs8 n ARG 174 Ca 0.01 0.95 -0.08 0.00 -0.92 0.00 0.00 57.85 57.80 2fs8 n ARG 174 Cb 0.45 -2.82 -0.03 0.00 0.45 0.00 0.00 32.46 30.51 2fs8 n ARG 174 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 2fs8 n ILE 175 N 4.65 1.46 -2.47 5.15 5.41 -1.26 -4.75 119.36 127.54 2fs8 n ILE 175 Ca 0.19 0.15 -0.41 0.00 1.00 0.00 0.00 62.75 63.68 2fs8 n ILE 175 Cb 0.35 -2.34 -0.03 0.00 -0.71 0.00 0.00 39.64 36.91 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 -2.56 3.78 0.89 1.39 1.01 -1.26 -5.00 120.40 118.65 2fs8 s VAL 176 Ca -0.23 0.59 -0.13 0.00 0.00 0.00 0.00 61.98 62.21 2fs8 s VAL 176 Cb 0.04 -4.66 0.13 0.00 0.00 0.00 0.00 36.38 31.89 2fs8 s VAL 176 CO 0.34 -1.46 1.20 -0.13 0.00 0.00 0.00 175.10 175.04 2fs8 s ARG 177 N 5.59 1.30 0.35 2.72 0.52 -1.26 -4.86 118.95 123.30 2fs8 s ARG 177 Ca 0.44 0.04 0.15 0.00 -0.52 0.00 0.00 55.73 55.84 2fs8 s ARG 177 Cb -0.09 -1.88 0.61 0.00 0.52 0.00 0.00 34.95 34.11 2fs8 s ARG 177 CO 0.21 -2.04 1.73 -0.44 0.02 0.00 0.00 175.30 174.77 2fs8 h ASP 178 N -1.38 0.00 -0.13 0.23 3.32 -1.98 -2.31 116.42 114.17 2fs8 h ASP 178 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 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 0.45 0.00 -0.90 -1.72 0.00 0.00 179.24 177.64 2fs8 n ASP 179 N -3.76 1.07 -4.69 6.45 5.75 -1.26 -4.81 116.55 115.31 2fs8 n ASP 179 Ca -0.01 -2.05 -0.24 0.00 -0.01 0.00 0.00 54.79 52.48 2fs8 n ASP 179 Cb 0.51 -0.22 -0.08 0.00 -1.03 0.00 0.00 41.12 40.30 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 -1.67 2.21 0.01 0.11 -1.94 -0.87 0.03 119.30 117.18 2fs8 s MET 180 Ca 0.10 -1.71 0.00 0.00 -1.71 0.00 0.00 55.69 52.37 2fs8 s MET 180 Cb 0.06 -2.02 -0.01 0.00 2.01 0.00 0.00 34.83 34.87 2fs8 s MET 180 CO 0.05 0.06 -0.02 -1.17 -0.01 0.00 0.00 175.02 173.94 2fs8 s LEU 181 N -3.80 2.11 -0.08 -0.03 0.20 0.22 -4.56 118.68 112.74 2fs8 s LEU 181 Ca 0.37 -0.23 0.05 0.00 0.69 0.00 0.00 54.13 55.01 2fs8 s LEU 181 Cb 0.00 0.04 -0.00 0.00 -0.43 0.00 0.00 46.19 45.79 2fs8 s LEU 181 CO 0.21 -0.13 -0.24 0.00 -0.29 0.00 0.00 176.35 175.89 2fs8 s ALA 183 N 0.11 -0.97 0.00 0.00 0.00 -0.83 -2.02 121.76 118.05 2fs8 s ALA 183 Ca -0.12 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.81 2fs8 s ALA 183 Cb -0.16 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.68 2fs8 s ALA 183 CO 0.07 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 175.57 2fs8 n GLY 184 N -0.25 1.28 0.00 0.00 0.00 -0.55 -1.44 105.19 104.23 2fs8 n GLY 184 Ca -0.16 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.17 0.00 0.00 1.61 2.04 0.37 -4.62 115.26 114.50 2fs8 n ASN 185 Ca 0.00 -0.45 0.07 0.00 -0.44 0.00 0.00 54.58 53.76 2fs8 n ASN 185 Cb 0.00 0.00 0.33 0.00 -2.53 0.00 0.00 39.78 37.58 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 0.68 0.00 5.53 -2.24 -1.26 -2.93 114.28 114.06 2fs8 n THR 186 Ca 0.00 0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 2fs8 n THR 186 Cb 0.00 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 67.28 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 -1.31 2.90 -3.77 -0.78 1.74 -1.26 -4.80 116.66 109.38 2fs8 n ARG 187 Ca 0.06 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.91 2fs8 n ARG 187 Cb 0.11 -0.76 -0.18 0.00 -1.02 0.00 0.00 32.46 30.61 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 -1.48 0.58 0.01 5.56 0.52 -1.15 -3.53 118.95 119.47 2fs8 s ARG 188 Ca 0.00 0.12 -0.29 0.00 -0.52 0.00 0.00 55.73 55.04 2fs8 s ARG 188 Cb 0.00 -0.95 0.10 0.00 0.52 0.00 0.00 34.95 34.62 2fs8 s ARG 188 CO 0.00 -0.30 1.06 0.34 0.02 0.00 0.00 175.30 176.42 2fs8 s ASP 189 N 1.98 -0.19 0.51 0.23 2.15 -0.96 -0.47 116.67 119.92 2fs8 s ASP 189 Ca 0.05 -0.17 0.00 0.00 0.43 0.00 0.00 52.55 52.86 2fs8 s ASP 189 Cb -0.12 0.33 0.02 0.00 -0.30 0.00 0.00 42.92 42.84 2fs8 s ASP 189 CO -0.05 -0.57 0.74 -0.94 -0.17 0.00 0.00 175.17 174.17 2fs8 s SER 190 N -2.71 5.53 0.25 -0.34 1.04 -1.26 0.11 113.70 116.32 2fs8 s SER 190 Ca 0.10 0.16 -0.00 0.00 0.48 0.00 0.00 55.95 56.70 2fs8 s SER 190 Cb 0.00 -1.21 0.00 0.00 0.10 0.00 0.00 66.02 64.91 2fs8 s SER 190 CO -0.03 -0.95 0.33 0.00 0.98 0.00 0.00 173.24 173.56 2fs8 n GLN 192 N -0.42 1.48 0.00 0.00 3.00 -1.26 -1.10 117.38 119.08 2fs8 n GLN 192 Ca 0.01 0.54 0.00 0.00 -0.01 0.00 0.00 57.00 57.54 2fs8 n GLN 192 Cb 0.42 -2.24 0.00 0.00 0.00 0.00 0.00 30.24 28.42 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 3.36 2.10 0.02 1.08 0.00 -1.26 0.22 105.19 110.71 2fs8 n GLY 193 Ca 0.21 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.34 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 0.30 -4.53 1.61 8.00 -0.26 -3.80 116.55 117.88 2fs8 n ASP 194 Ca 0.00 -0.15 -0.45 0.00 0.71 0.00 0.00 54.79 54.90 2fs8 n ASP 194 Cb 0.00 1.58 -0.01 0.00 -0.02 0.00 0.00 41.12 42.67 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 -2.15 0.40 0.00 -2.24 7.64 -1.26 -0.75 113.62 115.27 2fs8 n SER 195 Ca -0.02 1.13 0.00 0.00 1.01 0.00 0.00 58.87 60.99 2fs8 n SER 195 Cb 0.52 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 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 1.48 3.04 3.51 0.23 0.00 0.30 -0.75 105.19 113.00 2fs8 n GLY 196 Ca 0.12 0.00 -0.31 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 -2.08 1.55 0.13 -0.02 0.00 0.07 -3.45 107.32 103.53 2fs8 s GLY 197 Ca 0.00 -1.04 0.02 0.00 0.00 0.00 0.00 44.72 43.70 2fs8 s GLY 197 CO 0.00 -0.08 0.27 2.56 0.00 0.00 0.00 173.10 175.85 2fs8 s PRO 198 N -5.44 3.44 -0.23 2.90 0.04 -1.26 -1.67 135.00 132.78 2fs8 s PRO 198 Ca 0.71 -0.56 0.02 0.00 0.04 0.00 0.00 61.00 61.21 2fs8 s PRO 198 Cb -0.08 -2.98 0.05 0.00 0.04 0.00 0.00 34.50 31.52 2fs8 s PRO 198 CO 0.56 0.54 -0.14 -1.17 0.04 0.00 0.00 177.00 176.83 2fs8 s LEU 199 N -3.08 2.95 0.03 -3.56 2.96 -0.80 -3.35 118.68 113.83 2fs8 s LEU 199 Ca 0.35 -1.13 0.08 0.00 -0.22 0.00 0.00 54.13 53.21 2fs8 s LEU 199 Cb -0.11 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 2fs8 s LEU 199 CO 0.28 -0.13 -0.23 0.68 -1.32 0.00 0.00 176.35 175.64 2fs8 s VAL 200 N 1.18 2.42 -0.00 1.68 -7.23 0.04 -0.68 120.40 117.81 2fs8 s VAL 200 Ca -0.04 -1.26 0.06 0.00 -1.81 0.00 0.00 61.98 58.93 2fs8 s VAL 200 Cb -0.18 -1.96 -0.02 0.00 0.56 0.00 0.00 36.38 34.78 2fs8 s VAL 200 CO -0.08 0.39 -0.18 0.00 -0.31 0.00 0.00 175.10 174.91 2fs8 s LYS 202 N -0.60 3.96 0.00 0.00 2.36 -1.26 -1.27 119.74 122.93 2fs8 s LYS 202 Ca 0.07 0.57 0.00 0.00 -2.55 0.00 0.00 55.97 54.06 2fs8 s LYS 202 Cb -0.07 -3.73 0.00 0.00 -1.05 0.00 0.00 37.83 32.98 2fs8 s LYS 202 CO -0.00 -0.67 0.00 0.28 1.55 0.00 0.00 175.35 176.51 2fs8 n VAL 203 N 5.52 0.00 -2.76 4.02 0.31 -0.19 -4.82 118.33 120.42 2fs8 n VAL 203 Ca 0.03 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.96 2fs8 n VAL 203 Cb 0.48 -0.49 0.01 0.00 -0.91 0.00 0.00 33.84 32.93 2fs8 n VAL 203 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2fs8 n ASN 204 N -0.08 6.91 0.00 4.52 3.02 -1.26 -4.67 115.26 123.71 2fs8 n ASN 204 Ca 0.00 -3.62 0.00 0.00 -0.03 0.00 0.00 54.58 50.93 2fs8 n ASN 204 Cb 0.00 -1.15 0.00 0.00 -0.61 0.00 0.00 39.78 38.02 2fs8 n ASN 204 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2fs8 n GLY 205 N 0.26 1.88 3.56 7.41 0.00 -1.26 -4.98 105.19 112.05 2fs8 n GLY 205 Ca 0.41 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.97 3.41 -0.06 2.61 2.01 -1.26 -5.11 115.64 114.27 2fs8 s THR 206 Ca 0.00 -0.96 -0.19 0.00 0.31 0.00 0.00 61.69 60.85 2fs8 s THR 206 Cb 0.00 -2.50 -0.05 0.00 0.01 0.00 0.00 72.50 69.96 2fs8 s THR 206 CO 0.00 0.32 0.52 0.26 -0.69 0.00 0.00 174.62 175.03 2fs8 s TRP 207 N -1.03 3.60 -0.04 4.92 0.52 -1.26 -1.02 118.94 124.63 2fs8 s TRP 207 Ca 0.18 1.03 0.05 0.00 0.02 0.00 0.00 56.10 57.37 2fs8 s TRP 207 Cb -0.11 -2.55 -0.01 0.00 -1.15 0.00 0.00 33.47 29.65 2fs8 s TRP 207 CO 0.08 0.28 -0.19 -0.51 0.02 0.00 0.00 176.95 176.64 2fs8 s LEU 208 N 0.15 1.96 -0.58 2.99 1.43 -0.39 -3.80 118.68 120.44 2fs8 s LEU 208 Ca 0.28 -0.37 -0.27 0.00 -1.03 0.00 0.00 54.13 52.74 2fs8 s LEU 208 Cb -0.16 -1.03 0.03 0.00 0.03 0.00 0.00 46.19 45.05 2fs8 s LEU 208 CO 0.13 0.19 1.13 -1.58 0.23 0.00 0.00 176.35 176.45 2fs8 s GLN 209 N -0.10 3.45 0.06 1.70 0.74 -0.88 -1.18 119.66 123.45 2fs8 s GLN 209 Ca -0.01 0.09 -0.08 0.00 0.05 0.00 0.00 55.36 55.40 2fs8 s GLN 209 Cb -0.11 -4.03 -0.31 0.00 1.10 0.00 0.00 33.01 29.66 2fs8 s GLN 209 CO 0.02 -1.65 1.09 0.00 -0.55 0.00 0.00 175.29 174.20 2fs8 h ALA 210 N 9.50 0.00 -2.86 1.58 0.00 -1.26 -3.39 119.26 122.84 2fs8 h ALA 210 Ca -0.25 -0.88 -0.35 0.00 0.00 0.00 0.00 54.91 53.43 2fs8 h ALA 210 Cb 1.06 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.80 2fs8 h ALA 210 CO 1.16 0.87 -0.39 0.20 0.00 0.00 0.00 179.25 181.09 2fs8 s GLY 211 N -4.64 1.83 -0.12 0.00 0.00 -0.95 -2.04 107.32 101.42 2fs8 s GLY 211 Ca -0.06 -1.78 0.01 0.00 0.00 0.00 0.00 44.72 42.89 2fs8 s GLY 211 CO 0.91 -1.27 -0.14 0.14 0.00 0.00 0.00 173.10 172.74 2fs8 s VAL 212 N -3.45 1.45 -0.19 1.40 1.01 -0.92 -1.91 120.40 117.80 2fs8 s VAL 212 Ca 0.36 -0.59 -0.37 0.00 0.00 0.00 0.00 61.98 61.38 2fs8 s VAL 212 Cb 0.02 -1.35 -0.14 0.00 0.00 0.00 0.00 36.38 34.92 2fs8 s VAL 212 CO 0.22 0.43 1.81 0.52 0.00 0.00 0.00 175.10 178.08 2fs8 n VAL 213 N 4.41 0.43 0.00 2.92 0.31 -0.67 -0.93 118.33 124.81 2fs8 n VAL 213 Ca -0.18 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 2fs8 n VAL 213 Cb 0.51 -1.53 0.00 0.00 -0.91 0.00 0.00 33.84 31.91 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 5.94 0.00 -1.47 4.52 2.88 -0.87 -0.53 113.62 124.08 2fs8 n SER 214 Ca 0.25 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.75 2fs8 n SER 214 Cb 0.21 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.65 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 -0.76 -0.31 0.00 0.66 4.27 -0.93 -4.85 117.44 115.51 2fs8 n TRP 215 Ca 0.00 -0.58 0.00 0.00 -3.89 0.00 0.00 57.50 53.03 2fs8 n TRP 215 Cb 0.00 0.08 0.00 0.00 -1.36 0.00 0.00 31.31 30.03 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 -0.13 2.50 3.49 -1.67 0.00 -1.26 -0.57 105.19 107.55 2fs8 n GLY 216 Ca 0.01 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 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 3.27 1.96 1.61 2.12 -1.26 -4.85 118.70 119.55 2fs8 s GLU 217 Ca 0.00 -0.87 0.00 0.00 0.36 0.00 0.00 54.97 54.46 2fs8 s GLU 217 Cb 0.00 -4.48 0.00 0.00 0.26 0.00 0.00 34.13 29.91 2fs8 s GLU 217 CO 0.00 -1.95 0.00 0.41 -0.54 0.00 0.00 175.26 173.18 2fs8 n GLY 219 N 5.58 -1.06 3.02 -1.50 0.00 -1.26 -4.64 105.19 105.32 2fs8 n GLY 219 Ca 0.07 -1.20 -0.24 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 3.68 -1.10 -2.70 0.00 0.00 -1.26 -4.71 120.51 114.43 2fs8 n ALA 221 Ca -0.22 0.16 -0.32 0.00 0.00 0.00 0.00 53.44 53.07 2fs8 n ALA 221 Cb 0.52 -3.53 -0.05 0.00 0.00 0.00 0.00 19.45 16.39 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 -6.11 3.60 -0.25 0.00 -1.52 -1.26 -4.20 119.66 109.91 2fs8 s GLN 221 Ca 0.45 -0.12 -0.40 0.00 -1.95 0.00 0.00 55.36 53.35 2fs8 s GLN 221 Cb -0.23 -2.87 -0.15 0.00 -0.22 0.00 0.00 33.01 29.54 2fs8 s GLN 221 CO 0.56 0.48 1.74 -2.30 -0.25 0.00 0.00 175.29 175.52 2fs8 n PRO 222 N 0.13 1.23 -2.02 2.91 -0.02 -1.26 -1.56 135.00 134.41 2fs8 n PRO 222 Ca -0.03 0.45 -0.18 0.00 -2.02 0.00 0.00 63.50 61.72 2fs8 n PRO 222 Cb 0.52 -2.14 -0.04 0.00 -0.02 0.00 0.00 33.50 31.82 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 5.35 -5.28 -3.19 2.55 5.03 -1.26 -4.92 115.26 113.54 2fs8 n ASN 223 Ca 0.26 0.17 -0.19 0.00 0.87 0.00 0.00 54.58 55.69 2fs8 n ASN 223 Cb 0.14 -4.36 -0.03 0.00 -1.02 0.00 0.00 39.78 34.51 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 -2.64 0.98 -0.74 3.52 5.12 -0.60 -3.76 116.66 118.53 2fs8 n ARG 224 Ca -0.20 -3.39 -0.32 0.00 -1.93 0.00 0.00 57.85 52.01 2fs8 n ARG 224 Cb 0.64 -1.67 0.16 0.00 -1.16 0.00 0.00 32.46 30.43 2fs8 n ARG 224 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2fs8 n PRO 225 N 0.38 -0.37 -2.35 5.56 -0.04 -1.26 -4.35 135.00 132.57 2fs8 n PRO 225 Ca 0.25 -0.04 -0.36 0.00 -0.04 0.00 0.00 63.50 63.31 2fs8 n PRO 225 Cb 0.64 -2.31 -0.01 0.00 -0.04 0.00 0.00 33.50 31.78 2fs8 n PRO 225 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2fs8 s GLY 226 N -2.48 2.67 -0.10 0.55 0.00 -0.52 -4.76 107.32 102.67 2fs8 s GLY 226 Ca 0.66 0.80 0.01 0.00 0.00 0.00 0.00 44.72 46.20 2fs8 s GLY 226 CO 0.59 1.19 -0.14 -0.42 0.00 0.00 0.00 173.10 174.32 2fs8 s ILE 227 N -1.73 3.04 0.05 0.90 -1.09 0.27 -1.96 121.20 120.69 2fs8 s ILE 227 Ca 0.67 -0.68 0.07 0.00 -2.23 0.00 0.00 60.65 58.48 2fs8 s ILE 227 Cb -0.24 -2.25 -0.03 0.00 -1.58 0.00 0.00 42.46 38.37 2fs8 s ILE 227 CO 0.28 0.55 -0.21 -0.31 -1.23 0.00 0.00 174.94 174.02 2fs8 s TYR 228 N 0.01 1.82 0.27 3.97 1.51 0.14 -2.05 117.35 123.02 2fs8 s TYR 228 Ca -0.04 -0.38 -0.30 0.00 -1.01 0.00 0.00 57.07 55.34 2fs8 s TYR 228 Cb -0.14 -1.07 -0.10 0.00 -0.11 0.00 0.00 41.96 40.53 2fs8 s TYR 228 CO 0.04 0.11 1.42 0.99 -1.11 0.00 0.00 175.55 177.00 2fs8 s THR 229 N -0.85 2.61 -0.62 -0.71 2.01 -0.10 0.70 115.64 118.68 2fs8 s THR 229 Ca 0.07 0.53 -0.26 0.00 0.31 0.00 0.00 61.69 62.35 2fs8 s THR 229 Cb -0.09 -3.34 0.04 0.00 0.01 0.00 0.00 72.50 69.12 2fs8 s THR 229 CO 0.02 0.10 1.09 -0.60 -0.69 0.00 0.00 174.62 174.54 2fs8 s ARG 230 N -0.74 3.31 0.31 4.92 3.52 0.10 -2.16 118.95 128.22 2fs8 s ARG 230 Ca 0.57 -0.22 0.06 0.00 -0.13 0.00 0.00 55.73 56.01 2fs8 s ARG 230 Cb -0.42 -4.10 0.71 0.00 -1.56 0.00 0.00 34.95 29.58 2fs8 s ARG 230 CO 0.46 -1.76 1.82 0.28 -0.81 0.00 0.00 175.30 175.30 2fs8 h VAL 231 N 6.05 0.81 0.00 7.11 2.07 -1.70 -1.71 116.25 128.89 2fs8 h VAL 231 Ca -0.27 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 2fs8 h VAL 231 Cb 1.06 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2fs8 h VAL 231 CO 1.18 0.15 -0.02 0.71 0.02 0.00 0.00 177.57 179.60 2fs8 h THR 232 N 0.81 0.37 0.00 2.57 1.35 -1.88 -1.75 112.91 114.39 2fs8 h THR 232 Ca 0.51 -0.11 -0.07 0.00 -0.55 0.00 0.00 66.41 66.19 2fs8 h THR 232 Cb 0.73 1.08 -0.01 0.00 -1.73 0.00 0.00 68.15 68.21 2fs8 h THR 232 CO -0.28 0.02 -0.35 0.22 -0.25 0.00 0.00 175.52 174.88 2fs8 h TYR 233 N 0.00 0.00 -0.25 4.73 5.03 -1.67 -3.25 116.97 121.56 2fs8 h TYR 233 Ca -0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2fs8 h TYR 233 Cb 0.08 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.36 2fs8 h TYR 233 CO 0.00 0.35 0.00 0.66 -1.32 0.00 0.00 178.16 177.85 2fs8 n TYR 234 N -3.45 0.57 -0.18 -3.82 4.01 -0.67 -4.72 117.16 108.90 2fs8 n TYR 234 Ca 0.00 -0.69 -0.01 0.00 -0.16 0.00 0.00 57.90 57.05 2fs8 n TYR 234 Cb 0.52 -0.15 0.09 0.00 -0.31 0.00 0.00 39.34 39.48 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 1.58 -0.02 -0.52 7.72 3.38 -1.56 -1.78 115.31 124.12 2fs8 h LEU 235 Ca 0.00 0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.13 2fs8 h LEU 235 Cb 1.01 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.87 2fs8 h LEU 235 CO 0.09 0.01 0.23 0.44 0.09 0.00 0.00 178.44 179.30 2fs8 h ASP 236 N 0.24 0.31 -0.33 -0.43 3.32 -1.87 -1.85 116.42 115.81 2fs8 h ASP 236 Ca 0.29 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.38 2fs8 h ASP 236 Cb 0.42 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 2fs8 h ASP 236 CO -0.38 0.21 0.21 -0.25 -1.72 0.00 0.00 179.24 177.31 2fs8 h TRP 237 N 0.45 0.42 -0.51 4.55 7.01 -1.74 -2.83 115.95 123.31 2fs8 h TRP 237 Ca 0.24 0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.31 2fs8 h TRP 237 Cb 0.19 -0.14 -0.06 0.00 -2.10 0.00 0.00 29.16 27.05 2fs8 h TRP 237 CO -0.12 0.28 0.18 0.82 -2.79 0.00 0.00 178.44 176.80 2fs8 h ILE 238 N 0.44 0.82 0.00 2.65 2.04 -0.84 -1.33 117.51 121.28 2fs8 h ILE 238 Ca 0.12 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2fs8 h ILE 238 Cb -0.03 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 2fs8 h ILE 238 CO -0.02 0.06 0.00 1.41 0.00 0.00 0.00 178.15 179.60 2fs8 n HIS 239 N -5.01 0.00 0.99 1.37 8.25 -0.74 -0.47 115.22 119.61 2fs8 n HIS 239 Ca 0.06 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.65 2fs8 n HIS 239 Cb 0.21 -0.14 0.51 0.00 1.12 0.00 0.00 29.99 31.69 2fs8 n HIS 239 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2fs8 n HIS 240 N -1.14 0.02 0.00 4.41 -0.00 -0.50 -4.31 115.22 113.70 2fs8 n HIS 240 Ca 0.11 0.01 0.00 0.00 -0.00 0.00 0.00 57.72 57.83 2fs8 n HIS 240 Cb 0.09 -0.44 0.00 0.00 -0.00 0.00 0.00 29.99 29.65 2fs8 n HIS 240 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 2fs8 n TYR 241 N -1.52 0.00 -3.52 1.57 4.01 -0.21 -5.06 117.16 112.43 2fs8 n TYR 241 Ca 0.07 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.44 2fs8 n TYR 241 Cb 0.34 0.05 -0.07 0.00 -0.31 0.00 0.00 39.34 39.35 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 -1.61 5.29 0.79 -0.72 1.01 0.38 -5.06 120.40 120.48 2fs8 s VAL 242 Ca 0.00 0.54 -0.14 0.00 0.00 0.00 0.00 61.98 62.38 2fs8 s VAL 242 Cb 0.00 -3.64 0.05 0.00 0.00 0.00 0.00 36.38 32.79 2fs8 s VAL 242 CO 0.00 0.36 1.02 -2.65 0.00 0.00 0.00 175.10 173.83 2fs8 n PRO 243 N 3.80 0.25 0.00 2.72 -0.02 -1.26 -4.32 135.00 136.16 2fs8 n PRO 243 Ca -0.12 0.15 0.15 0.00 -2.02 0.00 0.00 63.50 61.66 2fs8 n PRO 243 Cb 0.52 -2.28 0.73 0.00 -0.02 0.00 0.00 33.50 32.45 2fs8 n PRO 243 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11