#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fs9 s VAL 17 N 0.00 5.37 -1.40 1.39 1.01 0.50 -4.09 120.40 123.18 2fs9 s VAL 17 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.35 2fs9 s VAL 17 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.86 2fs9 s VAL 17 CO 0.00 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.21 2fs9 n GLY 18 N 2.82 0.90 0.00 4.51 0.00 -1.24 -2.67 105.19 109.51 2fs9 n GLY 18 Ca -0.16 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2fs9 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fs9 n GLY 19 N -1.17 2.13 3.19 -0.02 0.00 -1.26 -4.88 105.19 103.18 2fs9 n GLY 19 Ca -0.15 -1.99 -0.09 0.00 0.00 0.00 0.00 46.02 43.79 2fs9 n GLY 19 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2fs9 s GLN 20 N 3.24 0.81 0.36 1.61 2.00 -0.47 -4.94 119.66 122.27 2fs9 s GLN 20 Ca 0.00 -0.93 -0.28 0.00 -2.00 0.00 0.00 55.36 52.15 2fs9 s GLN 20 Cb 0.00 0.33 -0.10 0.00 0.80 0.00 0.00 33.01 34.03 2fs9 s GLN 20 CO 0.00 -0.25 1.35 -2.00 -0.50 0.00 0.00 175.29 173.90 2fs9 s GLU 21 N -3.70 4.22 0.25 1.67 2.12 -1.26 -1.23 118.70 120.77 2fs9 s GLU 21 Ca 0.04 2.30 -0.20 0.00 0.36 0.00 0.00 54.97 57.47 2fs9 s GLU 21 Cb 0.04 -2.99 -0.09 0.00 0.26 0.00 0.00 34.13 31.36 2fs9 s GLU 21 CO -0.10 -0.33 0.76 0.00 -0.54 0.00 0.00 175.26 175.05 2fs9 s ALA 22 N -1.16 3.36 0.66 6.30 0.00 -0.52 -4.82 121.76 125.59 2fs9 s ALA 22 Ca 0.51 0.21 -0.17 0.00 0.00 0.00 0.00 51.96 52.51 2fs9 s ALA 22 Cb -0.41 -2.88 -0.00 0.00 0.00 0.00 0.00 23.12 19.83 2fs9 s ALA 22 CO 0.55 0.30 1.22 -2.14 0.00 0.00 0.00 175.76 175.69 2fs9 s PRO 23 N -2.12 2.58 0.61 0.00 0.02 -1.26 -4.88 135.00 129.95 2fs9 s PRO 23 Ca 0.46 1.83 0.34 0.00 0.02 0.00 0.00 61.00 63.65 2fs9 s PRO 23 Cb -0.16 -1.88 1.99 0.00 0.02 0.00 0.00 34.50 34.47 2fs9 s PRO 23 CO 0.21 -1.51 2.28 0.00 -0.33 0.00 0.00 177.00 177.64 2fs9 h ARG 24 N 0.34 0.00 -0.03 5.54 3.08 -2.00 -2.23 114.38 119.08 2fs9 h ARG 24 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2fs9 h ARG 24 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 2fs9 h ARG 24 CO 0.53 0.01 0.00 -1.13 -1.07 0.00 0.00 179.97 178.31 2fs9 n SER 25 N -3.58 1.50 -4.78 7.04 3.41 -1.26 -4.90 113.62 111.04 2fs9 n SER 25 Ca -0.03 -1.52 -0.32 0.00 -0.26 0.00 0.00 58.87 56.74 2fs9 n SER 25 Cb 0.09 -0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 63.96 2fs9 n SER 25 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2fs9 s LYS 26 N -1.97 3.02 -0.85 4.33 1.02 -0.84 -4.68 119.74 119.77 2fs9 s LYS 26 Ca 0.37 -0.54 -0.04 0.00 0.02 0.00 0.00 55.97 55.79 2fs9 s LYS 26 Cb 0.21 -2.83 -0.04 0.00 -0.52 0.00 0.00 37.83 34.65 2fs9 s LYS 26 CO 0.33 0.62 0.74 0.91 -0.92 0.00 0.00 175.35 177.03 2fs9 n TRP 27 N 0.96 -1.91 0.27 3.18 5.03 -1.26 -4.85 117.44 118.86 2fs9 n TRP 27 Ca -0.12 0.69 0.08 0.00 3.03 0.00 0.00 57.50 61.19 2fs9 n TRP 27 Cb 0.52 -3.92 0.39 0.00 -1.03 0.00 0.00 31.31 27.27 2fs9 n TRP 27 CO 0.00 0.00 0.00 -2.30 -0.03 0.00 0.00 177.69 175.36 2fs9 n PRO 28 N -2.99 0.10 0.00 -0.99 -0.02 -1.26 -2.60 135.00 127.24 2fs9 n PRO 28 Ca -0.09 0.47 0.11 0.00 -2.02 0.00 0.00 63.50 61.97 2fs9 n PRO 28 Cb 0.60 -1.76 -0.04 0.00 -0.02 0.00 0.00 33.50 32.28 2fs9 n PRO 28 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 2fs9 n TRP 29 N -1.97 0.00 -1.95 6.00 2.14 -1.14 -2.54 117.44 117.98 2fs9 n TRP 29 Ca 0.01 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.16 2fs9 n TRP 29 Cb 0.12 -0.01 -0.03 0.00 -0.81 0.00 0.00 31.31 30.58 2fs9 n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2fs9 s GLN 30 N -2.74 4.23 0.36 -2.67 2.00 -1.07 -1.10 119.66 118.66 2fs9 s GLN 30 Ca 0.13 2.35 0.04 0.00 -2.00 0.00 0.00 55.36 55.88 2fs9 s GLN 30 Cb 0.17 -3.14 -0.05 0.00 0.80 0.00 0.00 33.01 30.79 2fs9 s GLN 30 CO 0.72 -0.56 0.07 0.14 -0.50 0.00 0.00 175.29 175.16 2fs9 s VAL 31 N 0.80 1.12 -0.04 1.34 -7.23 -0.66 -2.16 120.40 113.57 2fs9 s VAL 31 Ca 0.67 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.86 2fs9 s VAL 31 Cb -0.43 -2.68 0.01 0.00 0.56 0.00 0.00 36.38 33.84 2fs9 s VAL 31 CO 0.35 0.00 -0.07 -0.55 -0.31 0.00 0.00 175.10 174.52 2fs9 s SER 32 N -3.55 1.12 -0.15 4.85 0.15 0.23 -2.85 113.70 113.51 2fs9 s SER 32 Ca 0.32 -0.17 -0.13 0.00 0.70 0.00 0.00 55.95 56.67 2fs9 s SER 32 Cb 0.07 -0.46 -0.05 0.00 -1.71 0.00 0.00 66.02 63.88 2fs9 s SER 32 CO 0.15 -0.00 0.28 -0.76 1.20 0.00 0.00 173.24 174.10 2fs9 s LEU 33 N 0.61 4.27 0.03 3.45 1.43 0.71 -0.66 118.68 128.53 2fs9 s LEU 33 Ca -0.09 0.52 0.06 0.00 -1.03 0.00 0.00 54.13 53.59 2fs9 s LEU 33 Cb -0.13 -2.34 -0.03 0.00 0.03 0.00 0.00 46.19 43.72 2fs9 s LEU 33 CO 0.01 0.15 -0.17 -0.13 0.23 0.00 0.00 176.35 176.44 2fs9 s ARG 34 N 0.19 2.15 -0.03 1.70 1.81 0.36 -1.77 118.95 123.36 2fs9 s ARG 34 Ca 0.16 -0.93 0.07 0.00 -1.72 0.00 0.00 55.73 53.32 2fs9 s ARG 34 Cb -0.13 -2.23 -0.02 0.00 -0.45 0.00 0.00 34.95 32.13 2fs9 s ARG 34 CO 0.04 0.55 -0.26 0.54 -0.68 0.00 0.00 175.30 175.50 2fs9 s VAL 35 N -0.90 2.06 0.24 3.52 0.11 -0.45 -1.32 120.40 123.65 2fs9 s VAL 35 Ca 0.14 -1.10 -0.30 0.00 -2.93 0.00 0.00 61.98 57.80 2fs9 s VAL 35 Cb -0.11 -1.71 -0.10 0.00 -1.53 0.00 0.00 36.38 32.94 2fs9 s VAL 35 CO 0.05 0.58 1.38 -2.28 -3.33 0.00 0.00 175.10 171.49 2fs9 s HIS 36 N -0.48 3.12 0.00 1.54 2.46 -0.59 -2.78 115.29 118.55 2fs9 s HIS 36 Ca 0.06 1.14 0.00 0.00 0.47 0.00 0.00 55.06 56.73 2fs9 s HIS 36 Cb -0.11 -3.72 0.00 0.00 -0.13 0.00 0.00 32.58 28.62 2fs9 s HIS 36 CO 0.00 -2.29 0.00 0.41 -2.47 0.00 0.00 174.74 170.39 2fs9 n GLY 37 N 2.14 1.83 0.33 1.59 0.00 -1.26 -4.96 105.19 104.87 2fs9 n GLY 37 Ca 0.06 -0.07 0.19 0.00 0.00 0.00 0.00 46.02 46.19 2fs9 n GLY 37 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2fs9 h PRO 37 N 0.00 0.00 -2.48 1.61 0.11 -2.04 -3.43 132.00 125.76 2fs9 h PRO 37 Ca 0.00 0.00 0.13 0.00 0.11 0.00 0.00 66.00 66.24 2fs9 h PRO 37 Cb 0.00 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 31.01 2fs9 h PRO 37 CO 0.00 0.00 0.42 1.52 -0.21 0.00 0.00 178.00 179.73 2fs9 s TYR 37 N -4.37 -0.22 -1.04 0.65 1.13 -1.26 -5.08 117.35 107.15 2fs9 s TYR 37 Ca -0.05 -0.06 -0.23 0.00 -1.41 0.00 0.00 57.07 55.33 2fs9 s TYR 37 Cb 0.13 0.62 0.03 0.00 -1.10 0.00 0.00 41.96 41.65 2fs9 s TYR 37 CO 0.45 -0.83 1.57 -1.58 -2.51 0.00 0.00 175.55 172.66 2fs9 s TRP 38 N -3.38 2.44 0.19 -3.49 0.52 -1.26 -4.69 118.94 109.26 2fs9 s TRP 38 Ca 0.09 -0.69 -0.28 0.00 0.02 0.00 0.00 56.10 55.24 2fs9 s TRP 38 Cb -0.02 -4.59 -0.08 0.00 -1.15 0.00 0.00 33.47 27.63 2fs9 s TRP 38 CO -0.01 -1.88 0.89 1.41 0.02 0.00 0.00 176.95 177.38 2fs9 s MET 39 N 5.22 4.73 0.28 4.98 1.75 -1.12 -4.72 119.30 130.43 2fs9 s MET 39 Ca 0.51 1.37 -0.29 0.00 -1.25 0.00 0.00 55.69 56.02 2fs9 s MET 39 Cb -0.00 -3.30 -0.10 0.00 2.84 0.00 0.00 34.83 34.27 2fs9 s MET 39 CO -0.06 0.47 1.28 -1.58 -0.65 0.00 0.00 175.02 174.48 2fs9 s HIS 40 N -0.92 3.20 0.00 4.11 2.46 -1.26 -1.34 115.29 121.54 2fs9 s HIS 40 Ca 0.40 1.40 0.00 0.00 0.47 0.00 0.00 55.06 57.33 2fs9 s HIS 40 Cb -0.24 -3.59 0.00 0.00 -0.13 0.00 0.00 32.58 28.61 2fs9 s HIS 40 CO 0.30 -1.66 0.00 1.97 -2.47 0.00 0.00 174.74 172.88 2fs9 n PHE 41 N 1.43 0.00 -3.56 3.88 -1.74 -0.73 -4.93 117.46 111.81 2fs9 n PHE 41 Ca 0.02 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.83 2fs9 n PHE 41 Cb 0.42 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.41 2fs9 n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2fs9 n GLY 43 N -0.34 2.34 3.63 0.00 0.00 0.15 -0.21 105.19 110.77 2fs9 n GLY 43 Ca -0.10 -2.20 0.02 0.00 0.00 0.00 0.00 46.02 43.74 2fs9 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fs9 n GLY 44 N 1.76 0.32 2.93 -0.02 0.00 -1.13 -3.57 105.19 105.47 2fs9 n GLY 44 Ca 0.04 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 2fs9 n GLY 44 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2fs9 s SER 45 N -3.54 0.33 -0.26 1.61 1.04 -0.12 -1.66 113.70 111.10 2fs9 s SER 45 Ca 0.26 -0.12 -0.26 0.00 0.48 0.00 0.00 55.95 56.31 2fs9 s SER 45 Cb -0.01 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.10 2fs9 s SER 45 CO 0.00 -0.01 0.92 -0.22 0.98 0.00 0.00 173.24 174.91 2fs9 s LEU 46 N -0.29 4.06 0.00 2.42 2.96 -0.26 -0.03 118.68 127.55 2fs9 s LEU 46 Ca -0.01 1.08 0.07 0.00 -0.22 0.00 0.00 54.13 55.04 2fs9 s LEU 46 Cb -0.02 -3.33 0.03 0.00 0.50 0.00 0.00 46.19 43.37 2fs9 s LEU 46 CO -0.00 -0.64 0.64 2.30 -1.32 0.00 0.00 176.35 177.33 2fs9 n ILE 47 N 5.42 0.00 -3.63 6.68 -5.35 -0.66 -1.02 119.36 120.80 2fs9 n ILE 47 Ca 0.08 -0.48 -0.08 0.00 -0.27 0.00 0.00 62.75 62.00 2fs9 n ILE 47 Cb 0.47 1.12 -0.07 0.00 -1.74 0.00 0.00 39.64 39.42 2fs9 n ILE 47 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 2fs9 s HIS 48 N -0.71 -0.39 0.49 4.28 5.04 -1.13 -4.78 115.29 118.08 2fs9 s HIS 48 Ca 0.07 0.91 0.42 0.00 -1.54 0.00 0.00 55.06 54.92 2fs9 s HIS 48 Cb 0.05 0.40 1.56 0.00 0.04 0.00 0.00 32.58 34.63 2fs9 s HIS 48 CO 0.11 -0.21 1.47 -2.30 -2.34 0.00 0.00 174.74 171.46 2fs9 n PRO 49 N 1.86 -0.01 -0.07 2.88 -0.02 -1.26 0.48 135.00 138.86 2fs9 n PRO 49 Ca -0.12 1.07 0.02 0.00 -2.02 0.00 0.00 63.50 62.46 2fs9 n PRO 49 Cb 0.56 -2.35 0.06 0.00 -0.02 0.00 0.00 33.50 31.76 2fs9 n PRO 49 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2fs9 n GLN 50 N -4.04 2.75 -4.33 -0.52 6.02 -1.26 -0.09 117.38 115.91 2fs9 n GLN 50 Ca 0.41 -1.68 -0.20 0.00 -0.01 0.00 0.00 57.00 55.52 2fs9 n GLN 50 Cb 1.78 -1.11 -0.16 0.00 1.02 0.00 0.00 30.24 31.77 2fs9 n GLN 50 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2fs9 s TRP 51 N -0.96 0.87 -0.11 1.08 0.52 0.18 -1.01 118.94 119.51 2fs9 s TRP 51 Ca 0.10 -0.22 0.02 0.00 0.02 0.00 0.00 56.10 56.01 2fs9 s TRP 51 Cb 0.05 -0.65 -0.01 0.00 -1.15 0.00 0.00 33.47 31.72 2fs9 s TRP 51 CO 0.07 -0.11 -0.18 0.08 0.02 0.00 0.00 176.95 176.82 2fs9 s VAL 52 N 0.31 2.60 -0.16 4.03 1.01 0.36 -1.66 120.40 126.90 2fs9 s VAL 52 Ca -0.05 -0.83 -0.15 0.00 0.00 0.00 0.00 61.98 60.95 2fs9 s VAL 52 Cb -0.09 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 2fs9 s VAL 52 CO 0.00 0.54 0.34 -0.22 0.00 0.00 0.00 175.10 175.77 2fs9 s LEU 53 N 0.29 4.24 0.00 3.92 2.96 0.96 -0.38 118.68 130.67 2fs9 s LEU 53 Ca -0.13 0.57 -0.00 0.00 -0.22 0.00 0.00 54.13 54.35 2fs9 s LEU 53 Cb -0.17 -2.46 0.00 0.00 0.50 0.00 0.00 46.19 44.07 2fs9 s LEU 53 CO 0.07 0.06 0.26 1.07 -1.32 0.00 0.00 176.35 176.49 2fs9 n THR 54 N 3.68 0.00 -3.42 3.68 5.66 -0.71 -0.95 114.28 122.23 2fs9 n THR 54 Ca -0.10 -1.11 -0.38 0.00 -3.05 0.00 0.00 64.05 59.41 2fs9 n THR 54 Cb 0.52 0.65 -0.06 0.00 -1.55 0.00 0.00 70.33 69.89 2fs9 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2fs9 s ALA 55 N -2.37 3.58 0.31 1.79 0.00 -1.26 -0.49 121.76 123.32 2fs9 s ALA 55 Ca 0.18 -0.24 0.04 0.00 0.00 0.00 0.00 51.96 51.95 2fs9 s ALA 55 Cb -0.00 -2.51 0.65 0.00 0.00 0.00 0.00 23.12 21.26 2fs9 s ALA 55 CO 0.13 0.20 1.85 0.00 0.00 0.00 0.00 175.76 177.95 2fs9 h ALA 56 N 5.91 1.64 0.00 0.00 0.00 -1.71 -0.36 119.26 124.73 2fs9 h ALA 56 Ca -0.45 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2fs9 h ALA 56 Cb 1.19 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2fs9 h ALA 56 CO 0.70 0.13 0.00 1.12 0.00 0.00 0.00 179.25 181.20 2fs9 h HIS 57 N 0.88 0.00 -0.02 0.00 2.07 -1.90 0.69 115.15 116.88 2fs9 h HIS 57 Ca 0.47 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.88 2fs9 h HIS 57 Cb 0.55 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.52 2fs9 h HIS 57 CO -0.00 0.00 -0.53 0.00 -3.07 0.00 0.00 177.93 174.33 2fs9 n VAL 59 N -3.92 0.46 -3.75 0.00 0.24 -0.65 -5.02 118.33 105.70 2fs9 n VAL 59 Ca -0.02 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 2fs9 n VAL 59 Cb 0.54 0.84 0.00 0.00 -1.47 0.00 0.00 33.84 33.75 2fs9 n VAL 59 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2fs9 n GLY 60 N -0.23 3.53 0.23 7.63 0.00 0.23 -4.56 105.19 112.02 2fs9 n GLY 60 Ca 0.00 -1.50 0.15 0.00 0.00 0.00 0.00 46.02 44.67 2fs9 n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2fs9 h PRO 60 N 0.00 0.00 -6.88 1.61 0.13 -1.79 -3.40 132.00 121.66 2fs9 h PRO 60 Ca 0.00 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.66 2fs9 h PRO 60 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2fs9 h PRO 60 CO 0.00 0.00 0.36 -0.51 -0.23 0.00 0.00 178.00 177.62 2fs9 s ASP 60 N -5.49 7.28 0.43 1.44 1.01 -1.26 -5.00 116.67 115.07 2fs9 s ASP 60 Ca 0.04 1.90 -0.26 0.00 0.71 0.00 0.00 52.55 54.94 2fs9 s ASP 60 Cb 0.08 -2.59 -0.09 0.00 1.01 0.00 0.00 42.92 41.33 2fs9 s ASP 60 CO 0.55 -0.11 1.40 0.52 0.21 0.00 0.00 175.17 177.74 2fs9 n VAL 60 N 0.58 2.56 -4.37 -1.27 0.31 -1.26 -5.02 118.33 109.86 2fs9 n VAL 60 Ca 0.02 -0.50 -0.27 0.00 -0.01 0.00 0.00 64.34 63.57 2fs9 n VAL 60 Cb 0.49 -1.79 -0.13 0.00 -0.91 0.00 0.00 33.84 31.50 2fs9 n VAL 60 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2fs9 s LYS 60 N -2.31 1.32 -0.21 5.55 1.02 -1.26 -5.09 119.74 118.76 2fs9 s LYS 60 Ca 0.59 -1.28 -0.29 0.00 0.02 0.00 0.00 55.97 55.01 2fs9 s LYS 60 Cb -0.47 -1.74 -0.02 0.00 -0.52 0.00 0.00 37.83 35.08 2fs9 s LYS 60 CO 0.59 0.41 1.39 0.34 -0.92 0.00 0.00 175.35 177.16 2fs9 s ASP 60 N -1.98 6.70 0.37 2.83 -1.08 -1.26 -4.92 116.67 117.33 2fs9 s ASP 60 Ca 0.12 1.57 0.06 0.00 -0.52 0.00 0.00 52.55 53.77 2fs9 s ASP 60 Cb -0.10 -2.54 0.76 0.00 -1.46 0.00 0.00 42.92 39.58 2fs9 s ASP 60 CO 0.05 -0.99 1.99 -0.07 0.52 0.00 0.00 175.17 176.67 2fs9 h LEU 61 N 10.59 0.62 -2.64 -1.34 3.38 -1.95 -2.17 115.31 121.81 2fs9 h LEU 61 Ca -0.29 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.68 2fs9 h LEU 61 Cb 1.12 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 2fs9 h LEU 61 CO 1.00 0.42 0.04 0.00 0.09 0.00 0.00 178.44 179.99 2fs9 h ALA 62 N 1.64 1.32 -0.54 1.53 0.00 -1.91 -0.37 119.26 120.92 2fs9 h ALA 62 Ca 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2fs9 h ALA 62 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2fs9 h ALA 62 CO -0.07 -0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.12 2fs9 n ALA 63 N -2.19 2.67 -2.44 0.00 0.00 -0.81 -4.91 120.51 112.82 2fs9 n ALA 63 Ca -0.02 -1.11 -0.27 0.00 0.00 0.00 0.00 53.44 52.04 2fs9 n ALA 63 Cb 0.12 -0.99 -0.15 0.00 0.00 0.00 0.00 19.45 18.44 2fs9 n ALA 63 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2fs9 s LEU 64 N -1.25 2.10 0.07 0.00 2.96 -0.15 -1.54 118.68 120.87 2fs9 s LEU 64 Ca 0.39 -0.45 -0.06 0.00 -0.22 0.00 0.00 54.13 53.79 2fs9 s LEU 64 Cb 0.23 -1.04 -0.02 0.00 0.50 0.00 0.00 46.19 45.86 2fs9 s LEU 64 CO 0.23 0.22 0.11 -0.13 -1.32 0.00 0.00 176.35 175.45 2fs9 s ARG 65 N -0.82 0.75 0.03 1.98 1.81 -0.43 -4.24 118.95 118.03 2fs9 s ARG 65 Ca 0.08 -1.04 0.09 0.00 -1.72 0.00 0.00 55.73 53.14 2fs9 s ARG 65 Cb -0.08 0.29 -0.03 0.00 -0.45 0.00 0.00 34.95 34.68 2fs9 s ARG 65 CO 0.00 -0.21 -0.26 0.08 -0.68 0.00 0.00 175.30 174.23 2fs9 s VAL 66 N -3.85 2.13 -0.12 3.52 1.01 -0.18 -0.48 120.40 122.43 2fs9 s VAL 66 Ca 0.05 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 60.69 2fs9 s VAL 66 Cb 0.06 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.65 2fs9 s VAL 66 CO -0.10 0.40 -0.11 -1.58 0.00 0.00 0.00 175.10 173.71 2fs9 s GLN 67 N -1.13 1.87 1.14 2.72 2.00 0.17 -0.30 119.66 126.13 2fs9 s GLN 67 Ca 0.11 -0.40 -0.18 0.00 -2.00 0.00 0.00 55.36 52.89 2fs9 s GLN 67 Cb -0.10 -1.77 0.26 0.00 0.80 0.00 0.00 33.01 32.20 2fs9 s GLN 67 CO 0.02 -0.21 1.15 -0.51 -0.50 0.00 0.00 175.29 175.24 2fs9 s LEU 68 N 1.45 1.16 -0.40 3.68 1.02 -1.26 -0.60 118.68 123.73 2fs9 s LEU 68 Ca 0.02 0.58 -0.45 0.00 0.02 0.00 0.00 54.13 54.29 2fs9 s LEU 68 Cb -0.13 -2.40 -0.20 0.00 0.02 0.00 0.00 46.19 43.48 2fs9 s LEU 68 CO -0.07 -3.78 1.48 -1.14 0.02 0.00 0.00 176.35 172.86 2fs9 n ARG 69 N -4.52 0.00 -4.74 1.70 0.63 -0.92 -4.71 116.66 104.10 2fs9 n ARG 69 Ca 0.13 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.83 2fs9 n ARG 69 Cb 0.59 -1.48 -0.15 0.00 0.45 0.00 0.00 32.46 31.88 2fs9 n ARG 69 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2fs9 s GLU 70 N 2.42 1.31 0.09 -0.14 2.02 -1.26 -5.03 118.70 118.11 2fs9 s GLU 70 Ca 1.01 -0.56 -0.13 0.00 0.02 0.00 0.00 54.97 55.31 2fs9 s GLU 70 Cb -1.43 -1.25 -0.20 0.00 0.10 0.00 0.00 34.13 31.34 2fs9 s GLU 70 CO 0.76 0.33 1.23 0.37 0.02 0.00 0.00 175.26 177.97 2fs9 h GLN 71 N 5.79 0.70 -4.20 1.61 5.75 -1.92 -3.41 115.11 119.42 2fs9 h GLN 71 Ca -0.35 -0.71 -0.50 0.00 -0.15 0.00 0.00 58.65 56.94 2fs9 h GLN 71 Cb 1.16 0.19 -0.36 0.00 1.07 0.00 0.00 27.48 29.54 2fs9 h GLN 71 CO 0.49 1.29 -0.80 -1.01 -2.65 0.00 0.00 178.83 176.15 2fs9 s HIS 72 N -3.40 1.31 0.47 3.99 3.76 -1.26 -1.54 115.29 118.62 2fs9 s HIS 72 Ca -0.09 -0.58 -0.23 0.00 -0.15 0.00 0.00 55.06 54.00 2fs9 s HIS 72 Cb 0.07 -1.10 -0.08 0.00 1.11 0.00 0.00 32.58 32.58 2fs9 s HIS 72 CO 0.91 -0.42 1.15 1.28 -0.85 0.00 0.00 174.74 176.81 2fs9 n LEU 73 N 4.67 3.71 0.00 0.89 4.77 -0.38 -2.08 117.00 128.59 2fs9 n LEU 73 Ca -0.15 1.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.85 2fs9 n LEU 73 Cb 0.50 -1.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.15 2fs9 n LEU 73 CO 0.18 -1.12 0.00 -1.22 -1.33 0.00 0.00 177.39 173.90 2fs9 n TYR 74 N -0.67 0.00 0.14 -1.77 4.01 -1.26 -4.81 117.16 112.80 2fs9 n TYR 74 Ca 0.09 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.77 2fs9 n TYR 74 Cb 0.41 -0.38 -0.03 0.00 -0.31 0.00 0.00 39.34 39.04 2fs9 n TYR 74 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 2fs9 h TYR 75 N 0.00 -0.35 -1.88 -0.72 3.20 -1.77 -3.37 116.97 112.08 2fs9 h TYR 75 Ca 0.00 -0.01 -0.69 0.00 3.14 0.00 0.00 58.73 61.17 2fs9 h TYR 75 Cb 0.00 0.12 -0.34 0.00 1.54 0.00 0.00 36.73 38.05 2fs9 h TYR 75 CO 0.00 -0.22 0.24 1.04 -1.64 0.00 0.00 178.16 177.58 2fs9 n GLN 79 N -3.58 3.36 -1.75 1.82 1.13 -1.26 -5.05 117.38 112.05 2fs9 n GLN 79 Ca -0.05 -4.15 -0.42 0.00 -1.94 0.00 0.00 57.00 50.45 2fs9 n GLN 79 Cb 0.15 -2.28 -0.01 0.00 0.11 0.00 0.00 30.24 28.21 2fs9 n GLN 79 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2fs9 n ASP 80 N -0.43 3.74 -3.01 1.08 9.92 -1.26 -4.95 116.55 121.63 2fs9 n ASP 80 Ca 0.45 1.17 -0.17 0.00 -0.53 0.00 0.00 54.79 55.71 2fs9 n ASP 80 Cb 0.41 -1.59 -0.02 0.00 -0.64 0.00 0.00 41.12 39.28 2fs9 n ASP 80 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2fs9 n GLN 81 N 1.67 0.71 -1.77 -1.24 6.02 -1.26 -5.14 117.38 116.37 2fs9 n GLN 81 Ca 0.07 -2.59 -0.41 0.00 -0.01 0.00 0.00 57.00 54.06 2fs9 n GLN 81 Cb 0.37 -1.34 -0.01 0.00 1.02 0.00 0.00 30.24 30.27 2fs9 n GLN 81 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2fs9 s LEU 82 N -0.86 4.34 -0.16 1.08 1.43 -1.26 -4.70 118.68 118.55 2fs9 s LEU 82 Ca 0.34 2.97 -0.02 0.00 -1.03 0.00 0.00 54.13 56.39 2fs9 s LEU 82 Cb 0.18 -3.64 -0.01 0.00 0.03 0.00 0.00 46.19 42.75 2fs9 s LEU 82 CO -0.17 -0.92 -0.10 -0.76 0.23 0.00 0.00 176.35 174.64 2fs9 s LEU 83 N -0.61 2.83 0.87 1.79 1.43 0.59 -4.93 118.68 120.65 2fs9 s LEU 83 Ca 0.63 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 53.30 2fs9 s LEU 83 Cb -0.48 -1.67 0.11 0.00 0.03 0.00 0.00 46.19 44.19 2fs9 s LEU 83 CO 0.49 0.11 1.10 -2.16 0.23 0.00 0.00 176.35 176.12 2fs9 s PRO 84 N 0.66 1.46 -0.06 1.29 0.04 -1.26 -1.01 135.00 136.12 2fs9 s PRO 84 Ca -0.05 1.09 0.04 0.00 0.04 0.00 0.00 61.00 62.12 2fs9 s PRO 84 Cb -0.15 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 2fs9 s PRO 84 CO 0.02 -2.18 -0.19 0.08 0.04 0.00 0.00 177.00 174.78 2fs9 s VAL 85 N -2.84 2.59 -0.46 -0.36 1.01 -1.26 -3.29 120.40 115.79 2fs9 s VAL 85 Ca 0.63 -0.88 0.23 0.00 0.00 0.00 0.00 61.98 61.96 2fs9 s VAL 85 Cb -0.19 -2.00 -0.15 0.00 0.00 0.00 0.00 36.38 34.04 2fs9 s VAL 85 CO 0.57 0.57 0.91 -1.54 0.00 0.00 0.00 175.10 175.61 2fs9 n SER 86 N 2.77 0.55 -3.63 3.32 3.41 0.21 -4.77 113.62 115.47 2fs9 n SER 86 Ca -0.17 -0.15 -0.09 0.00 -0.26 0.00 0.00 58.87 58.21 2fs9 n SER 86 Cb 0.52 1.01 -0.07 0.00 -0.26 0.00 0.00 64.21 65.41 2fs9 n SER 86 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2fs9 s ARG 87 N -3.27 0.46 -0.22 4.33 3.52 -1.07 -4.98 118.95 117.73 2fs9 s ARG 87 Ca 0.01 0.49 -0.04 0.00 -0.13 0.00 0.00 55.73 56.06 2fs9 s ARG 87 Cb 0.14 0.22 -0.01 0.00 -1.56 0.00 0.00 34.95 33.74 2fs9 s ARG 87 CO 0.83 -0.07 -0.04 0.42 -0.81 0.00 0.00 175.30 175.63 2fs9 s ILE 88 N 0.06 3.41 -0.33 4.11 -1.09 -1.26 -1.07 121.20 125.04 2fs9 s ILE 88 Ca 0.03 -0.48 0.01 0.00 -2.23 0.00 0.00 60.65 57.98 2fs9 s ILE 88 Cb -0.05 -2.55 0.08 0.00 -1.58 0.00 0.00 42.46 38.37 2fs9 s ILE 88 CO -0.07 0.42 0.03 -0.63 -1.23 0.00 0.00 174.94 173.47 2fs9 s ILE 89 N 1.43 2.67 -0.17 2.92 1.01 0.58 -4.98 121.20 124.67 2fs9 s ILE 89 Ca 0.05 -1.86 -0.10 0.00 0.00 0.00 0.00 60.65 58.75 2fs9 s ILE 89 Cb -0.14 -2.73 -0.05 0.00 0.01 0.00 0.00 42.46 39.55 2fs9 s ILE 89 CO -0.03 -0.35 0.15 -0.69 0.00 0.00 0.00 174.94 174.02 2fs9 s VAL 90 N 1.10 5.42 0.11 2.92 1.01 -1.26 0.30 120.40 130.00 2fs9 s VAL 90 Ca 0.01 0.24 -0.35 0.00 0.00 0.00 0.00 61.98 61.88 2fs9 s VAL 90 Cb -0.20 -3.47 -0.15 0.00 0.00 0.00 0.00 36.38 32.56 2fs9 s VAL 90 CO -0.05 0.49 1.53 1.57 0.00 0.00 0.00 175.10 178.65 2fs9 n HIS 91 N 3.03 2.05 0.32 5.22 -0.00 -1.07 -4.83 115.22 119.94 2fs9 n HIS 91 Ca -0.17 0.37 0.20 0.00 0.46 0.00 0.00 57.72 58.58 2fs9 n HIS 91 Cb 0.53 -2.49 1.09 0.00 -0.12 0.00 0.00 29.99 29.01 2fs9 n HIS 91 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2fs9 h PRO 92 N 5.76 0.00 -0.00 1.57 0.13 -1.93 -2.09 132.00 135.44 2fs9 h PRO 92 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2fs9 h PRO 92 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2fs9 h PRO 92 CO 0.86 0.01 -0.18 1.04 -0.23 0.00 0.00 178.00 179.50 2fs9 n GLN 93 N -3.25 0.36 -2.60 0.86 6.02 -1.26 -4.89 117.38 112.62 2fs9 n GLN 93 Ca -0.03 -0.13 -0.41 0.00 -0.01 0.00 0.00 57.00 56.42 2fs9 n GLN 93 Cb 0.10 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.82 2fs9 n GLN 93 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 2fs9 s PHE 94 N -2.73 3.69 0.00 1.08 5.36 -0.79 -4.82 117.98 119.77 2fs9 s PHE 94 Ca 0.21 1.68 0.00 0.00 -0.96 0.00 0.00 56.93 57.86 2fs9 s PHE 94 Cb 0.19 -3.19 0.00 0.00 -0.34 0.00 0.00 43.02 39.69 2fs9 s PHE 94 CO 0.54 -0.28 0.00 0.98 -1.46 0.00 0.00 175.22 175.01 2fs9 n TYR 95 N 2.50 0.00 -3.89 10.12 9.36 -1.26 -4.88 117.16 129.10 2fs9 n TYR 95 Ca 0.02 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.14 2fs9 n TYR 95 Cb 0.47 0.26 -0.09 0.00 -0.63 0.00 0.00 39.34 39.35 2fs9 n TYR 95 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 2fs9 s THR 96 N -1.64 0.12 0.44 2.97 -4.23 -1.26 -4.53 115.64 107.50 2fs9 s THR 96 Ca 0.00 -0.97 0.11 0.00 -1.18 0.00 0.00 61.69 59.65 2fs9 s THR 96 Cb 0.00 -0.82 0.24 0.00 1.34 0.00 0.00 72.50 73.27 2fs9 s THR 96 CO 0.00 -0.53 2.06 0.00 -0.54 0.00 0.00 174.62 175.60 2fs9 h ALA 97 N 3.71 1.76 0.00 3.99 0.00 -1.95 -2.39 119.26 124.38 2fs9 h ALA 97 Ca -0.32 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 2fs9 h ALA 97 Cb 1.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2fs9 h ALA 97 CO 0.48 0.20 -0.40 1.96 0.00 0.00 0.00 179.25 181.49 2fs9 h GLN 98 N 0.30 0.00 0.14 0.00 7.50 -1.97 -3.17 115.11 117.91 2fs9 h GLN 98 Ca 0.08 0.00 -0.23 0.00 0.50 0.00 0.00 58.65 59.00 2fs9 h GLN 98 Cb 0.06 0.00 0.03 0.00 0.05 0.00 0.00 27.48 27.61 2fs9 h GLN 98 CO -0.01 0.40 -0.99 0.82 -1.50 0.00 0.00 178.83 177.55 2fs9 h ILE 99 N 0.00 1.41 0.00 2.54 2.04 -1.83 -3.47 117.51 118.21 2fs9 h ILE 99 Ca -0.00 -2.48 0.00 0.00 1.00 0.00 0.00 64.86 63.37 2fs9 h ILE 99 Cb 0.89 2.99 0.00 0.00 -0.74 0.00 0.00 36.82 39.96 2fs9 h ILE 99 CO 0.05 0.72 0.00 0.61 0.00 0.00 0.00 178.15 179.53 2fs9 n GLY 100 N 1.53 0.75 3.43 5.37 0.00 -0.99 -5.01 105.19 110.27 2fs9 n GLY 100 Ca -0.14 -2.08 -0.25 0.00 0.00 0.00 0.00 46.02 43.55 2fs9 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fs9 n ALA 101 N -1.00 -1.11 -2.80 4.61 0.00 -1.26 -4.44 120.51 114.50 2fs9 n ALA 101 Ca 0.00 0.20 -0.44 0.00 0.00 0.00 0.00 53.44 53.20 2fs9 n ALA 101 Cb 0.00 -3.77 -0.00 0.00 0.00 0.00 0.00 19.45 15.68 2fs9 n ALA 101 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2fs9 s ASP 102 N -2.91 6.96 -0.11 0.00 2.15 -1.26 -4.27 116.67 117.24 2fs9 s ASP 102 Ca 0.46 -2.74 -0.27 0.00 0.43 0.00 0.00 52.55 50.43 2fs9 s ASP 102 Cb -0.23 -2.47 0.06 0.00 -0.30 0.00 0.00 42.92 39.98 2fs9 s ASP 102 CO 0.57 -0.93 0.63 -0.51 -0.17 0.00 0.00 175.17 174.76 2fs9 s ILE 103 N 2.66 0.01 0.24 4.11 2.07 -1.26 -4.09 121.20 124.94 2fs9 s ILE 103 Ca 0.47 -0.05 -0.18 0.00 -1.41 0.00 0.00 60.65 59.48 2fs9 s ILE 103 Cb -0.00 -0.93 0.02 0.00 0.13 0.00 0.00 42.46 41.68 2fs9 s ILE 103 CO 0.03 -0.03 0.58 0.00 -1.91 0.00 0.00 174.94 173.61 2fs9 s ALA 104 N -0.72 -0.90 -0.00 1.50 0.00 0.35 -2.59 121.76 119.39 2fs9 s ALA 104 Ca -0.08 -0.38 0.06 0.00 0.00 0.00 0.00 51.96 51.56 2fs9 s ALA 104 Cb -0.02 0.91 -0.02 0.00 0.00 0.00 0.00 23.12 23.99 2fs9 s ALA 104 CO 0.07 -0.90 -0.19 -0.51 0.00 0.00 0.00 175.76 174.23 2fs9 s LEU 105 N -2.92 2.06 -0.19 0.00 1.43 0.15 -1.74 118.68 117.46 2fs9 s LEU 105 Ca 0.13 -0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 52.85 2fs9 s LEU 105 Cb -0.03 -0.95 0.01 0.00 0.03 0.00 0.00 46.19 45.25 2fs9 s LEU 105 CO 0.03 0.21 -0.14 -0.76 0.23 0.00 0.00 176.35 175.92 2fs9 s LEU 106 N -0.57 2.42 -0.25 1.79 1.02 0.49 -0.30 118.68 123.28 2fs9 s LEU 106 Ca 0.07 -0.54 -0.10 0.00 0.02 0.00 0.00 54.13 53.58 2fs9 s LEU 106 Cb -0.07 -1.58 -0.05 0.00 0.02 0.00 0.00 46.19 44.51 2fs9 s LEU 106 CO -0.00 0.00 0.15 -0.70 0.02 0.00 0.00 176.35 175.82 2fs9 s GLU 107 N 1.31 3.97 0.44 1.70 2.12 -0.23 -0.48 118.70 127.52 2fs9 s GLU 107 Ca 0.04 -0.32 -0.21 0.00 0.36 0.00 0.00 54.97 54.84 2fs9 s GLU 107 Cb -0.14 -3.53 -0.11 0.00 0.26 0.00 0.00 34.13 30.62 2fs9 s GLU 107 CO -0.08 -0.04 0.96 -0.51 -0.54 0.00 0.00 175.26 175.04 2fs9 s LEU 108 N 1.32 3.91 0.45 2.70 1.43 -0.18 0.67 118.68 128.99 2fs9 s LEU 108 Ca 0.07 1.70 0.24 0.00 -1.03 0.00 0.00 54.13 55.10 2fs9 s LEU 108 Cb -0.14 -4.54 1.05 0.00 0.03 0.00 0.00 46.19 42.58 2fs9 s LEU 108 CO 0.06 -0.40 1.89 -0.33 0.23 0.00 0.00 176.35 177.81 2fs9 h GLU 109 N 1.83 0.00 -4.93 1.70 5.08 -1.85 -3.41 114.58 113.00 2fs9 h GLU 109 Ca -0.49 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 57.51 2fs9 h GLU 109 Cb 1.18 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.20 2fs9 h GLU 109 CO 0.61 0.22 -0.76 -2.00 -1.00 0.00 0.00 179.01 176.08 2fs9 s GLU 110 N -3.85 0.70 0.41 2.33 2.56 -1.26 -5.01 118.70 114.59 2fs9 s GLU 110 Ca -0.01 -0.72 -0.24 0.00 0.00 0.00 0.00 54.97 54.00 2fs9 s GLU 110 Cb 0.11 -0.62 -0.08 0.00 2.00 0.00 0.00 34.13 35.54 2fs9 s GLU 110 CO 0.63 0.14 1.10 -1.25 -0.56 0.00 0.00 175.26 175.33 2fs9 s PRO 111 N -1.27 4.05 0.24 4.30 0.04 -1.26 -4.73 135.00 136.37 2fs9 s PRO 111 Ca -0.03 1.64 -0.17 0.00 0.04 0.00 0.00 61.00 62.48 2fs9 s PRO 111 Cb -0.08 -2.54 -0.08 0.00 0.04 0.00 0.00 34.50 31.84 2fs9 s PRO 111 CO 0.01 -0.27 0.69 0.08 0.04 0.00 0.00 177.00 177.54 2fs9 s VAL 112 N -1.58 4.67 -0.69 -0.36 1.01 0.88 -4.96 120.40 119.37 2fs9 s VAL 112 Ca 0.59 1.06 -0.19 0.00 0.00 0.00 0.00 61.98 63.44 2fs9 s VAL 112 Cb -0.25 -3.75 0.11 0.00 0.00 0.00 0.00 36.38 32.48 2fs9 s VAL 112 CO 0.32 0.09 0.86 -0.54 0.00 0.00 0.00 175.10 175.82 2fs9 s LYS 113 N -2.30 3.21 1.13 2.72 3.01 -1.26 -4.80 119.74 121.45 2fs9 s LYS 113 Ca 0.45 -1.36 -0.13 0.00 -1.01 0.00 0.00 55.97 53.92 2fs9 s LYS 113 Cb -0.14 -4.40 0.27 0.00 -1.01 0.00 0.00 37.83 32.55 2fs9 s LYS 113 CO 0.20 -1.64 1.04 0.14 0.51 0.00 0.00 175.35 175.59 2fs9 s VAL 114 N 2.87 2.03 0.19 3.17 -7.23 -1.26 -4.96 120.40 115.21 2fs9 s VAL 114 Ca 0.19 0.01 -0.21 0.00 -1.81 0.00 0.00 61.98 60.16 2fs9 s VAL 114 Cb -0.17 -2.13 0.08 0.00 0.56 0.00 0.00 36.38 34.71 2fs9 s VAL 114 CO 0.03 -0.01 1.03 -1.54 -0.31 0.00 0.00 175.10 174.30 2fs9 n SER 115 N -4.79 -1.75 0.27 4.85 3.41 -0.10 -4.95 113.62 110.56 2fs9 n SER 115 Ca 0.04 -1.92 0.16 0.00 -0.26 0.00 0.00 58.87 56.89 2fs9 n SER 115 Cb 0.55 2.84 0.65 0.00 -0.26 0.00 0.00 64.21 67.99 2fs9 n SER 115 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2fs9 h SER 116 N 1.98 0.00 0.60 4.04 4.64 -2.01 -2.96 113.55 119.84 2fs9 h SER 116 Ca -0.27 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.97 2fs9 h SER 116 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 2fs9 h SER 116 CO 0.37 0.04 -1.46 1.57 -0.87 0.00 0.00 176.83 176.47 2fs9 n HIS 117 N -3.15 0.68 -3.48 4.77 -0.00 -1.26 -4.78 115.22 108.01 2fs9 n HIS 117 Ca 0.00 0.21 -0.24 0.00 -0.00 0.00 0.00 57.72 57.70 2fs9 n HIS 117 Cb 0.32 -0.90 -0.13 0.00 -0.00 0.00 0.00 29.99 29.29 2fs9 n HIS 117 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2fs9 s VAL 118 N -3.20 -0.19 0.19 3.57 1.01 -1.12 -4.56 120.40 116.10 2fs9 s VAL 118 Ca -0.04 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.09 2fs9 s VAL 118 Cb 0.10 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.51 2fs9 s VAL 118 CO 0.83 -0.64 0.42 -1.38 0.00 0.00 0.00 175.10 174.32 2fs9 s HIS 119 N 2.11 0.15 0.75 5.22 -3.43 -1.05 -0.92 115.29 118.11 2fs9 s HIS 119 Ca 0.10 -0.51 -0.14 0.00 -0.80 0.00 0.00 55.06 53.71 2fs9 s HIS 119 Cb -0.16 0.18 0.05 0.00 -1.43 0.00 0.00 32.58 31.23 2fs9 s HIS 119 CO -0.32 -0.84 1.19 0.95 -2.00 0.00 0.00 174.74 173.72 2fs9 s THR 120 N -3.93 2.34 0.26 -5.38 -4.23 -1.26 -2.89 115.64 100.55 2fs9 s THR 120 Ca 0.14 0.16 0.02 0.00 -1.18 0.00 0.00 61.69 60.83 2fs9 s THR 120 Cb 0.01 -2.67 -0.03 0.00 1.34 0.00 0.00 72.50 71.15 2fs9 s THR 120 CO -0.00 -0.10 0.42 0.54 -0.54 0.00 0.00 174.62 174.94 2fs9 s VAL 121 N -2.09 5.20 -0.13 2.29 0.11 -0.18 -4.84 120.40 120.76 2fs9 s VAL 121 Ca 0.73 -0.66 -0.11 0.00 -2.93 0.00 0.00 61.98 59.01 2fs9 s VAL 121 Cb -0.28 -3.82 -0.05 0.00 -1.53 0.00 0.00 36.38 30.70 2fs9 s VAL 121 CO 0.47 -0.35 0.22 -0.89 -3.33 0.00 0.00 175.10 171.22 2fs9 s THR 122 N -2.05 5.36 0.39 5.04 2.01 -1.22 -4.65 115.64 120.53 2fs9 s THR 122 Ca 0.37 0.39 -0.20 0.00 0.31 0.00 0.00 61.69 62.56 2fs9 s THR 122 Cb -0.10 -3.52 -0.10 0.00 0.01 0.00 0.00 72.50 68.79 2fs9 s THR 122 CO 0.31 0.52 0.89 -0.76 -0.69 0.00 0.00 174.62 174.89 2fs9 s LEU 123 N -0.38 4.00 0.62 4.42 1.43 -1.26 -1.20 118.68 126.31 2fs9 s LEU 123 Ca 0.15 1.59 -0.12 0.00 -1.03 0.00 0.00 54.13 54.72 2fs9 s LEU 123 Cb -0.13 -4.38 -0.04 0.00 0.03 0.00 0.00 46.19 41.67 2fs9 s LEU 123 CO 0.04 -0.30 1.03 -2.16 0.23 0.00 0.00 176.35 175.19 2fs9 s PRO 124 N -3.05 3.51 0.55 1.29 0.04 -1.26 -4.84 135.00 131.24 2fs9 s PRO 124 Ca 0.59 0.84 -0.17 0.00 0.04 0.00 0.00 61.00 62.30 2fs9 s PRO 124 Cb -0.10 -2.07 -0.06 0.00 0.04 0.00 0.00 34.50 32.31 2fs9 s PRO 124 CO 0.15 -0.64 1.03 -1.25 0.04 0.00 0.00 177.00 176.33 2fs9 s PRO 125 N -4.95 3.60 0.41 0.56 0.04 -1.26 -4.91 135.00 128.49 2fs9 s PRO 125 Ca 0.56 1.17 0.18 0.00 0.04 0.00 0.00 61.00 62.95 2fs9 s PRO 125 Cb -0.12 -2.07 0.96 0.00 0.04 0.00 0.00 34.50 33.31 2fs9 s PRO 125 CO 0.50 -0.58 1.47 0.00 0.04 0.00 0.00 177.00 178.43 2fs9 h ALA 126 N 0.82 1.23 0.00 8.56 0.00 -1.96 -1.54 119.26 126.37 2fs9 h ALA 126 Ca -0.47 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 2fs9 h ALA 126 Cb 1.21 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2fs9 h ALA 126 CO 0.59 -0.23 -2.03 -1.13 0.00 0.00 0.00 179.25 176.45 2fs9 n SER 127 N -2.28 0.06 -4.52 0.00 3.41 -1.26 -4.97 113.62 104.06 2fs9 n SER 127 Ca -0.01 0.03 -0.47 0.00 -0.26 0.00 0.00 58.87 58.16 2fs9 n SER 127 Cb 0.33 1.65 -0.02 0.00 -0.26 0.00 0.00 64.21 65.90 2fs9 n SER 127 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2fs9 n GLU 128 N -2.41 0.79 -0.01 4.33 4.07 -0.58 -4.91 120.64 121.92 2fs9 n GLU 128 Ca -0.11 0.28 -0.00 0.00 -0.06 0.00 0.00 57.16 57.27 2fs9 n GLU 128 Cb 0.71 -1.53 -0.01 0.00 -0.06 0.00 0.00 31.44 30.55 2fs9 n GLU 128 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2fs9 n THR 129 N 0.30 0.08 -2.78 6.31 -2.24 -1.26 -4.97 114.28 109.72 2fs9 n THR 129 Ca 0.14 -0.06 -0.06 0.00 -2.27 0.00 0.00 64.05 61.79 2fs9 n THR 129 Cb 0.28 -0.53 0.01 0.00 -2.10 0.00 0.00 70.33 67.99 2fs9 n THR 129 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2fs9 n PHE 130 N -1.91 -3.46 -1.73 4.78 3.72 -1.26 -4.93 117.46 112.66 2fs9 n PHE 130 Ca -0.02 1.42 -0.40 0.00 -0.05 0.00 0.00 57.45 58.40 2fs9 n PHE 130 Cb 0.40 -4.00 0.02 0.00 -0.94 0.00 0.00 39.48 34.96 2fs9 n PHE 130 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2fs9 n PRO 131 N -0.15 2.00 -1.73 -1.08 -0.02 -1.26 -4.89 135.00 127.88 2fs9 n PRO 131 Ca 0.10 0.72 -0.42 0.00 -2.02 0.00 0.00 63.50 61.87 2fs9 n PRO 131 Cb 0.37 -2.52 -0.03 0.00 -0.02 0.00 0.00 33.50 31.31 2fs9 n PRO 131 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2fs9 s PRO 132 N -2.43 3.75 0.00 0.52 0.04 -1.26 -1.52 135.00 134.10 2fs9 s PRO 132 Ca 0.63 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.93 2fs9 s PRO 132 Cb -0.47 -4.21 0.00 0.00 0.04 0.00 0.00 34.50 29.87 2fs9 s PRO 132 CO 0.56 -1.39 0.00 0.41 0.04 0.00 0.00 177.00 176.62 2fs9 n GLY 133 N 4.95 1.31 3.60 0.56 0.00 -0.54 -4.96 105.19 110.11 2fs9 n GLY 133 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 2fs9 n GLY 133 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2fs9 s MET 134 N 0.00 3.41 -0.36 1.61 0.00 -0.58 -4.77 119.30 118.62 2fs9 s MET 134 Ca 0.00 1.27 -0.37 0.00 0.00 0.00 0.00 55.69 56.60 2fs9 s MET 134 Cb 0.00 -4.15 -0.13 0.00 0.00 0.00 0.00 34.83 30.56 2fs9 s MET 134 CO 0.00 -1.77 2.15 -0.35 0.00 0.00 0.00 175.02 175.05 2fs9 n PRO 135 N 8.33 0.97 -4.37 4.11 -0.04 -1.26 -4.05 135.00 138.69 2fs9 n PRO 135 Ca 0.21 0.27 -0.21 0.00 -0.04 0.00 0.00 63.50 63.73 2fs9 n PRO 135 Cb 0.47 -2.32 -0.10 0.00 -0.04 0.00 0.00 33.50 31.50 2fs9 n PRO 135 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2fs9 s TRP 137 N -2.58 1.92 -0.04 0.00 0.52 0.14 -0.66 118.94 118.24 2fs9 s TRP 137 Ca 0.22 -0.38 0.06 0.00 0.02 0.00 0.00 56.10 56.01 2fs9 s TRP 137 Cb -0.03 -1.14 -0.01 0.00 -1.15 0.00 0.00 33.47 31.14 2fs9 s TRP 137 CO 0.09 0.11 -0.21 0.54 0.02 0.00 0.00 176.95 177.49 2fs9 s VAL 138 N -0.82 1.74 0.14 4.03 0.11 -0.79 -0.35 120.40 124.46 2fs9 s VAL 138 Ca 0.08 -0.91 0.07 0.00 -2.93 0.00 0.00 61.98 58.30 2fs9 s VAL 138 Cb -0.09 -1.47 -0.04 0.00 -1.53 0.00 0.00 36.38 33.25 2fs9 s VAL 138 CO 0.02 0.49 -0.16 0.42 -3.33 0.00 0.00 175.10 172.54 2fs9 s THR 139 N -0.20 1.53 0.00 5.04 -4.23 -1.20 -2.07 115.64 114.51 2fs9 s THR 139 Ca -0.00 -1.81 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 2fs9 s THR 139 Cb -0.11 -1.67 0.00 0.00 1.34 0.00 0.00 72.50 72.06 2fs9 s THR 139 CO 0.02 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 174.33 2fs9 n GLY 140 N 0.42 -0.44 0.99 3.99 0.00 -0.84 -4.45 105.19 104.86 2fs9 n GLY 140 Ca -0.14 -1.20 0.08 0.00 0.00 0.00 0.00 46.02 44.75 2fs9 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2fs9 n TRP 141 N -0.75 1.03 -0.91 1.61 8.01 -1.26 -1.58 117.44 123.58 2fs9 n TRP 141 Ca 0.00 -0.81 -0.30 0.00 -1.31 0.00 0.00 57.50 55.08 2fs9 n TRP 141 Cb 0.00 -0.30 0.26 0.00 -2.01 0.00 0.00 31.31 29.26 2fs9 n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 2fs9 s GLY 142 N -1.67 1.55 0.68 6.99 0.00 -1.24 -4.64 107.32 108.97 2fs9 s GLY 142 Ca 0.42 -1.01 -0.17 0.00 0.00 0.00 0.00 44.72 43.96 2fs9 s GLY 142 CO 0.11 -0.06 0.78 1.22 0.00 0.00 0.00 173.10 175.15 2fs9 n ASP 143 N -5.05 -0.14 -0.17 1.64 8.00 -0.35 -2.15 116.55 118.33 2fs9 n ASP 143 Ca 0.14 0.68 0.13 0.00 0.71 0.00 0.00 54.79 56.46 2fs9 n ASP 143 Cb 0.60 -1.32 0.41 0.00 -0.02 0.00 0.00 41.12 40.80 2fs9 n ASP 143 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2fs9 n VAL 144 N -2.20 0.00 -3.58 2.53 0.24 -0.06 0.63 118.33 115.89 2fs9 n VAL 144 Ca 0.12 -0.09 0.02 0.00 -2.04 0.00 0.00 64.34 62.36 2fs9 n VAL 144 Cb 0.49 0.24 -0.00 0.00 -1.47 0.00 0.00 33.84 33.09 2fs9 n VAL 144 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2fs9 s ASP 145 N -2.59 -0.03 -0.31 -1.34 -1.08 -1.21 -4.34 116.67 105.77 2fs9 s ASP 145 Ca 0.23 -0.05 -0.39 0.00 -0.52 0.00 0.00 52.55 51.82 2fs9 s ASP 145 Cb 0.19 0.07 -0.15 0.00 -1.46 0.00 0.00 42.92 41.57 2fs9 s ASP 145 CO 0.54 -0.12 1.91 0.59 0.52 0.00 0.00 175.17 178.60 2fs9 n ASN 146 N -0.44 2.24 -1.85 -0.34 3.02 -1.26 -0.47 115.26 116.15 2fs9 n ASN 146 Ca -0.08 0.86 -0.19 0.00 -0.03 0.00 0.00 54.58 55.14 2fs9 n ASN 146 Cb 0.63 -1.16 -0.04 0.00 -0.61 0.00 0.00 39.78 38.60 2fs9 n ASN 146 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2fs9 n ASP 147 N 6.85 -5.32 -3.91 6.41 2.03 -1.26 -4.96 116.55 116.38 2fs9 n ASP 147 Ca 0.33 0.16 -0.30 0.00 0.52 0.00 0.00 54.79 55.50 2fs9 n ASP 147 Cb 0.15 -4.41 -0.15 0.00 -0.72 0.00 0.00 41.12 35.99 2fs9 n ASP 147 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2fs9 s GLU 149 N -4.41 1.32 0.79 -0.67 2.12 0.38 -5.10 118.70 113.14 2fs9 s GLU 149 Ca 0.00 -1.35 -0.11 0.00 0.36 0.00 0.00 54.97 53.86 2fs9 s GLU 149 Cb 0.00 -2.65 0.07 0.00 0.26 0.00 0.00 34.13 31.81 2fs9 s GLU 149 CO 0.00 -0.84 1.12 1.03 -0.54 0.00 0.00 175.26 176.03 2fs9 s ARG 150 N 1.27 2.00 0.00 4.30 1.81 -1.26 -0.88 118.95 126.19 2fs9 s ARG 150 Ca 0.05 1.35 0.00 0.00 -1.72 0.00 0.00 55.73 55.41 2fs9 s ARG 150 Cb -0.18 -1.86 0.00 0.00 -0.45 0.00 0.00 34.95 32.46 2fs9 s ARG 150 CO -0.12 -1.86 0.00 -0.11 -0.68 0.00 0.00 175.30 172.53 2fs9 n LEU 151 N -3.48 0.00 -0.28 2.53 7.94 -1.26 -4.43 117.00 118.02 2fs9 n LEU 151 Ca 0.10 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.00 2fs9 n LEU 151 Cb 0.52 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.47 2fs9 n LEU 151 CO 0.51 -0.29 0.00 -0.81 -1.11 0.00 0.00 177.39 175.69 2fs9 n PRO 152 N -0.34 0.00 -3.01 1.96 -0.04 -1.26 -5.03 135.00 127.28 2fs9 n PRO 152 Ca 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.38 2fs9 n PRO 152 Cb 0.00 -0.42 0.04 0.00 -0.04 0.00 0.00 33.50 33.08 2fs9 n PRO 152 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2fs9 n PHE 153 N 0.00 -2.45 -2.72 0.54 3.72 -1.26 -3.78 117.46 111.51 2fs9 n PHE 153 Ca 0.00 0.89 -0.40 0.00 -0.05 0.00 0.00 57.45 57.89 2fs9 n PHE 153 Cb 0.00 -3.93 -0.06 0.00 -0.94 0.00 0.00 39.48 34.55 2fs9 n PHE 153 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2fs9 s PRO 154 N -3.70 4.82 0.17 -1.08 0.04 -1.26 -1.25 135.00 132.74 2fs9 s PRO 154 Ca 0.23 1.52 -0.32 0.00 0.04 0.00 0.00 61.00 62.48 2fs9 s PRO 154 Cb -0.03 -3.28 -0.11 0.00 0.04 0.00 0.00 34.50 31.12 2fs9 s PRO 154 CO 0.68 0.46 1.72 -1.17 0.04 0.00 0.00 177.00 178.73 2fs9 s LEU 155 N -1.10 4.38 0.38 -3.56 2.96 -0.59 -4.82 118.68 116.33 2fs9 s LEU 155 Ca 0.42 2.78 0.08 0.00 -0.22 0.00 0.00 54.13 57.19 2fs9 s LEU 155 Cb -0.26 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 42.82 2fs9 s LEU 155 CO 0.33 -0.96 0.37 -0.54 -1.32 0.00 0.00 176.35 174.23 2fs9 s LYS 156 N 1.66 2.67 0.03 1.98 1.02 -0.62 -1.43 119.74 125.04 2fs9 s LYS 156 Ca 0.76 -1.38 -0.14 0.00 0.02 0.00 0.00 55.97 55.22 2fs9 s LYS 156 Cb -0.47 -2.48 0.02 0.00 -0.52 0.00 0.00 37.83 34.38 2fs9 s LYS 156 CO 0.33 -0.07 0.31 1.14 -0.92 0.00 0.00 175.35 176.13 2fs9 s GLN 157 N -4.10 0.77 -0.23 1.68 -2.07 -0.37 -1.99 119.66 113.36 2fs9 s GLN 157 Ca 0.46 -0.41 -0.22 0.00 -1.82 0.00 0.00 55.36 53.38 2fs9 s GLN 157 Cb -0.05 0.34 0.06 0.00 -1.09 0.00 0.00 33.01 32.26 2fs9 s GLN 157 CO 0.28 -0.24 0.62 0.54 -1.32 0.00 0.00 175.29 175.17 2fs9 s VAL 158 N -2.17 0.00 -0.24 3.63 0.11 -0.88 -1.36 120.40 119.48 2fs9 s VAL 158 Ca -0.08 -0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 58.73 2fs9 s VAL 158 Cb -0.02 -0.86 -0.01 0.00 -1.53 0.00 0.00 36.38 33.96 2fs9 s VAL 158 CO -0.01 -0.00 0.82 -0.75 -3.33 0.00 0.00 175.10 171.83 2fs9 s LYS 159 N 0.28 4.19 -0.05 1.54 2.20 -1.26 -1.88 119.74 124.75 2fs9 s LYS 159 Ca -0.00 0.92 0.06 0.00 -0.36 0.00 0.00 55.97 56.59 2fs9 s LYS 159 Cb -0.04 -3.64 -0.01 0.00 -1.51 0.00 0.00 37.83 32.63 2fs9 s LYS 159 CO 0.01 -0.50 -0.24 0.14 -0.36 0.00 0.00 175.35 174.40 2fs9 s VAL 160 N 2.78 1.98 -0.07 4.02 -7.23 0.16 -4.92 120.40 117.12 2fs9 s VAL 160 Ca 0.34 -1.03 -0.30 0.00 -1.81 0.00 0.00 61.98 59.19 2fs9 s VAL 160 Cb -0.15 -1.67 -0.02 0.00 0.56 0.00 0.00 36.38 35.10 2fs9 s VAL 160 CO 0.08 0.55 1.00 -2.16 -0.31 0.00 0.00 175.10 174.25 2fs9 s PRO 161 N -0.17 4.47 0.40 4.82 0.04 -1.26 -3.06 135.00 140.23 2fs9 s PRO 161 Ca -0.03 1.40 -0.25 0.00 0.04 0.00 0.00 61.00 62.16 2fs9 s PRO 161 Cb -0.13 -3.51 -0.08 0.00 0.04 0.00 0.00 34.50 30.81 2fs9 s PRO 161 CO 0.03 -0.22 1.17 0.42 0.04 0.00 0.00 177.00 178.44 2fs9 s ILE 162 N 1.66 3.13 0.06 0.56 1.01 -1.26 -1.85 121.20 124.51 2fs9 s ILE 162 Ca 0.50 0.95 0.06 0.00 0.00 0.00 0.00 60.65 62.16 2fs9 s ILE 162 Cb -0.19 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.72 2fs9 s ILE 162 CO 0.21 0.09 -0.16 -0.04 0.00 0.00 0.00 174.94 175.04 2fs9 s MET 163 N -2.29 1.02 0.33 2.79 -1.94 -0.81 -1.46 119.30 116.94 2fs9 s MET 163 Ca 0.57 -0.89 -0.28 0.00 -1.71 0.00 0.00 55.69 53.38 2fs9 s MET 163 Cb -0.31 -1.09 -0.13 0.00 2.01 0.00 0.00 34.83 35.32 2fs9 s MET 163 CO 0.39 0.26 1.20 0.39 -0.01 0.00 0.00 175.02 177.25 2fs9 n GLU 164 N 1.63 1.88 -0.12 2.03 1.02 -1.26 -4.38 120.64 121.44 2fs9 n GLU 164 Ca -0.19 0.66 -0.05 0.00 -0.02 0.00 0.00 57.16 57.56 2fs9 n GLU 164 Cb 0.54 -2.18 0.01 0.00 -0.02 0.00 0.00 31.44 29.80 2fs9 n GLU 164 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 2fs9 h ASN 165 N 2.35 -0.63 -0.72 1.62 -1.24 -1.94 -1.50 115.58 113.53 2fs9 h ASN 165 Ca -0.44 0.15 0.01 0.00 0.71 0.00 0.00 56.30 56.74 2fs9 h ASN 165 Cb 1.30 0.35 -0.04 0.00 0.73 0.00 0.00 38.32 40.66 2fs9 h ASN 165 CO 0.62 -0.22 0.47 -0.74 -1.29 0.00 0.00 177.43 176.27 2fs9 h HIS 166 N -0.10 0.88 -0.83 0.67 2.76 -1.93 -1.67 115.15 114.93 2fs9 h HIS 166 Ca 0.20 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.43 2fs9 h HIS 166 Cb 0.41 -0.30 -0.05 0.00 1.55 0.00 0.00 27.41 29.02 2fs9 h HIS 166 CO -0.43 0.54 0.53 0.82 -1.30 0.00 0.00 177.93 178.09 2fs9 h ILE 167 N 0.94 1.11 -0.37 6.26 1.08 -1.67 0.52 117.51 125.39 2fs9 h ILE 167 Ca 0.27 -0.35 -0.16 0.00 -0.39 0.00 0.00 64.86 64.24 2fs9 h ILE 167 Cb -0.07 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 33.68 2fs9 h ILE 167 CO -0.07 0.19 -0.38 0.00 -0.69 0.00 0.00 178.15 177.19 2fs9 h ASP 169 N 0.72 1.13 -0.10 0.00 3.58 -0.89 -1.68 116.42 119.19 2fs9 h ASP 169 Ca 0.06 -0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 2fs9 h ASP 169 Cb 0.97 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 41.73 2fs9 h ASP 169 CO 0.09 0.84 0.03 0.00 -2.88 0.00 0.00 179.24 177.32 2fs9 h ALA 170 N 1.36 0.14 -0.52 -0.78 0.00 -0.60 -3.04 119.26 115.81 2fs9 h ALA 170 Ca 0.35 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.18 2fs9 h ALA 170 Cb -0.11 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 2fs9 h ALA 170 CO -0.07 -0.24 0.26 0.87 0.00 0.00 0.00 179.25 180.07 2fs9 h LYS 171 N -0.03 0.49 0.00 0.00 1.57 -0.79 -0.66 116.57 117.15 2fs9 h LYS 171 Ca 0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2fs9 h LYS 171 Cb 0.24 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2fs9 h LYS 171 CO -0.00 0.33 0.04 1.88 -0.57 0.00 0.00 179.45 181.12 2fs9 h TYR 172 N 0.51 0.00 0.00 -1.35 -1.99 -1.22 0.75 116.97 113.67 2fs9 h TYR 172 Ca 0.23 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.86 2fs9 h TYR 172 Cb 0.15 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.86 2fs9 h TYR 172 CO -0.10 0.00 -0.74 0.45 -0.00 0.00 0.00 178.16 177.77 2fs9 h HIS 173 N 0.00 0.00 -2.60 4.88 3.86 -1.01 -3.42 115.15 116.86 2fs9 h HIS 173 Ca 0.00 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.66 2fs9 h HIS 173 Cb 0.07 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.54 2fs9 h HIS 173 CO 0.00 0.45 1.09 -0.51 0.86 0.00 0.00 177.93 179.82 2fs9 s LEU 173 N -6.19 4.33 -0.05 2.43 1.43 0.25 -1.55 118.68 119.34 2fs9 s LEU 173 Ca 0.02 2.29 -0.00 0.00 -1.03 0.00 0.00 54.13 55.41 2fs9 s LEU 173 Cb 0.08 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.76 2fs9 s LEU 173 CO 0.76 -0.93 0.00 0.61 0.23 0.00 0.00 176.35 177.02 2fs9 n GLY 173 N 4.15 0.38 3.08 -3.19 0.00 -1.26 -5.03 105.19 103.32 2fs9 n GLY 173 Ca 0.17 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 45.24 2fs9 n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fs9 s ALA 173 N -2.08 0.56 -0.55 4.61 0.00 -0.60 -5.04 121.76 118.67 2fs9 s ALA 173 Ca 0.00 -1.03 0.24 0.00 0.00 0.00 0.00 51.96 51.17 2fs9 s ALA 173 Cb -0.00 0.17 0.35 0.00 0.00 0.00 0.00 23.12 23.64 2fs9 s ALA 173 CO 0.00 -0.22 1.36 1.88 0.00 0.00 0.00 175.76 178.78 2fs9 h TYR 173 N 3.68 0.00 -2.69 0.00 0.05 -1.94 -3.47 116.97 112.59 2fs9 h TYR 173 Ca -0.34 0.00 -0.55 0.00 0.05 0.00 0.00 58.73 57.88 2fs9 h TYR 173 Cb 1.17 0.00 0.07 0.00 1.01 0.00 0.00 36.73 38.98 2fs9 h TYR 173 CO 0.60 0.00 0.84 2.41 -1.05 0.00 0.00 178.16 180.96 2fs9 n THR 173 N -2.35 0.42 0.00 -2.88 -1.04 -1.26 -5.17 114.28 102.00 2fs9 n THR 173 Ca 0.03 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 2fs9 n THR 173 Cb 0.47 -1.75 0.00 0.00 -1.82 0.00 0.00 70.33 67.23 2fs9 n THR 173 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2fs9 n GLY 173 N 3.04 -3.34 0.00 3.41 0.00 -1.26 -4.92 105.19 102.12 2fs9 n GLY 173 Ca 0.14 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2fs9 n GLY 173 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2fs9 n ASP 173 N 0.00 0.00 -4.60 1.61 8.00 -1.26 -4.74 116.55 115.55 2fs9 n ASP 173 Ca 0.00 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.10 2fs9 n ASP 173 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 2fs9 n ASP 173 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2fs9 s VAL 173 N 0.00 5.11 0.11 2.53 1.01 -1.26 -5.03 120.40 122.87 2fs9 s VAL 173 Ca 0.00 0.69 -0.31 0.00 0.00 0.00 0.00 61.98 62.36 2fs9 s VAL 173 Cb 0.00 -3.79 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 2fs9 s VAL 173 CO 0.00 0.08 1.25 -0.13 0.00 0.00 0.00 175.10 176.30 2fs9 s ARG 174 N 2.22 4.42 -0.17 2.72 1.81 -1.26 -4.91 118.95 123.78 2fs9 s ARG 174 Ca 0.18 1.88 -0.10 0.00 -1.72 0.00 0.00 55.73 55.98 2fs9 s ARG 174 Cb -0.16 -3.29 -0.07 0.00 -0.45 0.00 0.00 34.95 30.98 2fs9 s ARG 174 CO 0.10 -0.25 -0.24 -0.89 -0.68 0.00 0.00 175.30 173.34 2fs9 n ILE 175 N 3.49 1.08 -3.26 1.52 5.41 -1.26 -4.84 119.36 121.50 2fs9 n ILE 175 Ca 0.08 -0.17 -0.42 0.00 1.00 0.00 0.00 62.75 63.24 2fs9 n ILE 175 Cb 0.45 -1.81 -0.08 0.00 -0.71 0.00 0.00 39.64 37.49 2fs9 n ILE 175 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2fs9 s VAL 176 N -2.38 5.02 0.58 1.39 1.01 -1.26 -4.99 120.40 119.77 2fs9 s VAL 176 Ca -0.25 0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.87 2fs9 s VAL 176 Cb 0.09 -3.99 0.04 0.00 0.00 0.00 0.00 36.38 32.52 2fs9 s VAL 176 CO 0.32 -0.29 0.82 -0.13 0.00 0.00 0.00 175.10 175.81 2fs9 s ARG 177 N 2.35 2.44 0.64 2.72 0.52 -1.26 -4.76 118.95 121.61 2fs9 s ARG 177 Ca 0.17 -0.73 0.42 0.00 -0.52 0.00 0.00 55.73 55.06 2fs9 s ARG 177 Cb -0.16 -2.43 2.19 0.00 0.52 0.00 0.00 34.95 35.06 2fs9 s ARG 177 CO 0.14 -0.83 2.29 -0.44 0.02 0.00 0.00 175.30 176.48 2fs9 h ASP 178 N -0.06 0.00 -0.51 0.23 3.32 -1.98 -1.45 116.42 115.98 2fs9 h ASP 178 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 2fs9 h ASP 178 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 2fs9 h ASP 178 CO 0.53 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.15 2fs9 n ASP 179 N -3.14 3.99 -4.45 6.45 5.75 -1.26 -4.89 116.55 119.00 2fs9 n ASP 179 Ca -0.02 -2.41 -0.23 0.00 -0.01 0.00 0.00 54.79 52.12 2fs9 n ASP 179 Cb 0.12 -0.53 -0.10 0.00 -1.03 0.00 0.00 41.12 39.58 2fs9 n ASP 179 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 2fs9 s MET 180 N -1.87 1.62 0.08 0.11 -1.94 -0.55 -1.18 119.30 115.57 2fs9 s MET 180 Ca 0.41 -1.75 0.01 0.00 -1.71 0.00 0.00 55.69 52.65 2fs9 s MET 180 Cb 0.27 -1.63 -0.04 0.00 2.01 0.00 0.00 34.83 35.44 2fs9 s MET 180 CO 0.18 0.28 -0.06 -1.17 -0.01 0.00 0.00 175.02 174.25 2fs9 s LEU 181 N -3.48 2.47 0.04 -0.03 0.20 0.13 -4.60 118.68 113.42 2fs9 s LEU 181 Ca 0.29 -0.94 -0.02 0.00 0.69 0.00 0.00 54.13 54.15 2fs9 s LEU 181 Cb -0.03 -0.01 -0.03 0.00 -0.43 0.00 0.00 46.19 45.69 2fs9 s LEU 181 CO 0.14 -0.47 0.01 0.00 -0.29 0.00 0.00 176.35 175.74 2fs9 s ALA 183 N -2.95 -1.82 0.00 0.00 0.00 -0.51 -1.91 121.76 114.56 2fs9 s ALA 183 Ca -0.02 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.02 2fs9 s ALA 183 Cb 0.01 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.39 2fs9 s ALA 183 CO -0.06 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.49 2fs9 n GLY 184 N -0.05 1.14 0.00 0.00 0.00 -0.77 -2.06 105.19 103.45 2fs9 n GLY 184 Ca -0.10 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.74 2fs9 n GLY 184 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2fs9 n ASN 185 N 0.00 0.00 0.00 1.61 0.23 -0.03 -4.78 115.26 112.29 2fs9 n ASN 185 Ca 0.00 -0.41 0.08 0.00 -0.53 0.00 0.00 54.58 53.72 2fs9 n ASN 185 Cb 0.00 0.00 0.42 0.00 -2.08 0.00 0.00 39.78 38.12 2fs9 n ASN 185 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2fs9 n THR 186 N 0.00 0.55 -0.00 5.53 -2.24 -1.26 -3.07 114.28 113.78 2fs9 n THR 186 Ca 0.00 0.14 0.01 0.00 -2.27 0.00 0.00 64.05 61.93 2fs9 n THR 186 Cb 0.00 -0.86 -0.03 0.00 -2.10 0.00 0.00 70.33 67.34 2fs9 n THR 186 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2fs9 n ARG 187 N -1.31 0.51 -4.22 -0.78 1.74 -1.26 -4.81 116.66 106.53 2fs9 n ARG 187 Ca 0.08 -0.03 -0.22 0.00 -0.77 0.00 0.00 57.85 56.91 2fs9 n ARG 187 Cb 0.14 -1.09 -0.16 0.00 -1.02 0.00 0.00 32.46 30.32 2fs9 n ARG 187 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2fs9 s ARG 188 N -2.24 1.05 0.08 5.56 0.52 -1.18 -3.66 118.95 119.08 2fs9 s ARG 188 Ca -0.01 -0.17 -0.27 0.00 -0.52 0.00 0.00 55.73 54.76 2fs9 s ARG 188 Cb 0.02 -1.01 0.09 0.00 0.52 0.00 0.00 34.95 34.57 2fs9 s ARG 188 CO 0.16 -0.08 1.13 0.34 0.02 0.00 0.00 175.30 176.86 2fs9 s ASP 189 N 0.97 -0.09 0.36 0.23 -1.08 -1.09 -0.85 116.67 115.12 2fs9 s ASP 189 Ca -0.10 -0.32 0.07 0.00 -0.52 0.00 0.00 52.55 51.68 2fs9 s ASP 189 Cb -0.14 0.33 -0.01 0.00 -1.46 0.00 0.00 42.92 41.64 2fs9 s ASP 189 CO 0.00 -0.63 0.45 -0.94 0.52 0.00 0.00 175.17 174.58 2fs9 s SER 190 N -3.09 5.68 0.34 -0.34 1.04 -1.26 -0.37 113.70 115.71 2fs9 s SER 190 Ca 0.16 -0.35 -0.12 0.00 0.48 0.00 0.00 55.95 56.11 2fs9 s SER 190 Cb 0.01 -0.98 0.03 0.00 0.10 0.00 0.00 66.02 65.18 2fs9 s SER 190 CO 0.00 -0.52 0.64 0.00 0.98 0.00 0.00 173.24 174.34 2fs9 n GLN 192 N -0.51 0.60 0.00 0.00 3.00 -1.26 -0.42 117.38 118.80 2fs9 n GLN 192 Ca -0.04 0.21 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 2fs9 n GLN 192 Cb 0.61 -1.87 0.00 0.00 0.00 0.00 0.00 30.24 28.98 2fs9 n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2fs9 n GLY 193 N 5.00 2.07 0.02 1.08 0.00 -1.26 -1.21 105.19 110.89 2fs9 n GLY 193 Ca 0.35 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.48 2fs9 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2fs9 n ASP 194 N 0.00 0.63 -4.53 1.61 8.00 0.44 -3.70 116.55 119.00 2fs9 n ASP 194 Ca 0.00 -0.26 -0.43 0.00 0.71 0.00 0.00 54.79 54.81 2fs9 n ASP 194 Cb 0.00 0.54 -0.00 0.00 -0.02 0.00 0.00 41.12 41.64 2fs9 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2fs9 n SER 195 N -1.78 0.28 0.00 -2.24 7.64 -1.26 -0.85 113.62 115.40 2fs9 n SER 195 Ca 0.04 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.97 2fs9 n SER 195 Cb 0.39 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 2fs9 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2fs9 n GLY 196 N 1.49 2.98 3.68 0.23 0.00 -0.30 0.34 105.19 113.61 2fs9 n GLY 196 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 2fs9 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fs9 s GLY 197 N -1.36 1.56 0.29 -0.02 0.00 -0.03 -3.30 107.32 104.47 2fs9 s GLY 197 Ca 0.00 -0.47 -0.05 0.00 0.00 0.00 0.00 44.72 44.20 2fs9 s GLY 197 CO 0.00 0.18 0.55 2.56 0.00 0.00 0.00 173.10 176.39 2fs9 s PRO 198 N -5.05 3.63 -0.29 2.90 0.04 -1.26 -0.95 135.00 134.01 2fs9 s PRO 198 Ca 0.66 -0.01 0.02 0.00 0.04 0.00 0.00 61.00 61.71 2fs9 s PRO 198 Cb -0.17 -2.65 0.09 0.00 0.04 0.00 0.00 34.50 31.81 2fs9 s PRO 198 CO 0.57 0.21 0.02 -1.17 0.04 0.00 0.00 177.00 176.67 2fs9 s LEU 199 N -3.58 3.33 0.06 -3.56 0.20 -0.40 -3.21 118.68 111.52 2fs9 s LEU 199 Ca 0.44 -1.67 0.04 0.00 0.69 0.00 0.00 54.13 53.63 2fs9 s LEU 199 Cb -0.11 -1.28 -0.04 0.00 -0.43 0.00 0.00 46.19 44.34 2fs9 s LEU 199 CO 0.30 -0.34 -0.01 0.68 -0.29 0.00 0.00 176.35 176.69 2fs9 s VAL 200 N 1.26 3.97 -0.01 1.68 -7.23 0.53 -0.73 120.40 119.86 2fs9 s VAL 200 Ca 0.04 -0.89 0.02 0.00 -1.81 0.00 0.00 61.98 59.35 2fs9 s VAL 200 Cb -0.19 -2.84 -0.00 0.00 0.56 0.00 0.00 36.38 33.91 2fs9 s VAL 200 CO -0.12 0.21 -0.08 0.00 -0.31 0.00 0.00 175.10 174.80 2fs9 s LYS 202 N -0.01 3.38 -0.29 0.00 2.20 -1.26 -1.15 119.74 122.61 2fs9 s LYS 202 Ca 0.00 -0.18 -0.06 0.00 -0.36 0.00 0.00 55.97 55.37 2fs9 s LYS 202 Cb -0.05 -3.93 0.01 0.00 -1.51 0.00 0.00 37.83 32.34 2fs9 s LYS 202 CO -0.00 -1.06 0.07 0.08 -0.36 0.00 0.00 175.35 174.08 2fs9 s VAL 203 N 3.11 3.90 -0.93 4.02 1.01 0.83 -4.65 120.40 127.69 2fs9 s VAL 203 Ca 0.27 -0.70 -0.09 0.00 0.00 0.00 0.00 61.98 61.47 2fs9 s VAL 203 Cb -0.13 -3.00 -0.00 0.00 0.00 0.00 0.00 36.38 33.25 2fs9 s VAL 203 CO 0.21 0.10 0.70 0.59 0.00 0.00 0.00 175.10 176.70 2fs9 n ASN 204 N 4.86 -5.82 -1.88 3.32 3.02 -1.26 -1.67 115.26 115.82 2fs9 n ASN 204 Ca -0.15 -0.75 -0.12 0.00 -0.03 0.00 0.00 54.58 53.53 2fs9 n ASN 204 Cb 0.48 -3.29 -0.03 0.00 -0.61 0.00 0.00 39.78 36.33 2fs9 n ASN 204 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2fs9 n GLY 205 N -1.71 0.37 2.75 7.41 0.00 -1.26 -4.94 105.19 107.81 2fs9 n GLY 205 Ca -0.14 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.70 2fs9 n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fs9 s THR 206 N -2.32 0.01 -0.12 2.61 2.01 -0.67 -5.12 115.64 112.03 2fs9 s THR 206 Ca 0.00 0.24 -0.29 0.00 0.31 0.00 0.00 61.69 61.95 2fs9 s THR 206 Cb 0.00 -0.18 -0.02 0.00 0.01 0.00 0.00 72.50 72.32 2fs9 s THR 206 CO 0.00 0.14 1.17 0.26 -0.69 0.00 0.00 174.62 175.50 2fs9 s TRP 207 N 1.45 3.15 -0.05 4.92 0.52 -1.26 -0.12 118.94 127.54 2fs9 s TRP 207 Ca -0.04 1.24 0.06 0.00 0.02 0.00 0.00 56.10 57.38 2fs9 s TRP 207 Cb -0.13 -3.39 -0.02 0.00 -1.15 0.00 0.00 33.47 28.78 2fs9 s TRP 207 CO -0.03 -1.16 -0.24 -0.51 0.02 0.00 0.00 176.95 175.03 2fs9 s LEU 208 N 2.75 2.17 -0.61 2.99 1.43 -0.30 -3.39 118.68 123.71 2fs9 s LEU 208 Ca 0.53 -0.45 -0.25 0.00 -1.03 0.00 0.00 54.13 52.92 2fs9 s LEU 208 Cb -0.21 -1.39 0.04 0.00 0.03 0.00 0.00 46.19 44.65 2fs9 s LEU 208 CO 0.17 0.28 1.08 -1.58 0.23 0.00 0.00 176.35 176.52 2fs9 s GLN 209 N -0.35 3.31 0.14 1.70 0.74 -0.34 -1.50 119.66 123.36 2fs9 s GLN 209 Ca 0.02 -0.22 0.08 0.00 0.05 0.00 0.00 55.36 55.29 2fs9 s GLN 209 Cb -0.12 -4.10 -0.18 0.00 1.10 0.00 0.00 33.01 29.71 2fs9 s GLN 209 CO 0.02 -1.72 1.29 0.00 -0.55 0.00 0.00 175.29 174.32 2fs9 h ALA 210 N 9.56 0.40 -2.78 1.58 0.00 -1.28 -3.39 119.26 123.35 2fs9 h ALA 210 Ca -0.27 -0.86 -0.14 0.00 0.00 0.00 0.00 54.91 53.64 2fs9 h ALA 210 Cb 1.06 -0.14 -0.11 0.00 0.00 0.00 0.00 17.79 18.61 2fs9 h ALA 210 CO 1.17 1.18 -0.27 0.20 0.00 0.00 0.00 179.25 181.53 2fs9 s GLY 211 N -4.69 0.92 -0.12 0.00 0.00 -0.85 -2.45 107.32 100.14 2fs9 s GLY 211 Ca 0.01 -1.19 0.00 0.00 0.00 0.00 0.00 44.72 43.54 2fs9 s GLY 211 CO 0.81 -0.89 -0.11 0.14 0.00 0.00 0.00 173.10 173.05 2fs9 s VAL 212 N -3.92 1.27 -0.25 1.40 1.01 -1.06 -1.27 120.40 117.57 2fs9 s VAL 212 Ca 0.28 -0.46 -0.38 0.00 0.00 0.00 0.00 61.98 61.41 2fs9 s VAL 212 Cb 0.01 -1.22 -0.14 0.00 0.00 0.00 0.00 36.38 35.03 2fs9 s VAL 212 CO 0.11 0.40 1.84 0.52 0.00 0.00 0.00 175.10 177.97 2fs9 n VAL 213 N 4.67 0.35 0.00 2.92 0.31 -0.13 -1.18 118.33 125.28 2fs9 n VAL 213 Ca -0.16 -0.09 -0.01 0.00 -0.01 0.00 0.00 64.34 64.08 2fs9 n VAL 213 Cb 0.50 -1.41 -0.00 0.00 -0.91 0.00 0.00 33.84 32.02 2fs9 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2fs9 n SER 214 N 6.22 0.29 -2.96 4.52 2.88 -0.93 -1.15 113.62 122.49 2fs9 n SER 214 Ca 0.28 0.04 -0.08 0.00 -1.33 0.00 0.00 58.87 57.78 2fs9 n SER 214 Cb 0.17 -0.21 0.03 0.00 -0.75 0.00 0.00 64.21 63.45 2fs9 n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2fs9 s TRP 215 N -1.27 0.13 0.00 0.66 1.48 -0.92 -4.91 118.94 114.11 2fs9 s TRP 215 Ca -0.02 -0.76 0.00 0.00 -1.06 0.00 0.00 56.10 54.26 2fs9 s TRP 215 Cb 0.00 0.82 0.00 0.00 -1.16 0.00 0.00 33.47 33.13 2fs9 s TRP 215 CO 0.03 -1.47 0.00 0.41 -4.06 0.00 0.00 176.95 171.86 2fs9 n GLY 216 N -0.57 1.14 3.49 3.67 0.00 -1.26 -0.68 105.19 110.98 2fs9 n GLY 216 Ca -0.08 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 2fs9 n GLY 216 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2fs9 s GLU 217 N -2.00 3.49 2.17 1.61 2.12 -1.26 -4.87 118.70 119.96 2fs9 s GLU 217 Ca 0.00 -1.30 0.00 0.00 0.36 0.00 0.00 54.97 54.03 2fs9 s GLU 217 Cb 0.00 -4.90 0.00 0.00 0.26 0.00 0.00 34.13 29.49 2fs9 s GLU 217 CO 0.00 -1.95 0.00 0.41 -0.54 0.00 0.00 175.26 173.18 2fs9 n GLY 219 N 5.91 -0.94 2.97 -1.50 0.00 -1.26 -4.59 105.19 105.78 2fs9 n GLY 219 Ca 0.21 -1.20 -0.21 0.00 0.00 0.00 0.00 46.02 44.82 2fs9 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fs9 n ALA 221 N 3.72 -0.69 -2.09 0.00 0.00 -1.26 -4.64 120.51 115.54 2fs9 n ALA 221 Ca -0.22 0.13 -0.34 0.00 0.00 0.00 0.00 53.44 53.01 2fs9 n ALA 221 Cb 0.52 -1.80 -0.06 0.00 0.00 0.00 0.00 19.45 18.11 2fs9 n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2fs9 s GLN 221 N -4.98 4.15 0.13 0.00 -1.52 -1.26 -4.16 119.66 112.02 2fs9 s GLN 221 Ca 0.00 0.81 -0.35 0.00 -1.95 0.00 0.00 55.36 53.87 2fs9 s GLN 221 Cb 0.00 -2.64 -0.16 0.00 -0.22 0.00 0.00 33.01 29.99 2fs9 s GLN 221 CO 0.00 0.26 1.35 -2.30 -0.25 0.00 0.00 175.29 174.35 2fs9 n PRO 222 N 0.16 1.40 -1.99 2.91 -0.02 -1.26 -1.54 135.00 134.66 2fs9 n PRO 222 Ca 0.01 0.50 -0.16 0.00 -2.02 0.00 0.00 63.50 61.83 2fs9 n PRO 222 Cb 0.52 -2.14 -0.04 0.00 -0.02 0.00 0.00 33.50 31.83 2fs9 n PRO 222 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2fs9 n ASN 223 N 2.55 -4.59 -3.23 2.55 5.03 -1.26 -4.88 115.26 111.43 2fs9 n ASN 223 Ca 0.17 0.23 -0.24 0.00 0.87 0.00 0.00 54.58 55.61 2fs9 n ASN 223 Cb 0.23 -3.99 -0.07 0.00 -1.02 0.00 0.00 39.78 34.93 2fs9 n ASN 223 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2fs9 n ARG 224 N -2.53 0.99 -1.79 3.52 5.12 -0.59 -3.59 116.66 117.81 2fs9 n ARG 224 Ca -0.18 -3.45 -0.34 0.00 -1.93 0.00 0.00 57.85 51.95 2fs9 n ARG 224 Cb 0.60 -1.37 0.05 0.00 -1.16 0.00 0.00 32.46 30.57 2fs9 n ARG 224 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2fs9 s PRO 225 N -1.38 2.74 0.30 5.56 0.04 -1.26 -4.23 135.00 136.77 2fs9 s PRO 225 Ca 0.36 1.56 -0.30 0.00 0.04 0.00 0.00 61.00 62.67 2fs9 s PRO 225 Cb 0.17 -1.93 -0.11 0.00 0.04 0.00 0.00 34.50 32.67 2fs9 s PRO 225 CO -0.09 -1.33 1.54 0.20 0.04 0.00 0.00 177.00 177.36 2fs9 s GLY 226 N -2.21 2.29 -0.14 0.56 0.00 -0.88 -4.77 107.32 102.18 2fs9 s GLY 226 Ca 0.71 1.51 -0.06 0.00 0.00 0.00 0.00 44.72 46.88 2fs9 s GLY 226 CO 0.39 2.44 0.07 -0.42 0.00 0.00 0.00 173.10 175.57 2fs9 s ILE 227 N -0.19 4.85 0.18 0.90 -1.09 0.14 -1.42 121.20 124.57 2fs9 s ILE 227 Ca 0.61 -0.03 0.07 0.00 -2.23 0.00 0.00 60.65 59.07 2fs9 s ILE 227 Cb -0.46 -3.13 -0.04 0.00 -1.58 0.00 0.00 42.46 37.24 2fs9 s ILE 227 CO 0.49 0.54 -0.14 -0.31 -1.23 0.00 0.00 174.94 174.29 2fs9 s TYR 228 N -0.31 1.61 -0.25 3.97 1.51 0.35 -2.16 117.35 122.07 2fs9 s TYR 228 Ca 0.09 -0.58 -0.25 0.00 -1.01 0.00 0.00 57.07 55.31 2fs9 s TYR 228 Cb -0.12 -0.78 -0.00 0.00 -0.11 0.00 0.00 41.96 40.95 2fs9 s TYR 228 CO 0.02 0.28 0.87 0.99 -1.11 0.00 0.00 175.55 176.59 2fs9 s THR 229 N -2.77 4.79 -0.18 -0.71 2.01 -0.33 0.22 115.64 118.67 2fs9 s THR 229 Ca 0.19 1.60 -0.29 0.00 0.31 0.00 0.00 61.69 63.50 2fs9 s THR 229 Cb -0.02 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 2fs9 s THR 229 CO 0.05 -0.13 1.80 -0.60 -0.69 0.00 0.00 174.62 175.05 2fs9 s ARG 230 N 2.95 3.70 0.15 4.92 3.52 -0.33 -2.58 118.95 131.29 2fs9 s ARG 230 Ca 0.36 1.88 -0.13 0.00 -0.13 0.00 0.00 55.73 57.71 2fs9 s ARG 230 Cb -0.15 -4.13 0.03 0.00 -1.56 0.00 0.00 34.95 29.14 2fs9 s ARG 230 CO 0.08 -1.42 1.68 0.28 -0.81 0.00 0.00 175.30 175.11 2fs9 h VAL 231 N 6.28 1.23 -0.84 7.11 2.07 -1.76 -2.64 116.25 127.70 2fs9 h VAL 231 Ca -0.38 -0.76 0.21 0.00 0.82 0.00 0.00 66.70 66.60 2fs9 h VAL 231 Cb 1.18 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 2fs9 h VAL 231 CO 0.98 0.28 0.58 0.71 0.02 0.00 0.00 177.57 180.14 2fs9 h THR 232 N 0.68 0.65 0.00 2.57 1.35 -1.87 0.10 112.91 116.39 2fs9 h THR 232 Ca 0.16 -0.07 -0.04 0.00 -0.55 0.00 0.00 66.41 65.91 2fs9 h THR 232 Cb 0.26 0.42 -0.01 0.00 -1.73 0.00 0.00 68.15 67.10 2fs9 h THR 232 CO -0.01 0.04 -0.20 0.22 -0.25 0.00 0.00 175.52 175.32 2fs9 h TYR 233 N 0.20 0.00 -0.08 4.73 5.03 -1.84 -3.19 116.97 121.84 2fs9 h TYR 233 Ca 0.42 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.70 2fs9 h TYR 233 Cb 1.33 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.59 2fs9 h TYR 233 CO -0.00 0.20 -0.25 0.66 -1.32 0.00 0.00 178.16 177.45 2fs9 n TYR 234 N -4.00 0.24 -0.20 -3.82 4.01 0.34 -4.75 117.16 108.98 2fs9 n TYR 234 Ca -0.02 -1.32 -0.06 0.00 -0.16 0.00 0.00 57.90 56.33 2fs9 n TYR 234 Cb 0.28 -0.26 0.03 0.00 -0.31 0.00 0.00 39.34 39.08 2fs9 n TYR 234 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2fs9 h LEU 235 N 0.76 0.67 -1.33 7.72 3.38 -1.48 -1.72 115.31 123.31 2fs9 h LEU 235 Ca 0.04 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.00 2fs9 h LEU 235 Cb 1.14 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.69 2fs9 h LEU 235 CO 0.08 0.49 0.46 0.44 0.09 0.00 0.00 178.44 180.00 2fs9 h ASP 236 N 0.78 0.77 -0.24 -0.43 3.45 -1.86 0.13 116.42 119.03 2fs9 h ASP 236 Ca 0.21 -0.02 -0.17 0.00 0.43 0.00 0.00 57.03 57.48 2fs9 h ASP 236 Cb -0.09 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 38.50 2fs9 h ASP 236 CO -0.05 0.55 -0.53 -0.25 -1.57 0.00 0.00 179.24 177.39 2fs9 h TRP 237 N 0.90 0.99 -0.40 4.55 7.01 -1.82 -2.73 115.95 124.45 2fs9 h TRP 237 Ca 0.26 -0.37 -0.04 0.00 2.11 0.00 0.00 58.89 60.86 2fs9 h TRP 237 Cb -0.04 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 26.82 2fs9 h TRP 237 CO -0.00 1.18 0.11 0.82 -2.79 0.00 0.00 178.44 177.76 2fs9 h ILE 238 N 0.52 1.22 0.00 2.65 2.04 -0.76 -2.82 117.51 120.36 2fs9 h ILE 238 Ca 0.00 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.11 2fs9 h ILE 238 Cb 1.14 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 2fs9 h ILE 238 CO 0.12 0.26 0.00 1.41 0.00 0.00 0.00 178.15 179.94 2fs9 n HIS 239 N -4.58 0.52 0.35 1.37 8.25 0.42 -0.31 115.22 121.24 2fs9 n HIS 239 Ca -0.00 0.21 0.14 0.00 -0.26 0.00 0.00 57.72 57.81 2fs9 n HIS 239 Cb 0.19 -0.83 0.55 0.00 1.12 0.00 0.00 29.99 31.02 2fs9 n HIS 239 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2fs9 h HIS 240 N 0.00 0.00 0.00 4.41 -0.00 -1.21 -3.36 115.15 114.99 2fs9 h HIS 240 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2fs9 h HIS 240 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.71 2fs9 h HIS 240 CO 0.00 0.00 -0.99 0.66 -0.00 0.00 0.00 177.93 177.60 2fs9 n TYR 241 N -2.67 0.00 -3.11 5.26 4.01 -0.74 -5.01 117.16 114.90 2fs9 n TYR 241 Ca 0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.34 2fs9 n TYR 241 Cb 0.30 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.27 2fs9 n TYR 241 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2fs9 s VAL 242 N -2.00 4.87 0.83 -0.72 1.01 0.58 -5.05 120.40 119.93 2fs9 s VAL 242 Ca 0.00 0.47 -0.14 0.00 0.00 0.00 0.00 61.98 62.31 2fs9 s VAL 242 Cb 0.00 -4.11 0.05 0.00 0.00 0.00 0.00 36.38 32.32 2fs9 s VAL 242 CO 0.00 -0.39 0.87 -0.81 0.00 0.00 0.00 175.10 174.77 2fs9 n PRO 243 N 6.11 0.05 0.00 2.72 -0.04 -1.26 -4.37 135.00 138.21 2fs9 n PRO 243 Ca -0.01 0.08 0.08 0.00 -0.04 0.00 0.00 63.50 63.61 2fs9 n PRO 243 Cb 0.48 -2.16 0.49 0.00 -0.04 0.00 0.00 33.50 32.27 2fs9 n PRO 243 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09