#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fi8 s ILE 17 N 0.00 3.34 -0.55 1.39 1.01 0.16 -3.88 121.20 122.67 1fi8 s ILE 17 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.05 1fi8 s ILE 17 Cb 0.00 -2.36 0.00 0.00 0.01 0.00 0.00 42.46 40.11 1fi8 s ILE 17 CO 0.00 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.12 1fi8 n GLY 18 N 2.63 0.70 0.00 6.18 0.00 -1.24 -1.70 105.19 111.75 1fi8 n GLY 18 Ca -0.18 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1fi8 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fi8 n GLY 19 N -1.16 1.62 3.31 -0.02 0.00 -1.26 -4.88 105.19 102.79 1fi8 n GLY 19 Ca -0.05 -1.86 -0.12 0.00 0.00 0.00 0.00 46.02 43.99 1fi8 n GLY 19 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1fi8 s HIS 20 N 2.17 -0.21 0.19 1.61 -3.43 -0.66 -4.97 115.29 109.99 1fi8 s HIS 20 Ca 0.00 0.04 -0.32 0.00 -0.80 0.00 0.00 55.06 53.98 1fi8 s HIS 20 Cb 0.00 0.21 -0.11 0.00 -1.43 0.00 0.00 32.58 31.24 1fi8 s HIS 20 CO 0.00 -0.61 1.72 -2.00 -2.00 0.00 0.00 174.74 171.85 1fi8 s GLU 21 N -3.04 4.14 0.64 -0.38 2.12 -1.26 -1.58 118.70 119.34 1fi8 s GLU 21 Ca -0.02 2.58 -0.13 0.00 0.36 0.00 0.00 54.97 57.76 1fi8 s GLU 21 Cb 0.00 -3.15 -0.02 0.00 0.26 0.00 0.00 34.13 31.23 1fi8 s GLU 21 CO -0.06 -0.75 1.05 0.00 -0.54 0.00 0.00 175.26 174.96 1fi8 s ALA 22 N 1.38 2.73 0.02 6.30 0.00 -0.60 -4.85 121.76 126.74 1fi8 s ALA 22 Ca 0.75 0.22 -0.30 0.00 0.00 0.00 0.00 51.96 52.62 1fi8 s ALA 22 Cb -0.49 -3.19 -0.06 0.00 0.00 0.00 0.00 23.12 19.38 1fi8 s ALA 22 CO 0.32 -0.99 1.34 0.21 0.00 0.00 0.00 175.76 176.64 1fi8 s LYS 23 N -4.59 4.32 -0.12 0.00 2.20 -1.26 -4.89 119.74 115.40 1fi8 s LYS 23 Ca 0.60 1.91 -0.41 0.00 -0.36 0.00 0.00 55.97 57.71 1fi8 s LYS 23 Cb -0.15 -3.48 -0.19 0.00 -1.51 0.00 0.00 37.83 32.51 1fi8 s LYS 23 CO 0.46 -0.48 1.34 -2.30 -0.36 0.00 0.00 175.35 174.01 1fi8 n PRO 24 N 4.88 0.43 -1.08 4.03 -0.02 -1.26 -1.12 135.00 140.86 1fi8 n PRO 24 Ca 0.12 0.16 -0.03 0.00 -2.02 0.00 0.00 63.50 61.73 1fi8 n PRO 24 Cb 0.44 -1.71 -0.01 0.00 -0.02 0.00 0.00 33.50 32.20 1fi8 n PRO 24 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1fi8 n HIS 25 N 2.79 0.00 0.36 6.00 8.25 -1.26 -4.83 115.22 126.53 1fi8 n HIS 25 Ca 0.23 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.78 1fi8 n HIS 25 Cb 0.08 -1.99 0.40 0.00 1.12 0.00 0.00 29.99 29.61 1fi8 n HIS 25 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1fi8 n SER 26 N -0.92 0.39 -3.19 0.41 3.41 -0.28 -3.20 113.62 110.24 1fi8 n SER 26 Ca -0.03 0.61 -0.22 0.00 -0.26 0.00 0.00 58.87 58.97 1fi8 n SER 26 Cb 0.47 -0.69 -0.05 0.00 -0.26 0.00 0.00 64.21 63.68 1fi8 n SER 26 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1fi8 n ARG 27 N -1.94 1.35 0.01 4.33 1.74 -1.26 -4.98 116.66 115.91 1fi8 n ARG 27 Ca 0.02 -3.66 0.00 0.00 -0.77 0.00 0.00 57.85 53.44 1fi8 n ARG 27 Cb 0.17 -1.66 0.03 0.00 -1.02 0.00 0.00 32.46 29.97 1fi8 n ARG 27 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1fi8 n PRO 28 N 0.70 0.01 0.08 5.56 -0.04 -1.20 -1.34 135.00 138.77 1fi8 n PRO 28 Ca 0.25 0.31 0.12 0.00 -0.04 0.00 0.00 63.50 64.14 1fi8 n PRO 28 Cb 0.55 -1.74 0.25 0.00 -0.04 0.00 0.00 33.50 32.53 1fi8 n PRO 28 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1fi8 n TYR 29 N -1.35 0.68 -1.74 0.54 0.18 -1.11 -2.44 117.16 111.93 1fi8 n TYR 29 Ca -0.00 0.20 -0.42 0.00 1.88 0.00 0.00 57.90 59.56 1fi8 n TYR 29 Cb 0.22 -0.75 -0.02 0.00 -0.38 0.00 0.00 39.34 38.40 1fi8 n TYR 29 CO 0.00 0.00 0.00 -1.64 -2.08 0.00 0.00 176.86 173.14 1fi8 s MET 30 N -3.14 4.11 0.03 -3.48 -1.94 -0.45 -0.78 119.30 113.66 1fi8 s MET 30 Ca 0.08 2.61 0.09 0.00 -1.71 0.00 0.00 55.69 56.76 1fi8 s MET 30 Cb 0.13 -3.04 -0.03 0.00 2.01 0.00 0.00 34.83 33.91 1fi8 s MET 30 CO 0.68 -0.70 -0.25 0.00 -0.01 0.00 0.00 175.02 174.74 1fi8 s ALA 31 N 0.49 2.11 -0.27 3.03 0.00 -0.17 -4.13 121.76 122.81 1fi8 s ALA 31 Ca 0.68 -1.19 -0.03 0.00 0.00 0.00 0.00 51.96 51.42 1fi8 s ALA 31 Cb -0.49 -0.45 0.03 0.00 0.00 0.00 0.00 23.12 22.20 1fi8 s ALA 31 CO 0.42 0.50 -0.00 -0.47 0.00 0.00 0.00 175.76 176.20 1fi8 s TYR 32 N -0.77 3.13 -0.12 0.00 6.14 -0.87 -1.84 117.35 123.02 1fi8 s TYR 32 Ca 0.10 -1.44 -0.05 0.00 0.64 0.00 0.00 57.07 56.33 1fi8 s TYR 32 Cb -0.10 -2.13 -0.04 0.00 0.42 0.00 0.00 41.96 40.12 1fi8 s TYR 32 CO 0.02 -0.70 0.04 -0.51 0.64 0.00 0.00 175.55 175.04 1fi8 s LEU 33 N 1.36 3.79 -0.20 6.97 1.43 -0.04 -1.07 118.68 130.92 1fi8 s LEU 33 Ca -0.00 0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 53.25 1fi8 s LEU 33 Cb -0.17 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.14 1fi8 s LEU 33 CO -0.02 0.31 -0.10 -1.10 0.23 0.00 0.00 176.35 175.68 1fi8 s GLN 34 N -0.48 3.25 -0.03 1.70 -0.21 -0.24 -1.53 119.66 122.12 1fi8 s GLN 34 Ca 0.10 -0.70 0.05 0.00 0.02 0.00 0.00 55.36 54.83 1fi8 s GLN 34 Cb -0.12 -2.83 -0.03 0.00 1.00 0.00 0.00 33.01 31.03 1fi8 s GLN 34 CO 0.02 -0.16 -0.16 0.42 -2.12 0.00 0.00 175.29 173.29 1fi8 s ILE 35 N 1.31 2.95 0.15 1.08 1.09 0.39 -0.98 121.20 127.19 1fi8 s ILE 35 Ca 0.04 -0.85 0.10 0.00 -1.10 0.00 0.00 60.65 58.84 1fi8 s ILE 35 Cb -0.14 -2.17 -0.04 0.00 -1.06 0.00 0.00 42.46 39.05 1fi8 s ILE 35 CO -0.05 0.53 -0.20 -0.04 -0.10 0.00 0.00 174.94 175.08 1fi8 s MET 36 N -0.89 1.68 -0.28 2.79 -1.94 -0.19 -1.88 119.30 118.60 1fi8 s MET 36 Ca 0.12 -1.32 0.01 0.00 -1.71 0.00 0.00 55.69 52.79 1fi8 s MET 36 Cb -0.11 -2.01 0.16 0.00 2.01 0.00 0.00 34.83 34.89 1fi8 s MET 36 CO 0.02 0.45 0.46 -0.51 -0.01 0.00 0.00 175.02 175.42 1fi8 s ASP 36 N -2.37 -0.28 0.10 3.03 -0.00 -1.25 -1.55 116.67 114.35 1fi8 s ASP 36 Ca 0.19 0.10 0.06 0.00 -0.00 0.00 0.00 52.55 52.90 1fi8 s ASP 36 Cb -0.09 1.44 0.37 0.00 -0.00 0.00 0.00 42.92 44.63 1fi8 s ASP 36 CO 0.10 -0.31 0.43 1.21 -0.00 0.00 0.00 175.17 176.60 1fi8 n GLU 36 N 5.38 -0.02 0.12 8.23 2.13 -1.26 0.91 120.64 136.14 1fi8 n GLU 36 Ca -0.00 0.37 -0.20 0.00 0.66 0.00 0.00 57.16 58.00 1fi8 n GLU 36 Cb 0.51 -0.67 -0.15 0.00 0.27 0.00 0.00 31.44 31.39 1fi8 n GLU 36 CO 0.00 0.00 0.00 1.88 -0.41 0.00 0.00 177.13 178.60 1fi8 h TYR 37 N 0.00 0.70 0.00 4.31 0.99 -2.04 -3.52 116.97 117.41 1fi8 h TYR 37 Ca 0.23 -0.51 0.00 0.00 2.00 0.00 0.00 58.73 60.45 1fi8 h TYR 37 Cb 0.61 -0.03 0.00 0.00 1.00 0.00 0.00 36.73 38.31 1fi8 h TYR 37 CO -0.00 1.40 0.00 0.45 -0.00 0.00 0.00 178.16 180.01 1fi8 n SER 37 N -3.61 0.00 -3.71 3.88 2.88 5.57 -5.19 113.62 113.45 1fi8 n SER 37 Ca -0.12 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.01 1fi8 n SER 37 Cb 1.06 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.53 1fi8 n SER 37 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1fi8 n SER 39 N 0.00 7.18 -4.83 -3.46 7.64 -1.25 -3.86 113.62 115.04 1fi8 n SER 39 Ca 0.00 -3.56 -0.30 0.00 1.01 0.00 0.00 58.87 56.01 1fi8 n SER 39 Cb 0.00 -1.22 0.06 0.00 -1.01 0.00 0.00 64.21 62.04 1fi8 n SER 39 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1fi8 s LYS 40 N -3.57 2.64 0.03 1.43 1.02 -0.79 -4.80 119.74 115.71 1fi8 s LYS 40 Ca 0.39 0.70 0.04 0.00 0.02 0.00 0.00 55.97 57.12 1fi8 s LYS 40 Cb 0.16 -1.98 -0.02 0.00 -0.52 0.00 0.00 37.83 35.47 1fi8 s LYS 40 CO -0.07 -1.25 -0.13 -1.59 -0.92 0.00 0.00 175.35 171.39 1fi8 s LYS 41 N -5.17 0.91 0.29 1.68 -2.85 -1.26 -0.46 119.74 112.88 1fi8 s LYS 41 Ca 0.59 -0.68 -0.03 0.00 -1.00 0.00 0.00 55.97 54.85 1fi8 s LYS 41 Cb -0.13 -0.89 -0.01 0.00 -2.06 0.00 0.00 37.83 34.73 1fi8 s LYS 41 CO 0.54 0.22 0.37 0.00 0.10 0.00 0.00 175.35 176.58 1fi8 s GLY 43 N -3.20 2.26 -0.09 0.00 0.00 0.28 -0.86 107.32 105.71 1fi8 s GLY 43 Ca 0.32 -1.43 -0.27 0.00 0.00 0.00 0.00 44.72 43.34 1fi8 s GLY 43 CO 0.17 -1.89 1.18 0.61 0.00 0.00 0.00 173.10 173.17 1fi8 n GLY 44 N -1.83 0.12 3.26 0.20 0.00 -0.77 -3.55 105.19 102.62 1fi8 n GLY 44 Ca 0.01 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 1fi8 n GLY 44 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1fi8 s PHE 45 N -2.00 -0.25 -0.17 1.61 -0.71 -0.18 -1.00 117.98 115.28 1fi8 s PHE 45 Ca 0.28 0.46 -0.27 0.00 -1.04 0.00 0.00 56.93 56.36 1fi8 s PHE 45 Cb -0.00 0.12 -0.01 0.00 -1.21 0.00 0.00 43.02 41.92 1fi8 s PHE 45 CO -0.03 -0.36 0.92 -1.17 -1.34 0.00 0.00 175.22 173.25 1fi8 s LEU 46 N -1.00 4.17 0.00 -1.99 2.96 0.04 -0.25 118.68 122.61 1fi8 s LEU 46 Ca -0.11 1.30 0.10 0.00 -0.22 0.00 0.00 54.13 55.21 1fi8 s LEU 46 Cb -0.04 -3.39 -0.04 0.00 0.50 0.00 0.00 46.19 43.22 1fi8 s LEU 46 CO 0.04 -0.48 0.56 2.30 -1.32 0.00 0.00 176.35 177.45 1fi8 n ILE 47 N 4.86 0.00 -3.61 6.68 -5.35 -0.79 0.24 119.36 121.38 1fi8 n ILE 47 Ca 0.07 -0.35 -0.09 0.00 -0.27 0.00 0.00 62.75 62.12 1fi8 n ILE 47 Cb 0.48 1.08 -0.06 0.00 -1.74 0.00 0.00 39.64 39.40 1fi8 n ILE 47 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1fi8 s ARG 48 N -1.58 0.48 0.52 6.28 3.52 -1.18 -4.62 118.95 122.38 1fi8 s ARG 48 Ca 0.07 0.34 0.41 0.00 -0.13 0.00 0.00 55.73 56.42 1fi8 s ARG 48 Cb 0.08 0.23 1.41 0.00 -1.56 0.00 0.00 34.95 35.12 1fi8 s ARG 48 CO 0.31 -0.11 1.37 -0.85 -0.81 0.00 0.00 175.30 175.21 1fi8 n GLU 49 N 1.46 0.00 -0.03 5.12 0.28 -1.26 -0.08 120.64 126.14 1fi8 n GLU 49 Ca -0.11 0.97 0.01 0.00 -0.16 0.00 0.00 57.16 57.88 1fi8 n GLU 49 Cb 0.57 -2.29 0.03 0.00 1.43 0.00 0.00 31.44 31.18 1fi8 n GLU 49 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1fi8 n ASP 50 N -3.59 2.15 -3.84 -1.84 5.75 -1.26 -0.78 116.55 113.13 1fi8 n ASP 50 Ca 0.36 -2.07 -0.17 0.00 -0.01 0.00 0.00 54.79 52.90 1fi8 n ASP 50 Cb 1.75 -0.06 -0.16 0.00 -1.03 0.00 0.00 41.12 41.62 1fi8 n ASP 50 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1fi8 s PHE 51 N -1.13 0.38 -0.12 2.11 0.08 0.89 -1.49 117.98 118.69 1fi8 s PHE 51 Ca 0.05 -0.04 0.00 0.00 0.12 0.00 0.00 56.93 57.07 1fi8 s PHE 51 Cb 0.03 -0.43 -0.01 0.00 -0.57 0.00 0.00 43.02 42.04 1fi8 s PHE 51 CO 0.02 -0.13 -0.14 0.08 -0.10 0.00 0.00 175.22 174.95 1fi8 s VAL 52 N 0.91 2.94 -0.16 -0.44 1.01 0.19 -1.89 120.40 122.96 1fi8 s VAL 52 Ca -0.10 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.09 1fi8 s VAL 52 Cb -0.13 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 1fi8 s VAL 52 CO -0.01 0.53 0.15 -0.22 0.00 0.00 0.00 175.10 175.55 1fi8 s LEU 53 N 0.32 4.30 0.00 3.92 2.96 0.65 -0.24 118.68 130.59 1fi8 s LEU 53 Ca -0.11 0.36 0.00 0.00 -0.22 0.00 0.00 54.13 54.16 1fi8 s LEU 53 Cb -0.16 -2.11 0.00 0.00 0.50 0.00 0.00 46.19 44.42 1fi8 s LEU 53 CO 0.06 0.28 0.00 1.07 -1.32 0.00 0.00 176.35 176.44 1fi8 n THR 54 N 2.81 0.00 -3.30 3.68 5.66 -0.14 -1.01 114.28 121.98 1fi8 n THR 54 Ca -0.18 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.45 1fi8 n THR 54 Cb 0.53 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.25 1fi8 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1fi8 s ALA 55 N -1.52 3.58 0.44 1.79 0.00 -1.26 -0.54 121.76 124.25 1fi8 s ALA 55 Ca 0.00 -0.02 0.12 0.00 0.00 0.00 0.00 51.96 52.06 1fi8 s ALA 55 Cb 0.00 -2.60 0.96 0.00 0.00 0.00 0.00 23.12 21.48 1fi8 s ALA 55 CO 0.00 0.42 2.02 0.00 0.00 0.00 0.00 175.76 178.19 1fi8 h ALA 56 N 4.23 1.71 0.00 0.00 0.00 -1.71 -2.19 119.26 121.30 1fi8 h ALA 56 Ca -0.49 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1fi8 h ALA 56 Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1fi8 h ALA 56 CO 0.64 0.22 0.00 -2.39 0.00 0.00 0.00 179.25 177.72 1fi8 n HIS 57 N -4.39 0.00 1.17 0.00 1.44 -1.26 -2.08 115.22 110.10 1fi8 n HIS 57 Ca -0.01 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.80 1fi8 n HIS 57 Cb 0.18 -0.12 0.33 0.00 0.12 0.00 0.00 29.99 30.50 1fi8 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1fi8 s SER 59 N -1.46 3.43 0.06 0.00 0.15 -0.88 -4.89 113.70 110.11 1fi8 s SER 59 Ca 0.30 1.78 -0.27 0.00 0.70 0.00 0.00 55.95 58.46 1fi8 s SER 59 Cb 0.16 -2.40 0.09 0.00 -1.71 0.00 0.00 66.02 62.17 1fi8 s SER 59 CO 0.24 -2.71 1.18 -0.83 1.20 0.00 0.00 173.24 172.32 1fi8 s GLY 60 N -3.14 -0.15 0.56 9.45 0.00 -1.26 -4.97 107.32 107.81 1fi8 s GLY 60 Ca 0.64 0.12 0.30 0.00 0.00 0.00 0.00 44.72 45.79 1fi8 s GLY 60 CO 0.58 2.56 2.15 1.48 0.00 0.00 0.00 173.10 179.86 1fi8 h SER 61 N 2.00 0.00 -3.71 1.64 4.64 -1.67 -3.43 113.55 113.02 1fi8 h SER 61 Ca -0.26 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.00 1fi8 h SER 61 Cb 1.20 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.07 1fi8 h SER 61 CO 0.31 0.07 -0.01 -0.75 -0.87 0.00 0.00 176.83 175.58 1fi8 s LYS 64 N -4.26 0.69 0.03 4.77 2.20 -1.15 -5.02 119.74 117.00 1fi8 s LYS 64 Ca -0.03 0.92 0.04 0.00 -0.36 0.00 0.00 55.97 56.54 1fi8 s LYS 64 Cb 0.13 0.28 -0.02 0.00 -1.51 0.00 0.00 37.83 36.71 1fi8 s LYS 64 CO 0.55 -0.10 -0.12 0.42 -0.36 0.00 0.00 175.35 175.74 1fi8 s ILE 65 N 0.67 0.94 -0.01 5.43 1.01 -1.26 -1.02 121.20 126.96 1fi8 s ILE 65 Ca -0.03 -0.92 0.04 0.00 0.00 0.00 0.00 60.65 59.74 1fi8 s ILE 65 Cb -0.05 -0.87 -0.01 0.00 0.01 0.00 0.00 42.46 41.55 1fi8 s ILE 65 CO -0.04 -0.04 -0.13 -1.58 0.00 0.00 0.00 174.94 173.14 1fi8 s GLN 66 N -1.09 1.14 -0.08 2.79 0.74 -0.15 -2.46 119.66 120.55 1fi8 s GLN 66 Ca -0.00 -0.47 0.02 0.00 0.05 0.00 0.00 55.36 54.96 1fi8 s GLN 66 Cb -0.07 -1.08 -0.02 0.00 1.10 0.00 0.00 33.01 32.93 1fi8 s GLN 66 CO 0.01 0.27 -0.15 0.08 -0.55 0.00 0.00 175.29 174.95 1fi8 s VAL 67 N -0.23 2.93 -0.24 1.34 1.01 -0.41 -1.08 120.40 123.71 1fi8 s VAL 67 Ca 0.04 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1fi8 s VAL 67 Cb -0.06 -2.17 0.05 0.00 0.00 0.00 0.00 36.38 34.20 1fi8 s VAL 67 CO -0.00 0.56 -0.13 -0.89 0.00 0.00 0.00 175.10 174.64 1fi8 s THR 67 N -0.23 2.18 0.39 3.92 2.01 -0.23 -0.15 115.64 123.53 1fi8 s THR 67 Ca 0.01 -1.45 0.08 0.00 0.31 0.00 0.00 61.69 60.63 1fi8 s THR 67 Cb -0.13 -2.19 -0.00 0.00 0.01 0.00 0.00 72.50 70.19 1fi8 s THR 67 CO 0.03 0.11 0.50 -0.76 -0.69 0.00 0.00 174.62 173.81 1fi8 s LEU 68 N 1.16 3.71 -1.10 4.42 1.43 0.87 -2.06 118.68 127.11 1fi8 s LEU 68 Ca -0.05 -0.40 -0.17 0.00 -1.03 0.00 0.00 54.13 52.48 1fi8 s LEU 68 Cb -0.18 -2.58 -0.02 0.00 0.03 0.00 0.00 46.19 43.44 1fi8 s LEU 68 CO -0.07 -0.63 0.82 0.61 0.23 0.00 0.00 176.35 177.31 1fi8 n GLY 69 N -1.72 -1.05 3.27 -3.19 0.00 -1.25 -1.32 105.19 99.92 1fi8 n GLY 69 Ca 0.05 0.49 -0.14 0.00 0.00 0.00 0.00 46.02 46.41 1fi8 n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fi8 s ALA 70 N -3.42 1.48 0.19 4.61 0.00 -1.26 -2.80 121.76 120.55 1fi8 s ALA 70 Ca 0.45 -1.70 0.00 0.00 0.00 0.00 0.00 51.96 50.71 1fi8 s ALA 70 Cb -0.14 0.77 0.00 0.00 0.00 0.00 0.00 23.12 23.75 1fi8 s ALA 70 CO 0.83 -0.38 0.00 1.58 0.00 0.00 0.00 175.76 177.79 1fi8 n HIS 71 N -0.32 -1.48 -3.46 0.00 -0.00 -1.26 -4.61 115.22 104.09 1fi8 n HIS 71 Ca -0.04 0.26 -0.43 0.00 0.46 0.00 0.00 57.72 57.97 1fi8 n HIS 71 Cb 0.64 0.41 -0.06 0.00 -0.12 0.00 0.00 29.99 30.86 1fi8 n HIS 71 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1fi8 s ASN 72 N -5.24 6.08 0.63 0.26 3.84 -1.26 -1.08 114.94 118.18 1fi8 s ASN 72 Ca 0.00 -2.32 0.34 0.00 0.21 0.00 0.00 52.86 51.09 1fi8 s ASN 72 Cb 0.00 -2.09 1.89 0.00 -0.55 0.00 0.00 41.25 40.50 1fi8 s ASN 72 CO 0.00 -0.63 2.14 -0.29 -2.79 0.00 0.00 177.10 175.53 1fi8 h ILE 73 N 5.47 0.21 0.00 -5.21 6.09 -1.64 -1.93 117.51 120.50 1fi8 h ILE 73 Ca -0.09 0.00 -0.04 0.00 -1.37 0.00 0.00 64.86 63.36 1fi8 h ILE 73 Cb 1.05 0.84 -0.01 0.00 0.47 0.00 0.00 36.82 39.17 1fi8 h ILE 73 CO 0.83 0.00 -0.26 0.11 -3.07 0.00 0.00 178.15 175.77 1fi8 h LYS 74 N 0.00 0.00 -6.45 2.19 6.56 -1.92 -3.46 116.57 113.49 1fi8 h LYS 74 Ca 0.04 0.00 -0.46 0.00 -1.06 0.00 0.00 60.65 59.17 1fi8 h LYS 74 Cb 0.38 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.05 1fi8 h LYS 74 CO -0.00 0.20 -0.25 -1.21 -2.06 0.00 0.00 179.45 176.13 1fi8 s GLU 75 N -3.11 3.24 -1.30 3.15 2.02 -0.73 -5.01 118.70 116.97 1fi8 s GLU 75 Ca 0.05 -0.66 -0.12 0.00 0.02 0.00 0.00 54.97 54.26 1fi8 s GLU 75 Cb 0.06 -2.72 0.13 0.00 0.10 0.00 0.00 34.13 31.70 1fi8 s GLU 75 CO 0.71 0.05 1.80 0.94 0.02 0.00 0.00 175.26 178.78 1fi8 n GLN 76 N -1.76 3.37 -2.45 1.61 7.27 -1.26 -4.94 117.38 119.22 1fi8 n GLN 76 Ca -0.02 -3.42 -0.42 0.00 0.07 0.00 0.00 57.00 53.21 1fi8 n GLN 76 Cb 0.57 -3.09 -0.03 0.00 2.41 0.00 0.00 30.24 30.10 1fi8 n GLN 76 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1fi8 s GLU 77 N 1.66 4.49 0.26 3.69 2.02 -1.26 -4.95 118.70 124.62 1fi8 s GLU 77 Ca 0.44 1.76 -0.04 0.00 0.02 0.00 0.00 54.97 57.15 1fi8 s GLU 77 Cb 0.06 -3.31 0.35 0.00 0.10 0.00 0.00 34.13 31.33 1fi8 s GLU 77 CO -0.00 -0.13 1.92 1.57 0.02 0.00 0.00 175.26 178.64 1fi8 h LYS 78 N 6.05 1.22 0.00 1.61 2.10 -1.94 -2.30 116.57 123.31 1fi8 h LYS 78 Ca -0.43 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1fi8 h LYS 78 Cb 1.21 -0.27 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 1fi8 h LYS 78 CO 0.77 0.81 0.00 -1.33 -2.00 0.00 0.00 179.45 177.70 1fi8 n MET 79 N -4.43 0.03 -2.23 0.07 2.81 -1.26 -4.82 117.12 107.29 1fi8 n MET 79 Ca 0.13 0.33 -0.40 0.00 -1.81 0.00 0.00 57.70 55.95 1fi8 n MET 79 Cb 0.09 -1.57 -0.02 0.00 -0.71 0.00 0.00 33.22 31.00 1fi8 n MET 79 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1fi8 s GLN 80 N -3.06 4.27 -0.20 0.03 -0.21 -0.87 -4.55 119.66 115.06 1fi8 s GLN 80 Ca 0.05 2.02 -0.00 0.00 0.02 0.00 0.00 55.36 57.45 1fi8 s GLN 80 Cb 0.08 -2.94 0.05 0.00 1.00 0.00 0.00 33.01 31.20 1fi8 s GLN 80 CO 0.24 -0.19 -0.04 -0.65 -2.12 0.00 0.00 175.29 172.52 1fi8 s GLN 81 N -1.94 1.46 -0.37 2.91 -0.21 -0.44 -4.97 119.66 116.11 1fi8 s GLN 81 Ca 0.51 -0.75 -0.18 0.00 0.02 0.00 0.00 55.36 54.96 1fi8 s GLN 81 Cb -0.35 -2.33 0.00 0.00 1.00 0.00 0.00 33.01 31.33 1fi8 s GLN 81 CO 0.46 -0.54 0.52 0.42 -2.12 0.00 0.00 175.29 174.03 1fi8 s ILE 82 N 1.54 5.00 -0.10 1.08 -1.09 -1.26 -0.09 121.20 126.27 1fi8 s ILE 82 Ca -0.03 0.20 0.01 0.00 -2.23 0.00 0.00 60.65 58.61 1fi8 s ILE 82 Cb -0.17 -4.01 0.02 0.00 -1.58 0.00 0.00 42.46 36.71 1fi8 s ILE 82 CO -0.07 -0.30 -0.13 -0.63 -1.23 0.00 0.00 174.94 172.58 1fi8 s ILE 83 N 2.42 1.30 0.58 2.92 1.01 0.79 -5.00 121.20 125.22 1fi8 s ILE 83 Ca 0.18 -0.52 -0.16 0.00 0.00 0.00 0.00 60.65 60.15 1fi8 s ILE 83 Cb -0.15 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 1fi8 s ILE 83 CO 0.14 0.40 1.05 -2.84 0.00 0.00 0.00 174.94 173.69 1fi8 s PRO 84 N 1.09 3.42 -0.06 2.79 0.02 -1.26 -1.29 135.00 139.72 1fi8 s PRO 84 Ca -0.05 1.20 -0.18 0.00 0.02 0.00 0.00 61.00 61.99 1fi8 s PRO 84 Cb -0.14 -2.05 -0.05 0.00 0.02 0.00 0.00 34.50 32.28 1fi8 s PRO 84 CO -0.02 -0.73 0.49 0.08 -0.33 0.00 0.00 177.00 176.49 1fi8 s VAL 85 N -2.42 5.08 -0.16 3.83 1.01 -1.03 0.02 120.40 126.73 1fi8 s VAL 85 Ca 0.64 1.00 0.17 0.00 0.00 0.00 0.00 61.98 63.78 1fi8 s VAL 85 Cb -0.16 -3.82 -0.24 0.00 0.00 0.00 0.00 36.38 32.16 1fi8 s VAL 85 CO 0.35 0.41 0.12 0.55 0.00 0.00 0.00 175.10 176.52 1fi8 n VAL 86 N 3.02 1.08 -3.73 2.92 3.14 0.08 -4.79 118.33 120.05 1fi8 n VAL 86 Ca -0.09 -0.74 -0.21 0.00 -2.96 0.00 0.00 64.34 60.34 1fi8 n VAL 86 Cb 0.52 -0.42 -0.18 0.00 -1.06 0.00 0.00 33.84 32.69 1fi8 n VAL 86 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1fi8 s LYS 87 N -2.59 0.28 -0.29 1.45 3.01 -1.18 -5.01 119.74 115.41 1fi8 s LYS 87 Ca -0.09 0.24 -0.12 0.00 -1.01 0.00 0.00 55.97 54.98 1fi8 s LYS 87 Cb 0.07 -0.74 -0.04 0.00 -1.01 0.00 0.00 37.83 36.10 1fi8 s LYS 87 CO 0.77 -0.31 0.24 0.42 0.51 0.00 0.00 175.35 176.98 1fi8 s ILE 88 N 2.04 5.27 -0.48 2.17 1.01 -1.26 -1.60 121.20 128.36 1fi8 s ILE 88 Ca 0.05 0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.91 1fi8 s ILE 88 Cb -0.12 -3.61 0.13 0.00 0.01 0.00 0.00 42.46 38.88 1fi8 s ILE 88 CO -0.04 0.17 0.26 -0.63 0.00 0.00 0.00 174.94 174.70 1fi8 s ILE 89 N 1.83 1.85 0.56 2.92 1.01 -0.28 -5.03 121.20 124.06 1fi8 s ILE 89 Ca 0.09 -2.88 -0.14 0.00 0.00 0.00 0.00 60.65 57.72 1fi8 s ILE 89 Cb -0.16 -2.29 -0.06 0.00 0.01 0.00 0.00 42.46 39.96 1fi8 s ILE 89 CO 0.11 -0.87 1.00 -2.16 0.00 0.00 0.00 174.94 173.02 1fi8 s PRO 90 N 0.06 3.79 0.18 2.79 0.04 -1.26 -1.41 135.00 139.18 1fi8 s PRO 90 Ca 0.18 0.85 -0.31 0.00 0.04 0.00 0.00 61.00 61.75 1fi8 s PRO 90 Cb -0.24 -2.12 -0.10 0.00 0.04 0.00 0.00 34.50 32.08 1fi8 s PRO 90 CO -0.01 -0.40 1.54 -1.58 0.04 0.00 0.00 177.00 176.59 1fi8 s HIS 91 N -2.86 3.06 0.63 0.56 2.46 -0.90 -4.88 115.29 113.36 1fi8 s HIS 91 Ca 0.57 0.72 0.34 0.00 0.47 0.00 0.00 55.06 57.15 1fi8 s HIS 91 Cb -0.10 -3.89 1.87 0.00 -0.13 0.00 0.00 32.58 30.32 1fi8 s HIS 91 CO 0.41 -3.23 2.13 -1.00 -2.47 0.00 0.00 174.74 170.59 1fi8 h PRO 92 N 6.49 0.00 -0.41 2.88 0.13 -1.93 0.05 132.00 139.20 1fi8 h PRO 92 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1fi8 h PRO 92 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1fi8 h PRO 92 CO 0.89 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.66 1fi8 n ALA 93 N -2.14 2.44 -1.70 -0.56 0.00 -1.26 -4.95 120.51 112.33 1fi8 n ALA 93 Ca -0.01 -0.83 -0.44 0.00 0.00 0.00 0.00 53.44 52.17 1fi8 n ALA 93 Cb 0.27 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 1fi8 n ALA 93 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1fi8 n TYR 94 N 0.94 2.47 -3.85 0.00 9.36 -0.00 -4.70 117.16 121.38 1fi8 n TYR 94 Ca 0.17 0.31 -0.30 0.00 3.32 0.00 0.00 57.90 61.40 1fi8 n TYR 94 Cb 0.44 -2.54 -0.14 0.00 -0.63 0.00 0.00 39.34 36.47 1fi8 n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1fi8 s ASN 95 N 0.55 4.16 0.49 2.98 3.04 -0.78 -4.99 114.94 120.39 1fi8 s ASN 95 Ca 0.69 -2.45 0.22 0.00 0.04 0.00 0.00 52.86 51.36 1fi8 s ASN 95 Cb -0.59 -1.31 1.26 0.00 -1.54 0.00 0.00 41.25 39.07 1fi8 s ASN 95 CO 0.46 -0.31 1.95 0.77 -3.04 0.00 0.00 177.10 176.93 1fi8 h SER 96 N 7.11 0.16 -0.34 -4.21 4.64 -1.93 0.58 113.55 119.56 1fi8 h SER 96 Ca -0.06 0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.20 1fi8 h SER 96 Cb 0.95 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.01 1fi8 h SER 96 CO 0.55 0.08 -0.08 0.11 -0.87 0.00 0.00 176.83 176.62 1fi8 h LYS 97 N 0.17 0.66 -0.01 4.77 6.56 -1.97 -3.25 116.57 123.50 1fi8 h LYS 97 Ca 0.33 -0.25 0.00 0.00 -1.06 0.00 0.00 60.65 59.66 1fi8 h LYS 97 Cb 1.04 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.66 1fi8 h LYS 97 CO -0.05 0.83 -0.59 0.25 -2.06 0.00 0.00 179.45 177.82 1fi8 n THR 98 N -4.42 0.00 -3.41 -0.16 -2.24 -0.81 -4.98 114.28 98.26 1fi8 n THR 98 Ca -0.02 -0.20 -0.23 0.00 -2.27 0.00 0.00 64.05 61.33 1fi8 n THR 98 Cb 0.34 1.20 0.07 0.00 -2.10 0.00 0.00 70.33 69.83 1fi8 n THR 98 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1fi8 n ILE 99 N -0.35 -2.65 -3.93 2.28 5.41 0.20 -4.96 119.36 115.37 1fi8 n ILE 99 Ca 0.08 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.55 1fi8 n ILE 99 Cb 0.44 -3.78 -0.03 0.00 -0.71 0.00 0.00 39.64 35.55 1fi8 n ILE 99 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1fi8 s SER 100 N -3.16 6.35 -1.38 4.38 1.04 -1.10 -4.39 113.70 115.45 1fi8 s SER 100 Ca 0.50 0.22 -0.06 0.00 0.48 0.00 0.00 55.95 57.08 1fi8 s SER 100 Cb -0.22 -1.93 0.03 0.00 0.10 0.00 0.00 66.02 64.00 1fi8 s SER 100 CO 0.61 0.10 0.90 0.59 0.98 0.00 0.00 173.24 176.42 1fi8 n ASN 101 N -0.19 -3.23 -3.89 7.02 3.02 -1.26 -1.87 115.26 114.85 1fi8 n ASN 101 Ca -0.06 -0.75 -0.42 0.00 -0.03 0.00 0.00 54.58 53.32 1fi8 n ASN 101 Cb 0.53 -4.24 0.00 0.00 -0.61 0.00 0.00 39.78 35.46 1fi8 n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1fi8 n ASP 102 N -2.98 4.34 -3.89 6.41 2.03 -1.26 -4.27 116.55 116.93 1fi8 n ASP 102 Ca -0.14 -2.92 -0.11 0.00 0.52 0.00 0.00 54.79 52.14 1fi8 n ASP 102 Cb 0.61 -1.62 -0.13 0.00 -0.72 0.00 0.00 41.12 39.25 1fi8 n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1fi8 s ILE 103 N 2.60 0.03 -0.06 5.18 2.07 -1.26 -3.60 121.20 126.16 1fi8 s ILE 103 Ca 0.46 -0.23 -0.19 0.00 -1.41 0.00 0.00 60.65 59.28 1fi8 s ILE 103 Cb 0.11 -0.11 0.04 0.00 0.13 0.00 0.00 42.46 42.63 1fi8 s ILE 103 CO -0.04 -0.13 0.43 -0.32 -1.91 0.00 0.00 174.94 172.96 1fi8 s MET 104 N -0.38 0.72 -0.01 3.50 -2.45 0.29 -2.13 119.30 118.85 1fi8 s MET 104 Ca -0.04 0.11 0.03 0.00 -1.25 0.00 0.00 55.69 54.54 1fi8 s MET 104 Cb -0.03 0.33 -0.03 0.00 1.25 0.00 0.00 34.83 36.35 1fi8 s MET 104 CO -0.00 -0.19 -0.07 -0.51 1.05 0.00 0.00 175.02 175.31 1fi8 s LEU 105 N -0.91 3.18 -0.14 4.11 1.43 -0.50 -0.96 118.68 124.88 1fi8 s LEU 105 Ca -0.10 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 1fi8 s LEU 105 Cb -0.04 -1.79 0.02 0.00 0.03 0.00 0.00 46.19 44.41 1fi8 s LEU 105 CO 0.05 0.30 -0.14 -0.76 0.23 0.00 0.00 176.35 176.03 1fi8 s LEU 106 N -1.29 1.64 -0.25 1.79 1.43 0.67 -1.13 118.68 121.54 1fi8 s LEU 106 Ca 0.16 -0.46 -0.21 0.00 -1.03 0.00 0.00 54.13 52.59 1fi8 s LEU 106 Cb -0.11 -1.14 -0.02 0.00 0.03 0.00 0.00 46.19 44.95 1fi8 s LEU 106 CO 0.06 -0.06 0.66 -0.75 0.23 0.00 0.00 176.35 176.50 1fi8 s LYS 107 N 1.46 4.12 0.37 1.70 2.47 -0.63 -0.64 119.74 128.60 1fi8 s LYS 107 Ca 0.04 0.61 -0.25 0.00 -1.56 0.00 0.00 55.97 54.80 1fi8 s LYS 107 Cb -0.13 -3.65 -0.09 0.00 -1.46 0.00 0.00 37.83 32.50 1fi8 s LYS 107 CO -0.10 -0.42 1.05 -0.51 0.16 0.00 0.00 175.35 175.53 1fi8 s LEU 108 N 2.54 4.24 0.63 5.43 1.43 -0.56 -0.74 118.68 131.65 1fi8 s LEU 108 Ca 0.27 2.07 0.42 0.00 -1.03 0.00 0.00 54.13 55.86 1fi8 s LEU 108 Cb -0.15 -4.06 2.20 0.00 0.03 0.00 0.00 46.19 44.21 1fi8 s LEU 108 CO 0.08 -0.39 2.28 0.50 0.23 0.00 0.00 176.35 179.05 1fi8 h LYS 109 N 2.82 0.00 -2.15 1.70 3.64 -0.72 -3.43 116.57 118.44 1fi8 h LYS 109 Ca -0.48 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.84 1fi8 h LYS 109 Cb 1.21 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 32.82 1fi8 h LYS 109 CO 0.63 0.00 0.07 -1.54 -2.27 0.00 0.00 179.45 176.35 1fi8 s SER 110 N -5.17 -0.67 0.24 4.20 1.04 -1.26 -5.01 113.70 107.07 1fi8 s SER 110 Ca -0.04 1.19 -0.31 0.00 0.48 0.00 0.00 55.95 57.27 1fi8 s SER 110 Cb 0.12 1.18 -0.14 0.00 0.10 0.00 0.00 66.02 67.28 1fi8 s SER 110 CO 0.42 -0.30 1.31 0.29 0.98 0.00 0.00 173.24 175.94 1fi8 n LYS 111 N 2.37 1.81 -2.68 4.02 5.02 -1.26 -4.89 118.16 122.55 1fi8 n LYS 111 Ca -0.15 0.64 -0.41 0.00 -2.02 0.00 0.00 58.31 56.38 1fi8 n LYS 111 Cb 0.56 -2.23 -0.05 0.00 -0.02 0.00 0.00 35.03 33.28 1fi8 n LYS 111 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fi8 s ALA 112 N -0.29 3.32 -0.09 7.82 0.00 0.04 -5.00 121.76 127.56 1fi8 s ALA 112 Ca 0.67 0.66 -0.30 0.00 0.00 0.00 0.00 51.96 53.00 1fi8 s ALA 112 Cb -0.68 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.15 1fi8 s ALA 112 CO 0.52 0.03 1.07 0.15 0.00 0.00 0.00 175.76 177.54 1fi8 s LYS 113 N -0.70 4.40 0.24 0.00 -0.14 -1.26 -4.87 119.74 117.41 1fi8 s LYS 113 Ca 0.45 1.49 -0.30 0.00 -1.36 0.00 0.00 55.97 56.25 1fi8 s LYS 113 Cb -0.26 -3.55 -0.09 0.00 -1.68 0.00 0.00 37.83 32.25 1fi8 s LYS 113 CO 0.33 -0.36 1.29 1.03 -0.76 0.00 0.00 175.35 176.87 1fi8 s ARG 114 N 2.08 4.41 0.13 1.68 0.52 -1.26 -4.80 118.95 121.71 1fi8 s ARG 114 Ca 0.51 2.06 -0.03 0.00 -0.52 0.00 0.00 55.73 57.76 1fi8 s ARG 114 Cb -0.20 -3.17 0.01 0.00 0.52 0.00 0.00 34.95 32.11 1fi8 s ARG 114 CO 0.19 -0.19 0.22 -1.13 0.02 0.00 0.00 175.30 174.41 1fi8 n SER 115 N 2.09 -0.63 0.11 0.23 3.41 -1.03 -4.98 113.62 112.82 1fi8 n SER 115 Ca 0.04 -1.65 0.12 0.00 -0.26 0.00 0.00 58.87 57.12 1fi8 n SER 115 Cb 0.43 1.11 0.46 0.00 -0.26 0.00 0.00 64.21 65.95 1fi8 n SER 115 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1fi8 n SER 116 N -1.65 0.64 -0.04 4.04 3.41 -1.26 -2.93 113.62 115.84 1fi8 n SER 116 Ca -0.01 0.62 0.07 0.00 -0.26 0.00 0.00 58.87 59.29 1fi8 n SER 116 Cb 0.22 -0.77 -0.07 0.00 -0.26 0.00 0.00 64.21 63.32 1fi8 n SER 116 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fi8 n ALA 117 N -1.75 3.80 -3.76 7.33 0.00 -1.26 -4.83 120.51 120.04 1fi8 n ALA 117 Ca 0.03 -0.42 -0.28 0.00 0.00 0.00 0.00 53.44 52.77 1fi8 n ALA 117 Cb 0.29 -0.53 -0.16 0.00 0.00 0.00 0.00 19.45 19.05 1fi8 n ALA 117 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1fi8 s VAL 118 N -2.30 0.67 -0.14 0.00 1.01 -1.15 -3.77 120.40 114.71 1fi8 s VAL 118 Ca 0.06 -0.70 -0.12 0.00 0.00 0.00 0.00 61.98 61.23 1fi8 s VAL 118 Cb 0.11 -1.17 0.04 0.00 0.00 0.00 0.00 36.38 35.36 1fi8 s VAL 118 CO 0.57 -0.23 0.37 -0.54 0.00 0.00 0.00 175.10 175.28 1fi8 s LYS 119 N 1.79 0.41 0.79 2.72 -0.14 -1.02 -2.47 119.74 121.82 1fi8 s LYS 119 Ca -0.01 0.57 -0.14 0.00 -1.36 0.00 0.00 55.97 55.03 1fi8 s LYS 119 Cb -0.17 0.15 0.06 0.00 -1.68 0.00 0.00 37.83 36.18 1fi8 s LYS 119 CO -0.09 -0.08 1.05 -2.30 -0.76 0.00 0.00 175.35 173.18 1fi8 n PRO 120 N 3.23 0.23 -4.52 -1.68 -0.02 -1.26 -2.74 135.00 128.24 1fi8 n PRO 120 Ca -0.16 0.15 -0.34 0.00 -2.02 0.00 0.00 63.50 61.13 1fi8 n PRO 120 Cb 0.57 -2.31 -0.11 0.00 -0.02 0.00 0.00 33.50 31.62 1fi8 n PRO 120 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1fi8 s LEU 121 N -4.44 3.25 0.36 2.45 2.96 0.14 -4.85 118.68 118.54 1fi8 s LEU 121 Ca 0.72 -0.04 -0.26 0.00 -0.22 0.00 0.00 54.13 54.33 1fi8 s LEU 121 Cb -0.30 -1.74 -0.09 0.00 0.50 0.00 0.00 46.19 44.56 1fi8 s LEU 121 CO 0.52 0.30 1.08 0.20 -1.32 0.00 0.00 176.35 177.13 1fi8 s ASN 122 N -0.41 6.91 0.29 3.68 0.02 -1.26 -4.54 114.94 119.63 1fi8 s ASN 122 Ca 0.06 2.15 -0.04 0.00 -1.02 0.00 0.00 52.86 54.01 1fi8 s ASN 122 Cb -0.12 -2.60 -0.05 0.00 0.02 0.00 0.00 41.25 38.49 1fi8 s ASN 122 CO 0.02 -0.39 0.55 -0.76 0.02 0.00 0.00 177.10 176.54 1fi8 s LEU 123 N -2.20 4.05 1.03 0.60 1.43 -1.26 -1.62 118.68 120.70 1fi8 s LEU 123 Ca 0.53 0.69 -0.12 0.00 -1.03 0.00 0.00 54.13 54.20 1fi8 s LEU 123 Cb -0.26 -3.51 0.21 0.00 0.03 0.00 0.00 46.19 42.65 1fi8 s LEU 123 CO 0.33 -0.20 1.07 -2.16 0.23 0.00 0.00 176.35 175.62 1fi8 s PRO 124 N -3.61 0.14 0.54 1.29 0.04 -1.26 -4.85 135.00 127.29 1fi8 s PRO 124 Ca 0.44 0.76 -0.02 0.00 0.04 0.00 0.00 61.00 62.21 1fi8 s PRO 124 Cb -0.11 -1.68 0.01 0.00 0.04 0.00 0.00 34.50 32.76 1fi8 s PRO 124 CO 0.31 -2.99 0.80 1.03 0.04 0.00 0.00 177.00 176.19 1fi8 s ARG 125 N -4.76 2.87 0.50 4.56 0.52 -1.26 -4.99 118.95 116.38 1fi8 s ARG 125 Ca 0.66 -0.33 -0.23 0.00 -0.52 0.00 0.00 55.73 55.31 1fi8 s ARG 125 Cb -0.21 -2.41 -0.07 0.00 0.52 0.00 0.00 34.95 32.78 1fi8 s ARG 125 CO 0.60 -0.57 1.34 2.89 0.02 0.00 0.00 175.30 179.58 1fi8 n ARG 126 N -2.37 1.84 -1.19 3.54 -4.01 -1.26 -2.83 116.66 110.38 1fi8 n ARG 126 Ca 0.04 0.67 -0.07 0.00 -1.04 0.00 0.00 57.85 57.45 1fi8 n ARG 126 Cb 0.58 -2.53 -0.03 0.00 -3.04 0.00 0.00 32.46 27.45 1fi8 n ARG 126 CO 0.00 0.00 0.00 0.27 -3.04 0.00 0.00 177.63 174.86 1fi8 n ASN 127 N -0.52 -5.01 -4.74 2.89 0.23 -1.26 -4.99 115.26 101.86 1fi8 n ASN 127 Ca 0.08 0.16 -0.41 0.00 -0.53 0.00 0.00 54.58 53.89 1fi8 n ASN 127 Cb 0.43 -3.09 -0.05 0.00 -2.08 0.00 0.00 39.78 34.99 1fi8 n ASN 127 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1fi8 s VAL 128 N -1.85 4.29 0.13 3.53 1.01 -1.13 -5.05 120.40 121.33 1fi8 s VAL 128 Ca 0.00 2.04 0.09 0.00 0.00 0.00 0.00 61.98 64.11 1fi8 s VAL 128 Cb 0.00 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1fi8 s VAL 128 CO 0.00 0.38 -0.22 -1.59 0.00 0.00 0.00 175.10 173.68 1fi8 s LYS 129 N -0.48 1.23 -0.59 2.72 0.00 -1.26 -4.89 119.74 116.48 1fi8 s LYS 129 Ca 0.45 -1.27 -0.01 0.00 0.00 0.00 0.00 55.97 55.14 1fi8 s LYS 129 Cb -0.25 -1.50 0.15 0.00 0.00 0.00 0.00 37.83 36.23 1fi8 s LYS 129 CO 0.31 0.34 0.38 0.14 0.00 0.00 0.00 175.35 176.52 1fi8 s VAL 130 N -1.36 3.35 0.51 1.79 -7.23 -1.26 -5.09 120.40 111.10 1fi8 s VAL 130 Ca 0.11 -3.05 -0.17 0.00 -1.81 0.00 0.00 61.98 57.06 1fi8 s VAL 130 Cb -0.09 -3.22 -0.08 0.00 0.56 0.00 0.00 36.38 33.55 1fi8 s VAL 130 CO 0.05 -0.85 0.98 -1.59 -0.31 0.00 0.00 175.10 173.39 1fi8 s LYS 131 N -0.11 3.97 0.27 4.82 -2.85 -1.26 -4.97 119.74 119.61 1fi8 s LYS 131 Ca 0.17 0.98 -0.30 0.00 -1.00 0.00 0.00 55.97 55.82 1fi8 s LYS 131 Cb -0.22 -2.14 -0.14 0.00 -2.06 0.00 0.00 37.83 33.28 1fi8 s LYS 131 CO -0.02 -0.26 1.23 -2.30 0.10 0.00 0.00 175.35 174.09 1fi8 n PRO 132 N -1.48 1.72 0.00 1.78 -0.02 -1.26 -1.93 135.00 133.81 1fi8 n PRO 132 Ca 0.07 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1fi8 n PRO 132 Cb 0.54 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 1fi8 n PRO 132 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fi8 n GLY 133 N 1.55 3.07 3.75 -1.23 0.00 -0.08 -4.99 105.19 107.25 1fi8 n GLY 133 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1fi8 n GLY 133 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fi8 s ASP 134 N -1.21 4.54 -0.18 1.61 1.01 -0.81 -4.73 116.67 116.91 1fi8 s ASP 134 Ca 0.00 2.07 -0.04 0.00 0.71 0.00 0.00 52.55 55.29 1fi8 s ASP 134 Cb 0.00 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 1fi8 s ASP 134 CO 0.00 -2.02 -0.04 -0.69 0.21 0.00 0.00 175.17 172.64 1fi8 s VAL 135 N -2.40 3.74 0.31 -1.27 1.01 -1.26 -1.37 120.40 119.17 1fi8 s VAL 135 Ca 0.68 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 62.29 1fi8 s VAL 135 Cb -0.22 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 1fi8 s VAL 135 CO 0.47 0.47 0.14 0.00 0.00 0.00 0.00 175.10 176.17 1fi8 s TYR 137 N -3.55 0.72 0.07 0.00 1.51 -0.13 -0.64 117.35 115.34 1fi8 s TYR 137 Ca 0.34 -0.76 0.03 0.00 -1.01 0.00 0.00 57.07 55.67 1fi8 s TYR 137 Cb 0.05 -0.43 -0.03 0.00 -0.11 0.00 0.00 41.96 41.44 1fi8 s TYR 137 CO 0.16 -0.16 -0.09 0.14 -1.11 0.00 0.00 175.55 174.50 1fi8 s VAL 138 N -2.72 0.71 0.04 0.71 -7.23 -0.61 -0.65 120.40 110.66 1fi8 s VAL 138 Ca 0.01 -1.40 0.00 0.00 -1.81 0.00 0.00 61.98 58.79 1fi8 s VAL 138 Cb -0.01 -1.04 -0.03 0.00 0.56 0.00 0.00 36.38 35.86 1fi8 s VAL 138 CO -0.03 -0.51 -0.04 0.00 -0.31 0.00 0.00 175.10 174.20 1fi8 s ALA 139 N -2.07 0.42 0.00 1.32 0.00 -1.26 -1.39 121.76 118.78 1fi8 s ALA 139 Ca -0.01 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.05 1fi8 s ALA 139 Cb -0.05 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.24 1fi8 s ALA 139 CO -0.01 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1fi8 n GLY 140 N 0.94 1.27 1.57 0.00 0.00 0.37 -4.72 105.19 104.62 1fi8 n GLY 140 Ca -0.19 -0.87 0.10 0.00 0.00 0.00 0.00 46.02 45.05 1fi8 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1fi8 n TRP 141 N -0.42 1.46 -0.39 1.61 8.01 -1.26 -1.67 117.44 124.78 1fi8 n TRP 141 Ca 0.00 -0.61 -0.20 0.00 -1.31 0.00 0.00 57.50 55.38 1fi8 n TRP 141 Cb 0.00 -0.23 0.18 0.00 -2.01 0.00 0.00 31.31 29.26 1fi8 n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1fi8 n GLY 142 N 1.15 -3.47 3.74 6.99 0.00 -1.26 -2.54 105.19 109.80 1fi8 n GLY 142 Ca 0.26 -1.34 -0.35 0.00 0.00 0.00 0.00 46.02 44.59 1fi8 n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fi8 s LYS 143 N -4.46 2.55 0.00 1.61 1.02 0.03 -2.64 119.74 117.84 1fi8 s LYS 143 Ca 0.45 1.76 0.25 0.00 0.02 0.00 0.00 55.97 58.45 1fi8 s LYS 143 Cb -0.07 -1.88 0.50 0.00 -0.52 0.00 0.00 37.83 35.86 1fi8 s LYS 143 CO 0.37 -1.52 1.41 1.28 -0.92 0.00 0.00 175.35 175.96 1fi8 n LEU 144 N -2.22 0.53 -3.74 3.17 4.77 -0.66 -0.11 117.00 118.74 1fi8 n LEU 144 Ca 0.13 -0.02 -0.03 0.00 -0.03 0.00 0.00 56.01 56.06 1fi8 n LEU 144 Cb 0.50 -0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 41.34 1fi8 n LEU 144 CO 0.46 0.13 0.77 -0.83 -1.33 0.00 0.00 177.39 176.59 1fi8 s GLY 145 N -2.98 -0.24 0.32 -0.72 0.00 -1.26 -4.40 107.32 98.04 1fi8 s GLY 145 Ca 0.11 0.18 0.10 0.00 0.00 0.00 0.00 44.72 45.11 1fi8 s GLY 145 CO 0.70 0.07 1.64 -2.55 0.00 0.00 0.00 173.10 172.95 1fi8 h PRO 146 N 2.00 0.20 0.00 2.90 0.11 -1.94 0.92 132.00 136.19 1fi8 h PRO 146 Ca -0.25 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1fi8 h PRO 146 Cb 1.23 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1fi8 h PRO 146 CO 0.26 0.13 -0.01 -1.33 -0.21 0.00 0.00 178.00 176.84 1fi8 n MET 147 N -5.19 2.28 -1.21 1.05 2.81 -1.26 -4.95 117.12 110.65 1fi8 n MET 147 Ca 0.28 -1.84 -0.30 0.00 -1.81 0.00 0.00 57.70 54.03 1fi8 n MET 147 Cb 0.90 -1.15 0.23 0.00 -0.71 0.00 0.00 33.22 32.48 1fi8 n MET 147 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1fi8 s GLY 148 N -1.63 1.61 0.37 3.03 0.00 0.31 -5.07 107.32 105.94 1fi8 s GLY 148 Ca 0.11 -0.94 0.05 0.00 0.00 0.00 0.00 44.72 43.94 1fi8 s GLY 148 CO 0.01 -0.09 0.52 0.54 0.00 0.00 0.00 173.10 174.08 1fi8 s LYS 149 N -5.44 3.09 0.62 2.90 3.01 -1.26 -4.64 119.74 118.02 1fi8 s LYS 149 Ca 0.71 -0.89 -0.15 0.00 -1.01 0.00 0.00 55.97 54.63 1fi8 s LYS 149 Cb -0.10 -2.75 -0.02 0.00 -1.01 0.00 0.00 37.83 33.95 1fi8 s LYS 149 CO 0.56 -0.04 1.08 0.71 0.51 0.00 0.00 175.35 178.17 1fi8 s TYR 151 N -2.28 2.85 -0.02 3.18 1.51 -1.26 -1.65 117.35 119.68 1fi8 s TYR 151 Ca 0.46 1.52 -0.13 0.00 -1.01 0.00 0.00 57.07 57.92 1fi8 s TYR 151 Cb -0.10 -3.06 -0.05 0.00 -0.11 0.00 0.00 41.96 38.64 1fi8 s TYR 151 CO 0.33 -1.34 0.35 0.45 -1.11 0.00 0.00 175.55 174.23 1fi8 s SER 152 N -2.76 6.71 0.10 2.29 0.15 -1.05 -4.88 113.70 114.26 1fi8 s SER 152 Ca 0.65 0.85 0.05 0.00 0.70 0.00 0.00 55.95 58.20 1fi8 s SER 152 Cb -0.18 -2.21 -0.22 0.00 -1.71 0.00 0.00 66.02 61.70 1fi8 s SER 152 CO 0.40 0.34 1.21 0.44 1.20 0.00 0.00 173.24 176.82 1fi8 h ASP 153 N 4.71 0.07 -3.01 5.45 3.32 -1.93 -3.44 116.42 121.59 1fi8 h ASP 153 Ca -0.52 -0.08 -0.64 0.00 0.02 0.00 0.00 57.03 55.81 1fi8 h ASP 153 Cb 1.22 -0.02 -0.07 0.00 0.22 0.00 0.00 39.33 40.68 1fi8 h ASP 153 CO 0.61 1.06 -0.54 0.42 -1.72 0.00 0.00 179.24 179.07 1fi8 s THR 154 N -2.69 5.01 0.20 0.35 -4.23 -1.26 -1.55 115.64 111.47 1fi8 s THR 154 Ca -0.00 -0.43 -0.32 0.00 -1.18 0.00 0.00 61.69 59.75 1fi8 s THR 154 Cb 0.09 -3.37 -0.12 0.00 1.34 0.00 0.00 72.50 70.44 1fi8 s THR 154 CO 0.83 0.24 1.69 -0.11 -0.54 0.00 0.00 174.62 176.73 1fi8 n LEU 155 N 0.74 3.83 -4.46 4.79 7.94 -0.24 -4.75 117.00 124.85 1fi8 n LEU 155 Ca -0.10 1.07 -0.30 0.00 -1.11 0.00 0.00 56.01 55.57 1fi8 n LEU 155 Cb 0.52 -1.55 -0.12 0.00 0.53 0.00 0.00 43.42 42.80 1fi8 n LEU 155 CO 0.44 0.09 -0.50 -1.10 -1.11 0.00 0.00 177.39 175.21 1fi8 s GLN 156 N 1.08 1.87 0.06 1.96 -1.52 -0.67 -1.56 119.66 120.88 1fi8 s GLN 156 Ca 0.76 -1.11 0.03 0.00 -1.95 0.00 0.00 55.36 53.09 1fi8 s GLN 156 Cb -0.54 -2.12 -0.03 0.00 -0.22 0.00 0.00 33.01 30.11 1fi8 s GLN 156 CO 0.34 0.51 -0.08 -1.83 -0.25 0.00 0.00 175.29 173.97 1fi8 s GLU 157 N -1.77 0.62 0.00 2.91 -1.05 -0.62 -0.48 118.70 118.33 1fi8 s GLU 157 Ca 0.16 -0.89 -0.20 0.00 -0.15 0.00 0.00 54.97 53.89 1fi8 s GLU 157 Cb -0.10 -0.35 0.04 0.00 -0.44 0.00 0.00 34.13 33.27 1fi8 s GLU 157 CO 0.07 0.06 0.43 0.54 0.95 0.00 0.00 175.26 177.31 1fi8 s VAL 158 N -1.77 0.04 0.04 1.83 0.11 -0.48 -1.66 120.40 118.51 1fi8 s VAL 158 Ca -0.05 -0.36 -0.19 0.00 -2.93 0.00 0.00 61.98 58.45 1fi8 s VAL 158 Cb -0.07 -0.84 -0.06 0.00 -1.53 0.00 0.00 36.38 33.88 1fi8 s VAL 158 CO -0.00 -0.20 0.54 -0.70 -3.33 0.00 0.00 175.10 171.41 1fi8 s GLU 159 N -1.77 4.19 0.00 1.54 2.12 -1.26 -1.57 118.70 121.95 1fi8 s GLU 159 Ca -0.10 0.67 0.03 0.00 0.36 0.00 0.00 54.97 55.94 1fi8 s GLU 159 Cb -0.02 -3.27 -0.01 0.00 0.26 0.00 0.00 34.13 31.09 1fi8 s GLU 159 CO 0.03 0.57 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.69 1fi8 s LEU 160 N -0.82 2.05 -0.18 2.70 1.43 0.19 -4.87 118.68 119.18 1fi8 s LEU 160 Ca 0.28 -0.24 -0.08 0.00 -1.03 0.00 0.00 54.13 53.06 1fi8 s LEU 160 Cb -0.19 -0.53 -0.04 0.00 0.03 0.00 0.00 46.19 45.46 1fi8 s LEU 160 CO 0.17 0.10 0.07 -0.89 0.23 0.00 0.00 176.35 176.04 1fi8 s THR 161 N -0.38 4.88 0.28 5.49 2.01 -1.26 -1.32 115.64 125.34 1fi8 s THR 161 Ca 0.03 -0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.74 1fi8 s THR 161 Cb -0.05 -3.20 -0.10 0.00 0.01 0.00 0.00 72.50 69.16 1fi8 s THR 161 CO -0.00 0.46 1.31 -0.69 -0.69 0.00 0.00 174.62 175.01 1fi8 s VAL 162 N 0.33 2.91 0.47 3.82 1.01 -0.47 -0.56 120.40 127.91 1fi8 s VAL 162 Ca 0.04 0.84 0.07 0.00 0.00 0.00 0.00 61.98 62.93 1fi8 s VAL 162 Cb -0.12 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.73 1fi8 s VAL 162 CO -0.00 0.17 0.39 -1.10 0.00 0.00 0.00 175.10 174.55 1fi8 s GLN 163 N -1.05 2.38 0.32 2.72 -1.52 0.50 -0.91 119.66 122.10 1fi8 s GLN 163 Ca 0.52 -1.76 -0.29 0.00 -1.95 0.00 0.00 55.36 51.89 1fi8 s GLN 163 Cb -0.39 -2.24 -0.10 0.00 -0.22 0.00 0.00 33.01 30.06 1fi8 s GLN 163 CO 0.46 -0.38 1.27 -2.00 -0.25 0.00 0.00 175.29 174.39 1fi8 s GLU 164 N -4.19 4.41 0.56 2.91 2.56 -1.26 -4.49 118.70 119.20 1fi8 s GLU 164 Ca 0.43 2.13 0.29 0.00 0.00 0.00 0.00 54.97 57.82 1fi8 s GLU 164 Cb -0.02 -3.10 1.47 0.00 2.00 0.00 0.00 34.13 34.48 1fi8 s GLU 164 CO 0.25 -0.11 1.93 -0.44 -0.56 0.00 0.00 175.26 176.33 1fi8 h ASP 165 N 3.55 0.00 -0.91 -1.70 3.32 -1.98 -0.04 116.42 118.66 1fi8 h ASP 165 Ca -0.48 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.56 1fi8 h ASP 165 Cb 1.22 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.73 1fi8 h ASP 165 CO 0.66 0.00 0.53 -0.61 -1.72 0.00 0.00 179.24 178.10 1fi8 h GLN 166 N 0.00 1.24 -0.59 3.56 -0.00 -1.99 -1.61 115.11 115.72 1fi8 h GLN 166 Ca 0.27 -0.12 0.11 0.00 -0.00 0.00 0.00 58.65 58.91 1fi8 h GLN 166 Cb 1.23 -0.25 -0.09 0.00 0.00 0.00 0.00 27.48 28.37 1fi8 h GLN 166 CO -0.00 0.88 0.09 0.87 0.00 0.00 0.00 178.83 180.67 1fi8 h LYS 167 N 1.25 0.21 -0.05 1.69 1.79 -1.36 -2.41 116.57 117.70 1fi8 h LYS 167 Ca 0.32 -0.01 -0.25 0.00 -2.18 0.00 0.00 60.65 58.53 1fi8 h LYS 167 Cb -0.02 -0.05 0.02 0.00 -1.58 0.00 0.00 32.23 30.60 1fi8 h LYS 167 CO -0.06 0.14 -0.94 0.00 -1.08 0.00 0.00 179.45 177.52 1fi8 h GLU 169 N 0.41 0.33 0.05 0.00 5.08 -0.81 0.31 114.58 119.94 1fi8 h GLU 169 Ca -0.10 -0.02 -0.34 0.00 -1.00 0.00 0.00 59.36 57.89 1fi8 h GLU 169 Cb 1.58 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.72 1fi8 h GLU 169 CO 0.19 0.22 -1.92 -1.13 -1.00 0.00 0.00 179.01 175.36 1fi8 n SER 170 N -4.50 2.00 0.27 1.42 3.41 -1.06 -3.64 113.62 111.52 1fi8 n SER 170 Ca 0.22 0.24 0.15 0.00 -0.26 0.00 0.00 58.87 59.21 1fi8 n SER 170 Cb 0.82 -0.82 0.72 0.00 -0.26 0.00 0.00 64.21 64.66 1fi8 n SER 170 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1fi8 h TYR 171 N -0.44 0.00 -1.07 7.33 5.03 -1.14 -2.57 116.97 124.11 1fi8 h TYR 171 Ca -0.47 0.00 -0.58 0.00 2.58 0.00 0.00 58.73 60.26 1fi8 h TYR 171 Cb 1.72 0.00 -0.41 0.00 1.55 0.00 0.00 36.73 39.59 1fi8 h TYR 171 CO 0.05 0.10 -0.61 1.28 -1.32 0.00 0.00 178.16 177.66 1fi8 n LEU 171 N -3.35 5.14 -1.45 2.82 4.32 0.11 -4.96 117.00 119.62 1fi8 n LEU 171 Ca -0.01 -4.88 -0.20 0.00 -0.02 0.00 0.00 56.01 50.90 1fi8 n LEU 171 Cb 0.28 -0.45 -0.04 0.00 -1.62 0.00 0.00 43.42 41.59 1fi8 n LEU 171 CO 0.29 2.10 0.59 2.29 -1.22 0.00 0.00 177.39 181.44 1fi8 n LYS 172 N -0.64 0.00 -3.06 3.23 2.85 -0.97 -1.68 118.16 117.88 1fi8 n LYS 172 Ca 0.44 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.57 1fi8 n LYS 172 Cb 0.82 -0.51 0.05 0.00 -0.65 0.00 0.00 35.03 34.74 1fi8 n LYS 172 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1fi8 n ASN 173 N 2.57 -3.48 0.00 -5.58 5.03 -1.26 -4.88 115.26 107.66 1fi8 n ASN 173 Ca 0.19 -0.37 0.00 0.00 0.87 0.00 0.00 54.58 55.27 1fi8 n ASN 173 Cb -0.01 -3.42 0.00 0.00 -1.02 0.00 0.00 39.78 35.33 1fi8 n ASN 173 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1fi8 n TYR 174 N -3.58 -0.02 -2.01 3.10 4.01 -0.68 -5.09 117.16 112.90 1fi8 n TYR 174 Ca -0.08 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.26 1fi8 n TYR 174 Cb 0.57 0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 1fi8 n TYR 174 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1fi8 s PHE 175 N -1.02 2.73 -0.37 -0.72 5.36 -1.22 -4.95 117.98 117.80 1fi8 s PHE 175 Ca 0.00 1.40 0.00 0.00 -0.96 0.00 0.00 56.93 57.37 1fi8 s PHE 175 Cb 0.00 -3.69 0.12 0.00 -0.34 0.00 0.00 43.02 39.11 1fi8 s PHE 175 CO 0.00 -2.23 0.18 0.34 -1.46 0.00 0.00 175.22 172.05 1fi8 s ASP 176 N -0.77 3.60 0.62 6.13 -1.08 -1.26 -4.94 116.67 118.97 1fi8 s ASP 176 Ca 0.59 -2.13 0.14 0.00 -0.52 0.00 0.00 52.55 50.63 1fi8 s ASP 176 Cb -0.38 -0.79 0.76 0.00 -1.46 0.00 0.00 42.92 41.05 1fi8 s ASP 176 CO 0.49 -0.33 1.41 0.07 0.52 0.00 0.00 175.17 177.32 1fi8 h LYS 177 N 7.33 0.00 0.02 4.34 5.09 -1.94 -0.35 116.57 131.06 1fi8 h LYS 177 Ca -0.05 0.00 -0.06 0.00 0.09 0.00 0.00 60.65 60.64 1fi8 h LYS 177 Cb 0.97 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.30 1fi8 h LYS 177 CO 0.42 0.00 -0.28 0.00 -2.09 0.00 0.00 179.45 177.51 1fi8 h ALA 178 N 0.66 0.02 -0.16 0.07 0.00 -2.03 -3.39 119.26 114.44 1fi8 h ALA 178 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1fi8 h ALA 178 Cb 1.30 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1fi8 h ALA 178 CO 0.00 0.15 0.00 0.09 0.00 0.00 0.00 179.25 179.49 1fi8 n ASN 179 N -4.51 2.78 -4.14 0.00 5.03 -0.71 -4.90 115.26 108.80 1fi8 n ASN 179 Ca -0.13 -1.82 -0.15 0.00 0.87 0.00 0.00 54.58 53.35 1fi8 n ASN 179 Cb 0.56 -0.10 -0.11 0.00 -1.02 0.00 0.00 39.78 39.11 1fi8 n ASN 179 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1fi8 s GLU 180 N -1.40 0.74 0.04 3.52 2.02 -0.22 -0.27 118.70 123.13 1fi8 s GLU 180 Ca 0.26 -0.99 0.04 0.00 0.02 0.00 0.00 54.97 54.30 1fi8 s GLU 180 Cb 0.16 -0.51 -0.04 0.00 0.10 0.00 0.00 34.13 33.85 1fi8 s GLU 180 CO 0.24 0.09 -0.05 0.42 0.02 0.00 0.00 175.26 175.97 1fi8 s ILE 181 N -1.88 3.71 -0.23 -1.63 1.01 0.18 -4.51 121.20 117.85 1fi8 s ILE 181 Ca -0.01 -0.91 -0.05 0.00 0.00 0.00 0.00 60.65 59.68 1fi8 s ILE 181 Cb -0.06 -2.68 -0.01 0.00 0.01 0.00 0.00 42.46 39.72 1fi8 s ILE 181 CO 0.00 0.27 -0.01 0.00 0.00 0.00 0.00 174.94 175.21 1fi8 s ALA 183 N 1.51 -0.04 0.00 0.00 0.00 -1.05 -0.37 121.76 121.81 1fi8 s ALA 183 Ca 0.06 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1fi8 s ALA 183 Cb -0.15 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.15 1fi8 s ALA 183 CO -0.01 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 175.93 1fi8 n GLY 184 N 1.24 1.63 3.68 0.00 0.00 0.28 -1.51 105.19 110.51 1fi8 n GLY 184 Ca -0.22 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 1fi8 n GLY 184 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1fi8 s ASP 184 N 0.00 6.48 0.53 1.61 -1.08 -1.26 -3.61 116.67 119.35 1fi8 s ASP 184 Ca 0.00 2.66 0.19 0.00 -0.52 0.00 0.00 52.55 54.88 1fi8 s ASP 184 Cb 0.00 -2.56 1.35 0.00 -1.46 0.00 0.00 42.92 40.26 1fi8 s ASP 184 CO 0.00 -0.98 2.13 1.55 0.52 0.00 0.00 175.17 178.39 1fi8 h PRO 185 N 8.96 0.00 -0.26 4.34 0.13 -1.96 -2.19 132.00 141.01 1fi8 h PRO 185 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1fi8 h PRO 185 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1fi8 h PRO 185 CO 0.94 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.34 1fi8 n LYS 186 N -4.42 1.64 -4.09 0.86 5.02 -1.26 -4.67 118.16 111.24 1fi8 n LYS 186 Ca -0.01 -1.00 -0.26 0.00 -2.02 0.00 0.00 58.31 55.03 1fi8 n LYS 186 Cb 0.19 -1.24 -0.17 0.00 -0.02 0.00 0.00 35.03 33.79 1fi8 n LYS 186 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1fi8 s ILE 187 N -1.65 1.04 -1.05 -0.18 1.01 -0.83 -5.05 121.20 114.50 1fi8 s ILE 187 Ca 0.21 -0.33 -0.11 0.00 0.00 0.00 0.00 60.65 60.41 1fi8 s ILE 187 Cb 0.11 -1.03 -0.07 0.00 0.01 0.00 0.00 42.46 41.47 1fi8 s ILE 187 CO 0.14 0.36 2.21 2.29 0.00 0.00 0.00 174.94 179.94 1fi8 n LYS 188 N 4.63 2.27 -3.93 2.79 -0.00 -1.26 -4.73 118.16 117.93 1fi8 n LYS 188 Ca -0.16 -1.80 -0.17 0.00 -0.00 0.00 0.00 58.31 56.19 1fi8 n LYS 188 Cb 0.50 -2.72 -0.16 0.00 -0.00 0.00 0.00 35.03 32.66 1fi8 n LYS 188 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1fi8 s ARG 188 N 3.60 0.30 0.00 -1.58 0.52 -1.26 -3.70 118.95 116.83 1fi8 s ARG 188 Ca 0.50 0.07 0.00 0.00 -0.52 0.00 0.00 55.73 55.78 1fi8 s ARG 188 Cb 0.13 -0.47 0.00 0.00 0.52 0.00 0.00 34.95 35.13 1fi8 s ARG 188 CO -0.01 -0.13 0.00 0.00 0.02 0.00 0.00 175.30 175.18 1fi8 n ALA 189 N 4.11 0.00 -2.00 2.13 0.00 -0.69 -4.78 120.51 119.29 1fi8 n ALA 189 Ca -0.27 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.87 1fi8 n ALA 189 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.94 1fi8 n ALA 189 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1fi8 s SER 190 N 0.00 6.40 0.00 0.00 1.04 -1.26 -0.66 113.70 119.22 1fi8 s SER 190 Ca 0.00 1.31 0.00 0.00 0.48 0.00 0.00 55.95 57.74 1fi8 s SER 190 Cb 0.00 -2.41 0.00 0.00 0.10 0.00 0.00 66.02 63.71 1fi8 s SER 190 CO 0.00 -0.65 0.00 0.33 0.98 0.00 0.00 173.24 173.90 1fi8 n PHE 191 N -2.06 -0.38 -1.65 5.02 7.35 -1.26 -4.84 117.46 119.64 1fi8 n PHE 191 Ca 0.04 0.00 -0.59 0.00 -0.76 0.00 0.00 57.45 56.15 1fi8 n PHE 191 Cb 0.54 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.30 1fi8 n PHE 191 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 1fi8 n ARG 192 N 0.00 0.70 0.00 -4.13 3.00 -1.26 -0.08 116.66 114.89 1fi8 n ARG 192 Ca 0.00 0.26 0.00 0.00 -0.00 0.00 0.00 57.85 58.11 1fi8 n ARG 192 Cb 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 32.46 30.60 1fi8 n ARG 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1fi8 n GLY 193 N 3.23 3.42 0.13 5.14 0.00 -1.26 -0.79 105.19 115.05 1fi8 n GLY 193 Ca 0.24 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.38 1fi8 n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1fi8 h ASP 194 N 0.00 0.00 -3.45 1.61 3.32 -0.81 -3.20 116.42 113.89 1fi8 h ASP 194 Ca 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 1fi8 h ASP 194 Cb 0.00 0.00 0.19 0.00 0.22 0.00 0.00 39.33 39.74 1fi8 h ASP 194 CO 0.00 0.00 -0.24 -1.54 -1.72 0.00 0.00 179.24 175.74 1fi8 n SER 195 N -2.73 -0.74 0.00 6.45 3.41 -1.25 -1.80 113.62 116.96 1fi8 n SER 195 Ca 0.00 0.58 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 1fi8 n SER 195 Cb 0.55 -1.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.22 1fi8 n SER 195 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fi8 n GLY 196 N 1.41 2.65 3.45 5.00 0.00 -0.17 -0.56 105.19 116.98 1fi8 n GLY 196 Ca 0.11 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 1fi8 n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fi8 n GLY 197 N 0.00 -2.01 3.93 -0.02 0.00 -0.75 -3.75 105.19 102.59 1fi8 n GLY 197 Ca 0.00 -1.10 -0.27 0.00 0.00 0.00 0.00 46.02 44.65 1fi8 n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fi8 s PRO 198 N -4.27 3.53 -0.50 1.61 0.04 -1.26 -0.92 135.00 133.22 1fi8 s PRO 198 Ca 0.67 -0.29 -0.08 0.00 0.04 0.00 0.00 61.00 61.34 1fi8 s PRO 198 Cb -0.24 -2.76 0.13 0.00 0.04 0.00 0.00 34.50 31.67 1fi8 s PRO 198 CO 0.65 0.31 0.37 -1.17 0.04 0.00 0.00 177.00 177.20 1fi8 s LEU 199 N -3.62 5.67 -0.26 -3.56 2.96 0.13 -4.26 118.68 115.74 1fi8 s LEU 199 Ca 0.40 -2.09 -0.26 0.00 -0.22 0.00 0.00 54.13 51.96 1fi8 s LEU 199 Cb -0.11 -1.99 0.00 0.00 0.50 0.00 0.00 46.19 44.60 1fi8 s LEU 199 CO 0.31 -0.63 0.91 -0.69 -1.32 0.00 0.00 176.35 174.92 1fi8 s VAL 200 N 1.10 4.74 -0.10 1.68 1.01 0.17 -2.16 120.40 126.85 1fi8 s VAL 200 Ca 0.08 1.63 0.01 0.00 0.00 0.00 0.00 61.98 63.70 1fi8 s VAL 200 Cb -0.24 -4.21 0.02 0.00 0.00 0.00 0.00 36.38 31.95 1fi8 s VAL 200 CO -0.02 -0.19 -0.10 0.00 0.00 0.00 0.00 175.10 174.78 1fi8 n LYS 202 N 4.46 -7.14 -0.93 0.00 5.02 -1.26 -2.37 118.16 115.94 1fi8 n LYS 202 Ca -0.17 0.79 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 1fi8 n LYS 202 Cb 0.51 -5.79 0.00 0.00 -0.02 0.00 0.00 35.03 29.73 1fi8 n LYS 202 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1fi8 n LYS 203 N -4.70 -1.09 -4.31 1.97 -0.00 -1.26 -4.98 118.16 103.78 1fi8 n LYS 203 Ca -0.08 0.27 -0.19 0.00 -0.00 0.00 0.00 58.31 58.31 1fi8 n LYS 203 Cb 0.59 -4.27 -0.11 0.00 -0.00 0.00 0.00 35.03 31.24 1fi8 n LYS 203 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1fi8 s VAL 204 N -1.44 1.64 -1.09 0.58 -7.23 -1.00 -4.63 120.40 107.23 1fi8 s VAL 204 Ca 0.00 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 57.95 1fi8 s VAL 204 Cb 0.00 -1.85 0.02 0.00 0.56 0.00 0.00 36.38 35.10 1fi8 s VAL 204 CO 0.00 -0.47 1.69 0.00 -0.31 0.00 0.00 175.10 176.01 1fi8 s ALA 209 N -2.50 2.54 -0.15 1.32 0.00 -0.64 -1.46 121.76 120.86 1fi8 s ALA 209 Ca 0.17 -2.27 0.17 0.00 0.00 0.00 0.00 51.96 50.03 1fi8 s ALA 209 Cb -0.03 -4.59 0.20 0.00 0.00 0.00 0.00 23.12 18.70 1fi8 s ALA 209 CO 0.06 -4.00 1.51 0.00 0.00 0.00 0.00 175.76 173.33 1fi8 h ALA 210 N 9.50 0.75 -2.84 0.00 0.00 -1.71 -3.38 119.26 121.58 1fi8 h ALA 210 Ca 0.25 -0.38 -0.21 0.00 0.00 0.00 0.00 54.91 54.57 1fi8 h ALA 210 Cb 0.96 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.59 1fi8 h ALA 210 CO 1.37 0.52 -0.25 0.20 0.00 0.00 0.00 179.25 181.09 1fi8 s GLY 211 N -4.41 1.21 -0.04 0.00 0.00 -1.07 -1.66 107.32 101.35 1fi8 s GLY 211 Ca 0.04 -1.37 0.03 0.00 0.00 0.00 0.00 44.72 43.42 1fi8 s GLY 211 CO 0.72 -0.96 -0.12 -0.42 0.00 0.00 0.00 173.10 172.33 1fi8 s ILE 212 N -3.54 1.03 -0.07 0.90 1.01 -0.57 -0.69 121.20 119.26 1fi8 s ILE 212 Ca 0.30 -0.46 -0.29 0.00 0.00 0.00 0.00 60.65 60.19 1fi8 s ILE 212 Cb 0.01 -0.92 -0.07 0.00 0.01 0.00 0.00 42.46 41.48 1fi8 s ILE 212 CO 0.16 0.32 2.07 -0.69 0.00 0.00 0.00 174.94 176.79 1fi8 s VAL 213 N 0.38 3.03 -0.00 2.92 1.01 -0.10 -0.63 120.40 127.01 1fi8 s VAL 213 Ca -0.08 0.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 1fi8 s VAL 213 Cb -0.12 -3.03 -0.00 0.00 0.00 0.00 0.00 36.38 33.23 1fi8 s VAL 213 CO 0.02 -0.01 -0.01 -0.24 0.00 0.00 0.00 175.10 174.86 1fi8 n SER 214 N 9.28 0.16 -3.50 3.32 2.88 -1.06 -1.00 113.62 123.70 1fi8 n SER 214 Ca 0.24 0.02 -0.08 0.00 -1.33 0.00 0.00 58.87 57.73 1fi8 n SER 214 Cb 0.43 -0.21 -0.00 0.00 -0.75 0.00 0.00 64.21 63.67 1fi8 n SER 214 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1fi8 s TYR 215 N -1.15 -0.07 0.00 0.66 1.13 -0.76 -4.89 117.35 112.27 1fi8 s TYR 215 Ca -0.01 -0.47 0.00 0.00 -1.41 0.00 0.00 57.07 55.17 1fi8 s TYR 215 Cb 0.00 0.76 0.00 0.00 -1.10 0.00 0.00 41.96 41.62 1fi8 s TYR 215 CO 0.02 -1.37 0.00 0.41 -2.51 0.00 0.00 175.55 172.10 1fi8 n GLY 216 N -0.49 0.83 3.78 5.49 0.00 -1.26 0.11 105.19 113.66 1fi8 n GLY 216 Ca -0.06 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 44.79 1fi8 n GLY 216 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fi8 s GLN 217 N -1.45 4.35 0.59 1.61 -0.21 -1.26 -4.92 119.66 118.37 1fi8 s GLN 217 Ca 0.00 1.48 0.31 0.00 0.02 0.00 0.00 55.36 57.17 1fi8 s GLN 217 Cb 0.00 -2.69 1.20 0.00 1.00 0.00 0.00 33.01 32.52 1fi8 s GLN 217 CO 0.00 0.03 1.51 -0.97 -2.12 0.00 0.00 175.29 173.74 1fi8 h ASN 218 N 2.85 0.00 -0.26 5.90 -0.73 -2.01 0.77 115.58 122.09 1fi8 h ASN 218 Ca -0.48 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.69 1fi8 h ASN 218 Cb 1.21 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.80 1fi8 h ASN 218 CO 0.64 0.00 0.00 -0.90 -0.37 0.00 0.00 177.43 176.80 1fi8 n ASP 219 N -3.50 2.09 -0.36 1.15 5.75 -1.26 -4.92 116.55 115.49 1fi8 n ASP 219 Ca 0.23 -1.83 -0.05 0.00 -0.01 0.00 0.00 54.79 53.14 1fi8 n ASP 219 Cb 1.39 -0.17 -0.02 0.00 -1.03 0.00 0.00 41.12 41.28 1fi8 n ASP 219 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1fi8 n GLY 220 N 1.20 0.70 3.85 6.12 0.00 0.26 -4.52 105.19 112.80 1fi8 n GLY 220 Ca 0.16 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 1fi8 n GLY 220 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fi8 s SER 221 N -2.48 4.45 0.27 1.61 1.04 -1.26 -4.83 113.70 112.50 1fi8 s SER 221 Ca 0.00 1.00 0.10 0.00 0.48 0.00 0.00 55.95 57.53 1fi8 s SER 221 Cb 0.00 -1.62 -0.04 0.00 0.10 0.00 0.00 66.02 64.45 1fi8 s SER 221 CO 0.00 -1.96 -0.03 0.42 0.98 0.00 0.00 173.24 172.65 1fi8 s THR 224 N -3.38 3.33 0.88 2.02 -4.23 -1.26 -4.48 115.64 108.52 1fi8 s THR 224 Ca 0.61 -1.97 -0.12 0.00 -1.18 0.00 0.00 61.69 59.03 1fi8 s THR 224 Cb -0.13 -2.77 0.12 0.00 1.34 0.00 0.00 72.50 71.06 1fi8 s THR 224 CO 0.52 -0.37 1.15 -2.16 -0.54 0.00 0.00 174.62 173.21 1fi8 s PRO 225 N -3.63 1.39 0.26 3.99 0.04 -1.24 -4.39 135.00 131.42 1fi8 s PRO 225 Ca 0.31 0.23 0.04 0.00 0.04 0.00 0.00 61.00 61.63 1fi8 s PRO 225 Cb -0.06 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.55 1fi8 s PRO 225 CO 0.19 -2.01 -0.01 1.03 0.04 0.00 0.00 177.00 176.24 1fi8 s ARG 226 N -5.37 1.46 -0.13 4.56 0.52 -0.57 -4.72 118.95 114.68 1fi8 s ARG 226 Ca 0.63 -1.75 -0.05 0.00 -0.52 0.00 0.00 55.73 54.04 1fi8 s ARG 226 Cb -0.14 -0.81 -0.04 0.00 0.52 0.00 0.00 34.95 34.49 1fi8 s ARG 226 CO 0.52 -0.08 0.06 0.00 0.02 0.00 0.00 175.30 175.82 1fi8 s ALA 227 N -3.29 3.48 -0.06 2.13 0.00 0.12 -2.53 121.76 121.61 1fi8 s ALA 227 Ca 0.30 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.56 1fi8 s ALA 227 Cb 0.06 -1.78 0.01 0.00 0.00 0.00 0.00 23.12 21.40 1fi8 s ALA 227 CO 0.11 0.43 -0.15 -0.06 0.00 0.00 0.00 175.76 176.09 1fi8 s PHE 228 N -0.39 1.60 0.21 0.00 0.40 -0.55 -1.82 117.98 117.43 1fi8 s PHE 228 Ca 0.09 -0.54 -0.32 0.00 -0.60 0.00 0.00 56.93 55.56 1fi8 s PHE 228 Cb -0.12 -1.12 -0.14 0.00 0.51 0.00 0.00 43.02 42.15 1fi8 s PHE 228 CO 0.02 -0.23 1.45 2.41 0.70 0.00 0.00 175.22 179.56 1fi8 n THR 229 N 3.49 0.64 -2.74 0.64 -1.04 0.20 0.49 114.28 115.96 1fi8 n THR 229 Ca -0.20 -0.16 -0.42 0.00 -2.04 0.00 0.00 64.05 61.22 1fi8 n THR 229 Cb 0.52 -1.45 -0.03 0.00 -1.82 0.00 0.00 70.33 67.55 1fi8 n THR 229 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1fi8 s LYS 230 N 0.00 3.39 0.22 -2.82 2.20 0.63 -1.52 119.74 121.84 1fi8 s LYS 230 Ca 0.72 -1.06 -0.11 0.00 -0.36 0.00 0.00 55.97 55.16 1fi8 s LYS 230 Cb -0.67 -4.72 0.31 0.00 -1.51 0.00 0.00 37.83 31.24 1fi8 s LYS 230 CO 0.46 -1.97 1.64 0.28 -0.36 0.00 0.00 175.35 175.40 1fi8 h VAL 231 N 6.17 0.40 -1.09 4.02 2.07 -1.61 -2.09 116.25 124.11 1fi8 h VAL 231 Ca -0.03 -0.02 0.30 0.00 0.82 0.00 0.00 66.70 67.77 1fi8 h VAL 231 Cb 1.04 0.33 -0.11 0.00 -1.52 0.00 0.00 31.29 31.03 1fi8 h VAL 231 CO 1.25 0.01 0.69 0.77 0.02 0.00 0.00 177.57 180.31 1fi8 h SER 232 N 0.06 0.43 0.09 0.57 4.64 -1.88 0.12 113.55 117.58 1fi8 h SER 232 Ca 0.34 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1fi8 h SER 232 Cb 0.56 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1fi8 h SER 232 CO -0.62 0.01 0.00 0.74 -0.87 0.00 0.00 176.83 176.09 1fi8 h THR 233 N 0.34 0.00 0.00 2.95 2.02 -1.72 -2.85 112.91 113.64 1fi8 h THR 233 Ca 0.66 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.80 1fi8 h THR 233 Cb 1.72 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.07 1fi8 h THR 233 CO -0.37 0.00 -0.00 0.49 0.37 0.00 0.00 175.52 176.01 1fi8 n PHE 234 N -2.91 0.00 -0.29 3.16 3.72 0.41 -4.82 117.46 116.73 1fi8 n PHE 234 Ca -0.02 -0.63 0.12 0.00 -0.05 0.00 0.00 57.45 56.87 1fi8 n PHE 234 Cb 0.08 -0.08 0.27 0.00 -0.94 0.00 0.00 39.48 38.82 1fi8 n PHE 234 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1fi8 h LEU 235 N 0.00 0.01 -0.18 4.37 4.07 -1.46 -1.04 115.31 121.07 1fi8 h LEU 235 Ca 0.00 0.19 -0.08 0.00 0.08 0.00 0.00 57.88 58.06 1fi8 h LEU 235 Cb 0.63 0.25 -0.00 0.00 1.08 0.00 0.00 40.66 42.62 1fi8 h LEU 235 CO 0.00 -0.13 -0.21 0.28 -1.08 0.00 0.00 178.44 177.29 1fi8 h SER 236 N 0.22 0.51 -0.56 -0.43 0.02 -1.87 -2.29 113.55 109.15 1fi8 h SER 236 Ca 0.53 -0.49 0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1fi8 h SER 236 Cb 1.04 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 63.41 1fi8 h SER 236 CO -0.63 0.90 0.37 -0.25 -1.14 0.00 0.00 176.83 176.08 1fi8 h TRP 237 N 0.13 0.66 0.41 3.45 7.01 -1.74 0.24 115.95 126.10 1fi8 h TRP 237 Ca 0.03 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.02 1fi8 h TRP 237 Cb 0.77 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 27.61 1fi8 h TRP 237 CO 0.08 0.40 -0.20 0.82 -2.79 0.00 0.00 178.44 176.76 1fi8 h ILE 238 N 0.70 0.47 -0.45 2.65 2.04 -1.15 -1.55 117.51 120.23 1fi8 h ILE 238 Ca 0.21 -0.56 0.06 0.00 1.00 0.00 0.00 64.86 65.57 1fi8 h ILE 238 Cb 0.00 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 36.72 1fi8 h ILE 238 CO -0.05 0.08 0.14 0.11 0.00 0.00 0.00 178.15 178.43 1fi8 h LYS 239 N -0.92 0.29 -0.36 2.37 1.57 -1.13 -0.09 116.57 118.29 1fi8 h LYS 239 Ca -0.06 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1fi8 h LYS 239 Cb 0.55 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 1fi8 h LYS 239 CO 0.09 0.19 0.23 1.57 -0.57 0.00 0.00 179.45 180.96 1fi8 h LYS 240 N 0.30 0.45 -0.40 3.15 -0.00 -1.01 0.17 116.57 119.23 1fi8 h LYS 240 Ca 0.21 -0.03 -0.03 0.00 -0.00 0.00 0.00 60.65 60.80 1fi8 h LYS 240 Cb 0.23 -0.10 -0.02 0.00 -0.00 0.00 0.00 32.23 32.33 1fi8 h LYS 240 CO -0.23 0.30 0.10 1.15 -0.00 0.00 0.00 179.45 180.77 1fi8 h THR 241 N 0.46 1.18 0.00 0.07 2.02 -0.62 -2.36 112.91 113.66 1fi8 h THR 241 Ca 0.14 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.68 1fi8 h THR 241 Cb -0.03 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1fi8 h THR 241 CO -0.05 0.23 -0.37 0.24 0.37 0.00 0.00 175.52 175.95 1fi8 h MET 242 N 0.58 0.00 -6.39 6.66 2.86 -0.55 -3.46 114.93 114.63 1fi8 h MET 242 Ca 0.13 0.00 -0.59 0.00 -2.06 0.00 0.00 59.70 57.19 1fi8 h MET 242 Cb 0.22 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.91 1fi8 h MET 242 CO -0.00 0.00 1.02 1.63 1.06 0.00 0.00 176.91 180.61 1fi8 n LYS 243 N -2.61 2.31 0.00 1.72 5.02 0.56 -5.08 118.16 120.09 1fi8 n LYS 243 Ca 0.03 0.84 0.00 0.00 -2.02 0.00 0.00 58.31 57.17 1fi8 n LYS 243 Cb 0.49 -2.68 0.00 0.00 -0.02 0.00 0.00 35.03 32.82 1fi8 n LYS 243 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51