#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 3.49 -0.61 1.39 1.01 0.16 -3.90 121.20 122.74 1fi8 s ILE 17 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.11 1fi8 s ILE 17 Cb 0.00 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 40.03 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 2.68 0.74 0.00 6.18 0.00 -1.24 -1.68 105.19 111.86 1fi8 n GLY 18 Ca -0.18 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.14 1.64 3.30 -0.02 0.00 -1.26 -4.88 105.19 102.82 1fi8 n GLY 19 Ca -0.06 -1.87 -0.11 0.00 0.00 0.00 0.00 46.02 43.98 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 2.20 -0.17 0.19 1.61 -3.43 -0.65 -4.97 115.29 110.07 1fi8 s HIS 20 Ca 0.00 -0.03 -0.32 0.00 -0.80 0.00 0.00 55.06 53.92 1fi8 s HIS 20 Cb 0.00 0.18 -0.11 0.00 -1.43 0.00 0.00 32.58 31.22 1fi8 s HIS 20 CO 0.00 -0.61 1.70 -2.00 -2.00 0.00 0.00 174.74 171.83 1fi8 s GLU 21 N -3.12 4.15 0.64 -0.38 2.12 -1.26 -1.55 118.70 119.28 1fi8 s GLU 21 Ca -0.01 2.55 -0.13 0.00 0.36 0.00 0.00 54.97 57.73 1fi8 s GLU 21 Cb 0.01 -3.14 -0.02 0.00 0.26 0.00 0.00 34.13 31.24 1fi8 s GLU 21 CO -0.07 -0.73 1.05 0.00 -0.54 0.00 0.00 175.26 174.98 1fi8 s ALA 22 N 1.32 2.73 0.01 6.30 0.00 -0.62 -4.85 121.76 126.66 1fi8 s ALA 22 Ca 0.74 0.24 -0.30 0.00 0.00 0.00 0.00 51.96 52.64 1fi8 s ALA 22 Cb -0.48 -3.20 -0.05 0.00 0.00 0.00 0.00 23.12 19.39 1fi8 s ALA 22 CO 0.32 -0.96 1.35 0.21 0.00 0.00 0.00 175.76 176.68 1fi8 s LYS 23 N -4.52 4.31 -0.13 0.00 2.20 -1.26 -4.89 119.74 115.45 1fi8 s LYS 23 Ca 0.61 1.92 -0.41 0.00 -0.36 0.00 0.00 55.97 57.73 1fi8 s LYS 23 Cb -0.15 -3.52 -0.19 0.00 -1.51 0.00 0.00 37.83 32.47 1fi8 s LYS 23 CO 0.45 -0.51 1.30 -2.30 -0.36 0.00 0.00 175.35 173.93 1fi8 n PRO 24 N 5.06 0.31 -1.08 4.03 -0.02 -1.26 -1.03 135.00 141.01 1fi8 n PRO 24 Ca 0.12 0.11 -0.03 0.00 -2.02 0.00 0.00 63.50 61.69 1fi8 n PRO 24 Cb 0.44 -1.65 -0.01 0.00 -0.02 0.00 0.00 33.50 32.26 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 2.61 0.00 0.36 6.00 8.25 -1.26 -4.82 115.22 126.35 1fi8 n HIS 25 Ca 0.23 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.78 1fi8 n HIS 25 Cb 0.07 -2.02 0.42 0.00 1.12 0.00 0.00 29.99 29.58 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 -0.94 0.43 -3.20 0.41 3.41 -0.20 -3.20 113.62 110.34 1fi8 n SER 26 Ca -0.03 0.62 -0.23 0.00 -0.26 0.00 0.00 58.87 58.98 1fi8 n SER 26 Cb 0.48 -0.71 -0.06 0.00 -0.26 0.00 0.00 64.21 63.67 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 -1.99 1.36 0.04 4.33 1.74 -1.26 -4.98 116.66 115.91 1fi8 n ARG 27 Ca 0.02 -3.68 0.02 0.00 -0.77 0.00 0.00 57.85 53.43 1fi8 n ARG 27 Cb 0.17 -1.65 0.10 0.00 -1.02 0.00 0.00 32.46 30.06 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 0.78 0.02 0.06 5.56 -0.04 -1.19 -1.34 135.00 138.85 1fi8 n PRO 28 Ca 0.25 0.37 0.13 0.00 -0.04 0.00 0.00 63.50 64.21 1fi8 n PRO 28 Cb 0.54 -1.80 0.31 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.51 0.57 -1.80 0.54 0.18 -1.09 -2.49 117.16 111.57 1fi8 n TYR 29 Ca -0.00 0.17 -0.42 0.00 1.88 0.00 0.00 57.90 59.53 1fi8 n TYR 29 Cb 0.23 -0.70 -0.02 0.00 -0.38 0.00 0.00 39.34 38.47 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 -3.11 4.14 0.03 -3.48 -1.94 -0.45 -0.83 119.30 113.67 1fi8 s MET 30 Ca 0.09 2.54 0.09 0.00 -1.71 0.00 0.00 55.69 56.70 1fi8 s MET 30 Cb 0.14 -3.06 -0.03 0.00 2.01 0.00 0.00 34.83 33.89 1fi8 s MET 30 CO 0.66 -0.65 -0.25 0.00 -0.01 0.00 0.00 175.02 174.76 1fi8 s ALA 31 N 0.48 2.14 -0.27 3.03 0.00 -0.26 -4.12 121.76 122.76 1fi8 s ALA 31 Ca 0.67 -1.20 -0.03 0.00 0.00 0.00 0.00 51.96 51.40 1fi8 s ALA 31 Cb -0.48 -0.46 0.02 0.00 0.00 0.00 0.00 23.12 22.21 1fi8 s ALA 31 CO 0.41 0.51 -0.01 -0.47 0.00 0.00 0.00 175.76 176.20 1fi8 s TYR 32 N -0.77 3.12 -0.12 0.00 6.14 -0.84 -1.92 117.35 122.96 1fi8 s TYR 32 Ca 0.11 -1.41 -0.04 0.00 0.64 0.00 0.00 57.07 56.37 1fi8 s TYR 32 Cb -0.10 -2.13 -0.03 0.00 0.42 0.00 0.00 41.96 40.12 1fi8 s TYR 32 CO 0.02 -0.69 0.03 -0.51 0.64 0.00 0.00 175.55 175.03 1fi8 s LEU 33 N 1.37 3.69 -0.20 6.97 1.43 -0.26 -1.00 118.68 130.70 1fi8 s LEU 33 Ca 0.00 0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 53.22 1fi8 s LEU 33 Cb -0.17 -1.88 -0.00 0.00 0.03 0.00 0.00 46.19 44.17 1fi8 s LEU 33 CO -0.02 0.31 -0.10 -1.10 0.23 0.00 0.00 176.35 175.67 1fi8 s GLN 34 N -0.47 3.26 -0.02 1.70 -0.21 -0.22 -1.67 119.66 122.04 1fi8 s GLN 34 Ca 0.09 -0.69 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 31.04 1fi8 s GLN 34 CO 0.02 -0.15 -0.16 0.42 -2.12 0.00 0.00 175.29 173.31 1fi8 s ILE 35 N 1.27 2.95 0.26 1.08 1.09 0.68 -0.89 121.20 127.64 1fi8 s ILE 35 Ca 0.03 -0.90 0.11 0.00 -1.10 0.00 0.00 60.65 58.80 1fi8 s ILE 35 Cb -0.14 -2.18 -0.05 0.00 -1.06 0.00 0.00 42.46 39.03 1fi8 s ILE 35 CO -0.05 0.50 -0.20 -0.04 -0.10 0.00 0.00 174.94 175.05 1fi8 s MET 36 N -0.99 1.61 0.00 2.79 -1.94 -0.13 -0.94 119.30 119.70 1fi8 s MET 36 Ca 0.13 -1.71 0.00 0.00 -1.71 0.00 0.00 55.69 52.39 1fi8 s MET 36 Cb -0.11 -1.70 0.00 0.00 2.01 0.00 0.00 34.83 35.04 1fi8 s MET 36 CO 0.02 0.32 0.00 -0.25 -0.01 0.00 0.00 175.02 175.10 1fi8 n ASP 36 N -0.47 0.00 0.00 3.03 8.00 -1.13 -1.63 116.55 124.35 1fi8 n ASP 36 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.44 1fi8 n ASP 36 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 1fi8 n ASP 36 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1fi8 n GLU 36 N 0.00 0.00 -3.42 -1.24 4.71 -1.26 -4.88 120.64 114.55 1fi8 n GLU 36 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.16 56.92 1fi8 n GLU 36 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 31.44 30.33 1fi8 n GLU 36 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 1fi8 s TYR 37 N -2.00 0.11 -0.03 -0.32 1.51 -1.26 -3.60 117.35 111.76 1fi8 s TYR 37 Ca 0.00 -1.03 0.05 0.00 -1.01 0.00 0.00 57.07 55.08 1fi8 s TYR 37 Cb 0.00 -0.65 -0.07 0.00 -0.11 0.00 0.00 41.96 41.13 1fi8 s TYR 37 CO 0.00 -0.90 0.05 0.43 -1.11 0.00 0.00 175.55 174.03 1fi8 n SER 37 N 4.44 3.80 0.00 2.29 7.64 -1.26 -5.08 113.62 125.44 1fi8 n SER 37 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 1fi8 n SER 37 Cb 0.42 0.84 0.00 0.00 -1.01 0.00 0.00 64.21 64.46 1fi8 n SER 37 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fi8 n GLY 38 N 2.52 -0.38 3.49 0.23 0.00 -1.24 -5.05 105.19 104.77 1fi8 n GLY 38 Ca -0.05 0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 1fi8 n GLY 38 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1fi8 s SER 39 N 0.00 2.62 -0.20 1.61 0.15 -1.26 -2.86 113.70 113.76 1fi8 s SER 39 Ca 0.00 -1.61 -0.29 0.00 0.70 0.00 0.00 55.95 54.75 1fi8 s SER 39 Cb 0.00 0.39 0.13 0.00 -1.71 0.00 0.00 66.02 64.84 1fi8 s SER 39 CO 0.00 -0.87 1.04 -1.59 1.20 0.00 0.00 173.24 173.02 1fi8 s LYS 40 N -3.76 0.53 0.02 5.44 -2.85 -0.12 -4.93 119.74 114.07 1fi8 s LYS 40 Ca 0.27 0.25 0.06 0.00 -1.00 0.00 0.00 55.97 55.55 1fi8 s LYS 40 Cb 0.04 0.25 -0.02 0.00 -2.06 0.00 0.00 37.83 36.04 1fi8 s LYS 40 CO 0.15 -0.14 -0.18 0.15 0.10 0.00 0.00 175.35 175.42 1fi8 s LYS 41 N -0.72 1.34 0.29 1.78 3.01 -1.26 -0.23 119.74 123.95 1fi8 s LYS 41 Ca 0.00 -0.78 -0.09 0.00 -1.01 0.00 0.00 55.97 54.09 1fi8 s LYS 41 Cb -0.02 -1.37 0.00 0.00 -1.01 0.00 0.00 37.83 35.44 1fi8 s LYS 41 CO -0.01 0.36 0.49 0.00 0.51 0.00 0.00 175.35 176.70 1fi8 s GLY 43 N -3.09 2.27 0.00 0.00 0.00 0.33 -1.10 107.32 105.72 1fi8 s GLY 43 Ca 0.25 -1.39 0.00 0.00 0.00 0.00 0.00 44.72 43.58 1fi8 s GLY 43 CO 0.13 -1.90 0.00 0.61 0.00 0.00 0.00 173.10 171.94 1fi8 n GLY 44 N -1.85 -1.16 3.29 0.20 0.00 -0.81 -3.58 105.19 101.28 1fi8 n GLY 44 Ca 0.01 -0.99 -0.14 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.16 -0.30 -0.19 1.61 -0.71 -0.18 -1.10 117.98 114.95 1fi8 s PHE 45 Ca 0.00 0.55 -0.27 0.00 -1.04 0.00 0.00 56.93 56.17 1fi8 s PHE 45 Cb 0.00 0.15 -0.00 0.00 -1.21 0.00 0.00 43.02 41.96 1fi8 s PHE 45 CO 0.00 -0.38 0.93 -1.17 -1.34 0.00 0.00 175.22 173.26 1fi8 s LEU 46 N -1.00 4.15 0.00 -1.99 2.96 -0.01 -0.30 118.68 122.49 1fi8 s LEU 46 Ca -0.10 1.28 0.11 0.00 -0.22 0.00 0.00 54.13 55.20 1fi8 s LEU 46 Cb -0.04 -3.38 -0.05 0.00 0.50 0.00 0.00 46.19 43.21 1fi8 s LEU 46 CO 0.04 -0.52 0.58 2.30 -1.32 0.00 0.00 176.35 177.44 1fi8 n ILE 47 N 4.98 0.00 -3.61 6.68 -5.35 -0.78 0.32 119.36 121.60 1fi8 n ILE 47 Ca 0.08 -0.32 -0.09 0.00 -0.27 0.00 0.00 62.75 62.14 1fi8 n ILE 47 Cb 0.48 1.07 -0.06 0.00 -1.74 0.00 0.00 39.64 39.39 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 -1.72 0.52 0.53 6.28 3.52 -1.18 -4.62 118.95 122.28 1fi8 s ARG 48 Ca 0.07 0.33 0.42 0.00 -0.13 0.00 0.00 55.73 56.42 1fi8 s ARG 48 Cb 0.09 0.25 1.45 0.00 -1.56 0.00 0.00 34.95 35.17 1fi8 s ARG 48 CO 0.36 -0.12 1.40 -0.85 -0.81 0.00 0.00 175.30 175.28 1fi8 n GLU 49 N 1.40 0.00 -0.04 5.12 0.28 -1.26 -0.12 120.64 126.03 1fi8 n GLU 49 Ca -0.11 1.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.90 1fi8 n GLU 49 Cb 0.57 -2.35 0.03 0.00 1.43 0.00 0.00 31.44 31.13 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 -3.64 2.19 -3.83 -1.84 5.75 -1.26 -0.77 116.55 113.15 1fi8 n ASP 50 Ca 0.37 -2.06 -0.17 0.00 -0.01 0.00 0.00 54.79 52.92 1fi8 n ASP 50 Cb 1.79 -0.06 -0.16 0.00 -1.03 0.00 0.00 41.12 41.66 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 -1.10 0.37 -0.13 2.11 0.08 0.83 -1.46 117.98 118.67 1fi8 s PHE 51 Ca 0.06 -0.03 -0.00 0.00 0.12 0.00 0.00 56.93 57.07 1fi8 s PHE 51 Cb 0.04 -0.44 -0.01 0.00 -0.57 0.00 0.00 43.02 42.04 1fi8 s PHE 51 CO 0.03 -0.13 -0.13 0.08 -0.10 0.00 0.00 175.22 174.97 1fi8 s VAL 52 N 0.97 3.07 -0.14 -0.44 1.01 0.13 -1.87 120.40 123.13 1fi8 s VAL 52 Ca -0.10 -0.65 -0.10 0.00 0.00 0.00 0.00 61.98 61.13 1fi8 s VAL 52 Cb -0.14 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 1fi8 s VAL 52 CO -0.01 0.52 0.19 -0.22 0.00 0.00 0.00 175.10 175.57 1fi8 s LEU 53 N 0.37 4.31 0.00 3.92 2.96 0.59 -0.27 118.68 130.55 1fi8 s LEU 53 Ca -0.11 0.44 0.00 0.00 -0.22 0.00 0.00 54.13 54.24 1fi8 s LEU 53 Cb -0.16 -2.17 0.00 0.00 0.50 0.00 0.00 46.19 44.36 1fi8 s LEU 53 CO 0.05 0.27 0.00 1.07 -1.32 0.00 0.00 176.35 176.43 1fi8 n THR 54 N 2.77 0.00 -3.37 3.68 5.66 -0.14 -1.01 114.28 121.86 1fi8 n THR 54 Ca -0.17 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.46 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 -1.51 3.62 0.43 1.79 0.00 -1.26 -0.63 121.76 124.21 1fi8 s ALA 55 Ca 0.00 -0.10 0.12 0.00 0.00 0.00 0.00 51.96 51.98 1fi8 s ALA 55 Cb 0.00 -2.52 0.95 0.00 0.00 0.00 0.00 23.12 21.56 1fi8 s ALA 55 CO 0.00 0.45 2.01 0.00 0.00 0.00 0.00 175.76 178.22 1fi8 h ALA 56 N 4.25 1.70 0.00 0.00 0.00 -1.71 -2.12 119.26 121.37 1fi8 h ALA 56 Ca -0.50 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.29 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 0.23 0.00 -2.39 0.00 0.00 0.00 179.25 177.73 1fi8 n HIS 57 N -4.38 0.00 1.22 0.00 1.44 -1.26 -2.12 115.22 110.12 1fi8 n HIS 57 Ca -0.01 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.79 1fi8 n HIS 57 Cb 0.19 -0.16 0.33 0.00 0.12 0.00 0.00 29.99 30.47 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 -1.43 3.73 0.08 0.00 0.15 -0.90 -4.89 113.70 110.43 1fi8 s SER 59 Ca 0.29 1.75 -0.26 0.00 0.70 0.00 0.00 55.95 58.44 1fi8 s SER 59 Cb 0.16 -2.40 0.09 0.00 -1.71 0.00 0.00 66.02 62.16 1fi8 s SER 59 CO 0.23 -2.51 1.16 -0.83 1.20 0.00 0.00 173.24 172.48 1fi8 s GLY 60 N -3.25 -0.13 0.56 9.45 0.00 -1.26 -4.97 107.32 107.72 1fi8 s GLY 60 Ca 0.63 0.09 0.31 0.00 0.00 0.00 0.00 44.72 45.75 1fi8 s GLY 60 CO 0.57 2.37 2.16 1.48 0.00 0.00 0.00 173.10 179.68 1fi8 h SER 61 N 2.00 0.00 -3.72 1.64 4.64 -1.65 -3.43 113.55 113.03 1fi8 h SER 61 Ca -0.26 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.01 1fi8 h SER 61 Cb 1.21 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.08 1fi8 h SER 61 CO 0.31 0.06 -0.00 -0.75 -0.87 0.00 0.00 176.83 175.58 1fi8 s LYS 64 N -4.28 0.70 0.03 4.77 2.20 -1.15 -5.02 119.74 117.00 1fi8 s LYS 64 Ca -0.03 0.94 0.04 0.00 -0.36 0.00 0.00 55.97 56.55 1fi8 s LYS 64 Cb 0.13 0.29 -0.02 0.00 -1.51 0.00 0.00 37.83 36.72 1fi8 s LYS 64 CO 0.55 -0.11 -0.12 0.42 -0.36 0.00 0.00 175.35 175.73 1fi8 s ILE 65 N 0.67 0.94 -0.01 5.43 1.01 -1.26 -0.95 121.20 127.02 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 41.54 1fi8 s ILE 65 CO -0.04 -0.04 -0.13 -1.58 0.00 0.00 0.00 174.94 173.15 1fi8 s GLN 66 N -1.09 1.12 -0.08 2.79 0.74 -0.07 -2.47 119.66 120.61 1fi8 s GLN 66 Ca -0.00 -0.47 0.03 0.00 0.05 0.00 0.00 55.36 54.97 1fi8 s GLN 66 Cb -0.08 -1.07 -0.02 0.00 1.10 0.00 0.00 33.01 32.95 1fi8 s GLN 66 CO 0.01 0.26 -0.15 0.08 -0.55 0.00 0.00 175.29 174.94 1fi8 s VAL 67 N -0.22 2.94 -0.24 1.34 1.01 -0.39 -1.05 120.40 123.79 1fi8 s VAL 67 Ca 0.03 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.30 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 0.00 175.10 174.65 1fi8 s THR 67 N -0.28 2.11 0.41 3.92 2.01 -0.17 -0.17 115.64 123.48 1fi8 s THR 67 Ca 0.02 -1.46 0.08 0.00 0.31 0.00 0.00 61.69 60.64 1fi8 s THR 67 Cb -0.13 -2.16 0.00 0.00 0.01 0.00 0.00 72.50 70.23 1fi8 s THR 67 CO 0.03 0.10 0.54 -0.76 -0.69 0.00 0.00 174.62 173.83 1fi8 s LEU 68 N 1.16 3.66 -1.11 4.42 1.43 0.69 -1.99 118.68 126.94 1fi8 s LEU 68 Ca -0.06 -0.43 -0.19 0.00 -1.03 0.00 0.00 54.13 52.43 1fi8 s LEU 68 Cb -0.18 -2.61 -0.02 0.00 0.03 0.00 0.00 46.19 43.41 1fi8 s LEU 68 CO -0.07 -0.72 0.81 0.61 0.23 0.00 0.00 176.35 177.21 1fi8 n GLY 69 N -1.80 -1.03 3.27 -3.19 0.00 -1.24 -1.42 105.19 99.78 1fi8 n GLY 69 Ca 0.07 0.48 -0.15 0.00 0.00 0.00 0.00 46.02 46.42 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 -3.44 1.51 0.20 4.61 0.00 -1.26 -2.80 121.76 120.58 1fi8 s ALA 70 Ca 0.46 -1.70 0.00 0.00 0.00 0.00 0.00 51.96 50.72 1fi8 s ALA 70 Cb -0.15 0.74 0.00 0.00 0.00 0.00 0.00 23.12 23.70 1fi8 s ALA 70 CO 0.85 -0.37 0.00 1.58 0.00 0.00 0.00 175.76 177.82 1fi8 n HIS 71 N -0.33 -1.52 -3.45 0.00 -0.00 -1.26 -4.61 115.22 104.05 1fi8 n HIS 71 Ca -0.04 0.27 -0.43 0.00 0.46 0.00 0.00 57.72 57.98 1fi8 n HIS 71 Cb 0.64 0.40 -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 -5.26 6.11 0.65 0.26 3.84 -1.26 -1.11 114.94 118.17 1fi8 s ASN 72 Ca 0.00 -2.33 0.36 0.00 0.21 0.00 0.00 52.86 51.10 1fi8 s ASN 72 Cb 0.00 -2.10 1.98 0.00 -0.55 0.00 0.00 41.25 40.58 1fi8 s ASN 72 CO 0.00 -0.63 2.16 -0.29 -2.79 0.00 0.00 177.10 175.55 1fi8 h ILE 73 N 5.45 0.13 0.00 -5.21 6.09 -1.65 -1.95 117.51 120.38 1fi8 h ILE 73 Ca -0.08 0.00 -0.05 0.00 -1.37 0.00 0.00 64.86 63.36 1fi8 h ILE 73 Cb 1.05 0.85 -0.01 0.00 0.47 0.00 0.00 36.82 39.18 1fi8 h ILE 73 CO 0.84 0.00 -0.35 0.11 -3.07 0.00 0.00 178.15 175.67 1fi8 h LYS 74 N 0.00 0.00 -6.47 2.19 6.56 -1.92 -3.46 116.57 113.47 1fi8 h LYS 74 Ca 0.02 0.00 -0.46 0.00 -1.06 0.00 0.00 60.65 59.15 1fi8 h LYS 74 Cb 0.33 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.00 1fi8 h LYS 74 CO -0.00 0.21 -0.24 -1.21 -2.06 0.00 0.00 179.45 176.15 1fi8 s GLU 75 N -3.11 3.23 -1.29 3.15 2.02 -0.73 -5.01 118.70 116.96 1fi8 s GLU 75 Ca 0.05 -0.65 -0.13 0.00 0.02 0.00 0.00 54.97 54.26 1fi8 s GLU 75 Cb 0.07 -2.71 0.14 0.00 0.10 0.00 0.00 34.13 31.72 1fi8 s GLU 75 CO 0.72 0.03 1.77 0.94 0.02 0.00 0.00 175.26 178.74 1fi8 n GLN 76 N -1.78 3.38 -2.47 1.61 7.27 -1.26 -4.94 117.38 119.18 1fi8 n GLN 76 Ca -0.02 -3.47 -0.41 0.00 0.07 0.00 0.00 57.00 53.17 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 4.51 0.27 3.69 2.02 -1.26 -4.95 118.70 124.64 1fi8 s GLU 77 Ca 0.44 1.74 -0.04 0.00 0.02 0.00 0.00 54.97 57.13 1fi8 s GLU 77 Cb 0.06 -3.31 0.37 0.00 0.10 0.00 0.00 34.13 31.34 1fi8 s GLU 77 CO -0.00 -0.09 1.93 1.57 0.02 0.00 0.00 175.26 178.69 1fi8 h LYS 78 N 5.94 1.20 0.00 1.61 2.10 -1.94 -2.33 116.57 123.14 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 0.76 0.79 0.00 -1.33 -2.00 0.00 0.00 179.45 177.68 1fi8 n MET 79 N -4.42 0.05 -2.21 0.07 2.81 -1.26 -4.82 117.12 107.34 1fi8 n MET 79 Ca 0.12 0.34 -0.40 0.00 -1.81 0.00 0.00 57.70 55.96 1fi8 n MET 79 Cb 0.06 -1.61 -0.02 0.00 -0.71 0.00 0.00 33.22 30.94 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 -3.10 4.24 -0.21 0.03 -0.21 -0.88 -4.55 119.66 114.98 1fi8 s GLN 80 Ca 0.05 2.04 -0.00 0.00 0.02 0.00 0.00 55.36 57.47 1fi8 s GLN 80 Cb 0.08 -2.92 0.05 0.00 1.00 0.00 0.00 33.01 31.23 1fi8 s GLN 80 CO 0.26 -0.22 -0.04 -0.65 -2.12 0.00 0.00 175.29 172.51 1fi8 s GLN 81 N -1.97 1.43 -0.37 2.91 -0.21 -0.51 -4.97 119.66 115.98 1fi8 s GLN 81 Ca 0.52 -0.77 -0.19 0.00 0.02 0.00 0.00 55.36 54.95 1fi8 s GLN 81 Cb -0.36 -2.36 0.00 0.00 1.00 0.00 0.00 33.01 31.30 1fi8 s GLN 81 CO 0.46 -0.56 0.54 0.42 -2.12 0.00 0.00 175.29 174.03 1fi8 s ILE 82 N 1.53 4.99 -0.10 1.08 -1.09 -1.26 -0.22 121.20 126.13 1fi8 s ILE 82 Ca -0.03 0.28 0.01 0.00 -2.23 0.00 0.00 60.65 58.68 1fi8 s ILE 82 Cb -0.18 -4.01 0.02 0.00 -1.58 0.00 0.00 42.46 36.71 1fi8 s ILE 82 CO -0.07 -0.29 -0.12 -0.63 -1.23 0.00 0.00 174.94 172.60 1fi8 s ILE 83 N 2.46 1.27 0.59 2.92 1.01 0.76 -5.00 121.20 125.22 1fi8 s ILE 83 Ca 0.19 -0.50 -0.16 0.00 0.00 0.00 0.00 60.65 60.18 1fi8 s ILE 83 Cb -0.15 -1.20 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 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 1.12 3.37 -0.07 2.79 0.02 -1.26 -1.27 135.00 139.70 1fi8 s PRO 84 Ca -0.05 1.17 -0.17 0.00 0.02 0.00 0.00 61.00 61.97 1fi8 s PRO 84 Cb -0.14 -2.04 -0.05 0.00 0.02 0.00 0.00 34.50 32.29 1fi8 s PRO 84 CO -0.02 -0.77 0.45 0.08 -0.33 0.00 0.00 177.00 176.41 1fi8 s VAL 85 N -2.49 5.12 -0.18 3.83 1.01 -1.03 -0.06 120.40 126.59 1fi8 s VAL 85 Ca 0.63 0.91 0.17 0.00 0.00 0.00 0.00 61.98 63.69 1fi8 s VAL 85 Cb -0.15 -3.78 -0.24 0.00 0.00 0.00 0.00 36.38 32.21 1fi8 s VAL 85 CO 0.37 0.42 0.08 0.55 0.00 0.00 0.00 175.10 176.52 1fi8 n VAL 86 N 2.99 1.22 -3.75 2.92 3.14 0.06 -4.79 118.33 120.11 1fi8 n VAL 86 Ca -0.10 -0.78 -0.22 0.00 -2.96 0.00 0.00 64.34 60.29 1fi8 n VAL 86 Cb 0.52 -0.47 -0.18 0.00 -1.06 0.00 0.00 33.84 32.65 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 -2.50 0.46 -0.30 1.45 3.01 -1.18 -5.01 119.74 115.66 1fi8 s LYS 87 Ca -0.09 0.17 -0.13 0.00 -1.01 0.00 0.00 55.97 54.91 1fi8 s LYS 87 Cb 0.06 -0.87 -0.03 0.00 -1.01 0.00 0.00 37.83 35.98 1fi8 s LYS 87 CO 0.77 -0.31 0.27 0.42 0.51 0.00 0.00 175.35 177.02 1fi8 s ILE 88 N 2.00 5.25 -0.50 2.17 1.01 -1.26 -1.52 121.20 128.35 1fi8 s ILE 88 Ca 0.05 0.14 0.03 0.00 0.00 0.00 0.00 60.65 60.87 1fi8 s ILE 88 Cb -0.12 -3.66 0.14 0.00 0.01 0.00 0.00 42.46 38.82 1fi8 s ILE 88 CO -0.05 0.10 0.28 -0.63 0.00 0.00 0.00 174.94 174.64 1fi8 s ILE 89 N 1.87 1.96 0.55 2.92 1.01 -0.25 -5.03 121.20 124.22 1fi8 s ILE 89 Ca 0.09 -3.02 -0.15 0.00 0.00 0.00 0.00 60.65 57.57 1fi8 s ILE 89 Cb -0.16 -2.35 -0.07 0.00 0.01 0.00 0.00 42.46 39.89 1fi8 s ILE 89 CO 0.11 -0.88 1.00 -2.16 0.00 0.00 0.00 174.94 173.01 1fi8 s PRO 90 N -0.08 3.81 0.19 2.79 0.04 -1.26 -1.48 135.00 139.01 1fi8 s PRO 90 Ca 0.19 0.92 -0.31 0.00 0.04 0.00 0.00 61.00 61.83 1fi8 s PRO 90 Cb -0.22 -2.11 -0.10 0.00 0.04 0.00 0.00 34.50 32.10 1fi8 s PRO 90 CO -0.02 -0.39 1.56 -1.58 0.04 0.00 0.00 177.00 176.60 1fi8 s HIS 91 N -2.76 3.02 0.62 0.56 2.46 -0.90 -4.87 115.29 113.43 1fi8 s HIS 91 Ca 0.58 0.70 0.33 0.00 0.47 0.00 0.00 55.06 57.14 1fi8 s HIS 91 Cb -0.11 -3.93 1.85 0.00 -0.13 0.00 0.00 32.58 30.26 1fi8 s HIS 91 CO 0.37 -3.35 2.13 -1.00 -2.47 0.00 0.00 174.74 170.43 1fi8 h PRO 92 N 6.31 0.00 -0.35 2.88 0.13 -1.93 -0.13 132.00 138.91 1fi8 h PRO 92 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 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 0.88 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.65 1fi8 n ALA 93 N -2.18 2.46 -1.70 -0.56 0.00 -1.26 -4.95 120.51 112.32 1fi8 n ALA 93 Ca -0.00 -0.76 -0.44 0.00 0.00 0.00 0.00 53.44 52.24 1fi8 n ALA 93 Cb 0.27 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.71 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 0.82 2.46 -3.85 0.00 9.36 -0.06 -4.71 117.16 121.19 1fi8 n TYR 94 Ca 0.17 0.32 -0.30 0.00 3.32 0.00 0.00 57.90 61.40 1fi8 n TYR 94 Cb 0.42 -2.54 -0.14 0.00 -0.63 0.00 0.00 39.34 36.45 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 0.51 4.13 0.48 2.98 3.04 -0.80 -4.99 114.94 120.30 1fi8 s ASN 95 Ca 0.69 -2.47 0.22 0.00 0.04 0.00 0.00 52.86 51.34 1fi8 s ASN 95 Cb -0.59 -1.30 1.26 0.00 -1.54 0.00 0.00 41.25 39.08 1fi8 s ASN 95 CO 0.46 -0.31 1.93 0.77 -3.04 0.00 0.00 177.10 176.92 1fi8 h SER 96 N 7.08 0.18 -0.35 -4.21 4.64 -1.93 0.57 113.55 119.54 1fi8 h SER 96 Ca -0.06 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.21 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 0.09 -0.05 0.11 -0.87 0.00 0.00 176.83 176.65 1fi8 h LYS 97 N 0.19 0.65 -0.01 4.77 6.56 -1.97 -3.25 116.57 123.50 1fi8 h LYS 97 Ca 0.35 -0.23 0.00 0.00 -1.06 0.00 0.00 60.65 59.70 1fi8 h LYS 97 Cb 1.10 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.71 1fi8 h LYS 97 CO -0.06 0.80 -0.58 0.25 -2.06 0.00 0.00 179.45 177.79 1fi8 n THR 98 N -4.45 0.00 -3.39 -0.16 -2.24 -0.80 -4.97 114.28 98.27 1fi8 n THR 98 Ca -0.02 -0.21 -0.23 0.00 -2.27 0.00 0.00 64.05 61.33 1fi8 n THR 98 Cb 0.32 1.20 0.06 0.00 -2.10 0.00 0.00 70.33 69.81 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 -0.33 -2.62 -3.90 2.28 5.41 0.19 -4.95 119.36 115.45 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 -3.77 -0.03 0.00 -0.71 0.00 0.00 39.64 35.57 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 -3.13 6.36 -1.38 4.38 1.04 -1.10 -4.39 113.70 115.47 1fi8 s SER 100 Ca 0.49 0.24 -0.06 0.00 0.48 0.00 0.00 55.95 57.10 1fi8 s SER 100 Cb -0.21 -1.94 0.03 0.00 0.10 0.00 0.00 66.02 63.99 1fi8 s SER 100 CO 0.60 0.07 0.89 0.59 0.98 0.00 0.00 173.24 176.37 1fi8 n ASN 101 N -0.29 -3.14 -3.83 7.02 3.02 -1.26 -1.90 115.26 114.87 1fi8 n ASN 101 Ca -0.06 -0.75 -0.42 0.00 -0.03 0.00 0.00 54.58 53.31 1fi8 n ASN 101 Cb 0.53 -4.21 0.00 0.00 -0.61 0.00 0.00 39.78 35.49 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 4.23 -3.90 6.41 2.03 -1.26 -4.26 116.55 116.82 1fi8 n ASP 102 Ca -0.14 -2.91 -0.11 0.00 0.52 0.00 0.00 54.79 52.15 1fi8 n ASP 102 Cb 0.61 -1.63 -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 2.65 0.03 -0.07 5.18 2.07 -1.26 -3.62 121.20 126.18 1fi8 s ILE 103 Ca 0.46 -0.24 -0.18 0.00 -1.41 0.00 0.00 60.65 59.28 1fi8 s ILE 103 Cb 0.12 -0.08 0.04 0.00 0.13 0.00 0.00 42.46 42.67 1fi8 s ILE 103 CO -0.06 -0.13 0.42 -0.32 -1.91 0.00 0.00 174.94 172.95 1fi8 s MET 104 N -0.39 0.69 -0.00 3.50 -2.45 0.20 -2.11 119.30 118.74 1fi8 s MET 104 Ca -0.04 0.16 0.03 0.00 -1.25 0.00 0.00 55.69 54.59 1fi8 s MET 104 Cb -0.03 0.32 -0.03 0.00 1.25 0.00 0.00 34.83 36.34 1fi8 s MET 104 CO -0.00 -0.17 -0.05 -0.51 1.05 0.00 0.00 175.02 175.34 1fi8 s LEU 105 N -0.78 3.26 -0.15 4.11 1.43 -0.55 -0.97 118.68 125.04 1fi8 s LEU 105 Ca -0.09 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 1fi8 s LEU 105 Cb -0.04 -1.86 0.03 0.00 0.03 0.00 0.00 46.19 44.35 1fi8 s LEU 105 CO 0.04 0.29 -0.12 -0.76 0.23 0.00 0.00 176.35 176.03 1fi8 s LEU 106 N -1.43 1.64 -0.25 1.79 1.43 0.62 -1.09 118.68 121.40 1fi8 s LEU 106 Ca 0.17 -0.51 -0.22 0.00 -1.03 0.00 0.00 54.13 52.55 1fi8 s LEU 106 Cb -0.11 -1.10 -0.01 0.00 0.03 0.00 0.00 46.19 45.00 1fi8 s LEU 106 CO 0.08 -0.09 0.72 -0.75 0.23 0.00 0.00 176.35 176.54 1fi8 s LYS 107 N 1.53 4.14 0.36 1.70 2.47 -0.58 -0.69 119.74 128.67 1fi8 s LYS 107 Ca 0.04 0.72 -0.26 0.00 -1.56 0.00 0.00 55.97 54.91 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 -0.45 1.04 -0.51 0.16 0.00 0.00 175.35 175.49 1fi8 s LEU 108 N 2.63 4.27 0.64 5.43 1.43 -0.54 -0.76 118.68 131.79 1fi8 s LEU 108 Ca 0.30 2.06 0.43 0.00 -1.03 0.00 0.00 54.13 55.89 1fi8 s LEU 108 Cb -0.15 -4.02 2.28 0.00 0.03 0.00 0.00 46.19 44.33 1fi8 s LEU 108 CO 0.08 -0.34 2.31 0.50 0.23 0.00 0.00 176.35 179.12 1fi8 h LYS 109 N 2.93 0.00 -2.11 1.70 3.64 -0.78 -3.43 116.57 118.52 1fi8 h LYS 109 Ca -0.48 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 58.85 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 0.64 0.00 0.09 -1.54 -2.27 0.00 0.00 179.45 176.36 1fi8 s SER 110 N -5.14 -0.69 0.25 4.20 1.04 -1.26 -5.01 113.70 107.09 1fi8 s SER 110 Ca -0.04 1.25 -0.31 0.00 0.48 0.00 0.00 55.95 57.33 1fi8 s SER 110 Cb 0.12 1.24 -0.14 0.00 0.10 0.00 0.00 66.02 67.35 1fi8 s SER 110 CO 0.41 -0.29 1.27 0.29 0.98 0.00 0.00 173.24 175.90 1fi8 n LYS 111 N 2.44 1.74 -2.72 4.02 5.02 -1.26 -4.90 118.16 122.50 1fi8 n LYS 111 Ca -0.15 0.62 -0.40 0.00 -2.02 0.00 0.00 58.31 56.36 1fi8 n LYS 111 Cb 0.56 -2.18 -0.05 0.00 -0.02 0.00 0.00 35.03 33.33 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 -0.40 3.32 -0.10 7.82 0.00 0.05 -5.00 121.76 127.44 1fi8 s ALA 112 Ca 0.66 0.63 -0.30 0.00 0.00 0.00 0.00 51.96 52.95 1fi8 s ALA 112 Cb -0.69 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 19.17 1fi8 s ALA 112 CO 0.54 0.11 1.05 0.15 0.00 0.00 0.00 175.76 177.61 1fi8 s LYS 113 N -0.82 4.40 0.24 0.00 -0.14 -1.26 -4.87 119.74 117.28 1fi8 s LYS 113 Ca 0.43 1.45 -0.30 0.00 -1.36 0.00 0.00 55.97 56.20 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 0.32 -0.36 1.28 1.03 -0.76 0.00 0.00 175.35 176.86 1fi8 s ARG 114 N 2.12 4.41 0.13 1.68 0.52 -1.26 -4.80 118.95 121.74 1fi8 s ARG 114 Ca 0.50 2.06 -0.02 0.00 -0.52 0.00 0.00 55.73 57.74 1fi8 s ARG 114 Cb -0.20 -3.17 0.01 0.00 0.52 0.00 0.00 34.95 32.12 1fi8 s ARG 114 CO 0.18 -0.18 0.21 -1.13 0.02 0.00 0.00 175.30 174.40 1fi8 n SER 115 N 2.05 -0.59 0.13 0.23 3.41 -1.03 -4.98 113.62 112.86 1fi8 n SER 115 Ca 0.04 -1.61 0.13 0.00 -0.26 0.00 0.00 58.87 57.16 1fi8 n SER 115 Cb 0.43 1.04 0.47 0.00 -0.26 0.00 0.00 64.21 65.89 1fi8 n SER 115 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1fi8 h SER 116 N 0.68 0.00 -0.00 4.04 4.64 -1.99 -3.05 113.55 117.86 1fi8 h SER 116 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1fi8 h SER 116 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1fi8 h SER 116 CO 0.13 0.00 -0.56 0.00 -0.87 0.00 0.00 176.83 175.53 1fi8 n ALA 117 N -1.80 3.66 -3.73 5.18 0.00 -1.26 -4.82 120.51 117.73 1fi8 n ALA 117 Ca 0.03 -0.46 -0.28 0.00 0.00 0.00 0.00 53.44 52.73 1fi8 n ALA 117 Cb 0.30 -0.55 -0.16 0.00 0.00 0.00 0.00 19.45 19.04 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 -2.21 0.54 -0.14 0.00 1.01 -1.15 -3.72 120.40 114.74 1fi8 s VAL 118 Ca 0.08 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.33 1fi8 s VAL 118 Cb 0.12 -1.07 0.04 0.00 0.00 0.00 0.00 36.38 35.46 1fi8 s VAL 118 CO 0.53 -0.24 0.37 -0.54 0.00 0.00 0.00 175.10 175.22 1fi8 s LYS 119 N 1.84 0.41 0.80 2.72 -0.14 -1.04 -2.45 119.74 121.88 1fi8 s LYS 119 Ca -0.00 0.56 -0.14 0.00 -1.36 0.00 0.00 55.97 55.02 1fi8 s LYS 119 Cb -0.17 0.15 0.07 0.00 -1.68 0.00 0.00 37.83 36.20 1fi8 s LYS 119 CO -0.09 -0.08 1.13 -2.30 -0.76 0.00 0.00 175.35 173.25 1fi8 n PRO 120 N 3.19 0.23 -4.52 -1.68 -0.02 -1.26 -2.69 135.00 128.26 1fi8 n PRO 120 Ca -0.15 0.15 -0.34 0.00 -2.02 0.00 0.00 63.50 61.14 1fi8 n PRO 120 Cb 0.57 -2.38 -0.12 0.00 -0.02 0.00 0.00 33.50 31.55 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 -4.99 3.21 0.39 2.45 2.96 0.15 -4.86 118.68 117.99 1fi8 s LEU 121 Ca 0.73 -0.07 -0.25 0.00 -0.22 0.00 0.00 54.13 54.32 1fi8 s LEU 121 Cb -0.30 -1.74 -0.09 0.00 0.50 0.00 0.00 46.19 44.57 1fi8 s LEU 121 CO 0.51 0.27 1.12 0.20 -1.32 0.00 0.00 176.35 177.13 1fi8 s ASN 122 N -0.26 6.66 0.28 3.68 0.02 -1.26 -4.54 114.94 119.51 1fi8 s ASN 122 Ca 0.04 2.22 -0.03 0.00 -1.02 0.00 0.00 52.86 54.07 1fi8 s ASN 122 Cb -0.13 -2.60 -0.05 0.00 0.02 0.00 0.00 41.25 38.49 1fi8 s ASN 122 CO 0.02 -0.57 0.52 -0.76 0.02 0.00 0.00 177.10 176.33 1fi8 s LEU 123 N -2.47 4.09 1.03 0.60 1.43 -1.26 -1.61 118.68 120.48 1fi8 s LEU 123 Ca 0.56 0.60 -0.12 0.00 -1.03 0.00 0.00 54.13 54.15 1fi8 s LEU 123 Cb -0.28 -3.42 0.21 0.00 0.03 0.00 0.00 46.19 42.74 1fi8 s LEU 123 CO 0.35 -0.17 1.07 -2.16 0.23 0.00 0.00 176.35 175.66 1fi8 s PRO 124 N -3.61 0.16 0.56 1.29 0.04 -1.26 -4.84 135.00 127.33 1fi8 s PRO 124 Ca 0.42 0.77 -0.03 0.00 0.04 0.00 0.00 61.00 62.20 1fi8 s PRO 124 Cb -0.11 -1.69 0.02 0.00 0.04 0.00 0.00 34.50 32.77 1fi8 s PRO 124 CO 0.31 -2.98 0.82 1.03 0.04 0.00 0.00 177.00 176.22 1fi8 s ARG 125 N -4.76 2.79 0.51 4.56 0.52 -1.26 -4.99 118.95 116.31 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 -2.38 -0.06 0.00 0.52 0.00 0.00 34.95 32.81 1fi8 s ARG 125 CO 0.60 -0.65 1.39 2.89 0.02 0.00 0.00 175.30 179.55 1fi8 n ARG 126 N -2.44 1.93 -1.22 3.54 -4.01 -1.26 -2.89 116.66 110.31 1fi8 n ARG 126 Ca 0.05 0.70 -0.07 0.00 -1.04 0.00 0.00 57.85 57.48 1fi8 n ARG 126 Cb 0.58 -2.60 -0.03 0.00 -3.04 0.00 0.00 32.46 27.37 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 -0.66 -4.93 -4.74 2.89 6.94 -1.26 -4.99 115.26 108.51 1fi8 n ASN 127 Ca 0.08 0.18 -0.41 0.00 -0.02 0.00 0.00 54.58 54.42 1fi8 n ASN 127 Cb 0.43 -3.09 -0.05 0.00 -2.36 0.00 0.00 39.78 34.71 1fi8 n ASN 127 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1fi8 s VAL 128 N -1.93 4.37 0.13 3.53 1.01 -1.14 -5.05 120.40 121.32 1fi8 s VAL 128 Ca 0.00 2.06 0.09 0.00 0.00 0.00 0.00 61.98 64.14 1fi8 s VAL 128 Cb 0.00 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 1fi8 s VAL 128 CO 0.00 0.38 -0.22 -1.59 0.00 0.00 0.00 175.10 173.66 1fi8 s LYS 129 N -0.37 1.25 -0.59 2.72 0.00 -1.26 -4.89 119.74 116.60 1fi8 s LYS 129 Ca 0.45 -1.28 -0.01 0.00 0.00 0.00 0.00 55.97 55.13 1fi8 s LYS 129 Cb -0.24 -1.54 0.15 0.00 0.00 0.00 0.00 37.83 36.20 1fi8 s LYS 129 CO 0.30 0.35 0.39 0.14 0.00 0.00 0.00 175.35 176.53 1fi8 s VAL 130 N -1.34 3.37 0.50 1.79 -7.23 -1.26 -5.09 120.40 111.14 1fi8 s VAL 130 Ca 0.11 -3.08 -0.17 0.00 -1.81 0.00 0.00 61.98 57.03 1fi8 s VAL 130 Cb -0.09 -3.23 -0.08 0.00 0.56 0.00 0.00 36.38 33.53 1fi8 s VAL 130 CO 0.06 -0.85 0.98 -1.59 -0.31 0.00 0.00 175.10 173.38 1fi8 s LYS 131 N -0.14 3.98 0.27 4.82 -2.85 -1.26 -4.97 119.74 119.59 1fi8 s LYS 131 Ca 0.17 1.00 -0.30 0.00 -1.00 0.00 0.00 55.97 55.84 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 -0.25 1.22 -2.30 0.10 0.00 0.00 175.35 174.10 1fi8 n PRO 132 N -1.41 1.72 0.00 1.78 -0.02 -1.26 -1.92 135.00 133.88 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 -2.13 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 1.53 3.16 3.75 -1.23 0.00 0.03 -4.99 105.19 107.43 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 -1.19 4.56 -0.18 1.61 1.01 -0.81 -4.73 116.67 116.93 1fi8 s ASP 134 Ca 0.00 2.08 -0.04 0.00 0.71 0.00 0.00 52.55 55.30 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 -2.01 -0.03 -0.69 0.21 0.00 0.00 175.17 172.65 1fi8 s VAL 135 N -2.38 3.77 0.33 -1.27 1.01 -1.26 -1.34 120.40 119.25 1fi8 s VAL 135 Ca 0.68 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 62.31 1fi8 s VAL 135 Cb -0.22 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 1fi8 s VAL 135 CO 0.47 0.46 0.13 0.00 0.00 0.00 0.00 175.10 176.15 1fi8 s TYR 137 N -3.48 0.71 0.07 0.00 1.51 -0.12 -0.58 117.35 115.46 1fi8 s TYR 137 Ca 0.33 -0.77 0.03 0.00 -1.01 0.00 0.00 57.07 55.65 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 -0.17 -0.09 0.14 -1.11 0.00 0.00 175.55 174.49 1fi8 s VAL 138 N -2.73 0.74 0.05 0.71 -7.23 -0.60 -0.62 120.40 110.73 1fi8 s VAL 138 Ca 0.01 -1.44 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 1fi8 s VAL 138 Cb -0.01 -1.10 -0.03 0.00 0.56 0.00 0.00 36.38 35.81 1fi8 s VAL 138 CO -0.03 -0.52 -0.04 0.00 -0.31 0.00 0.00 175.10 174.19 1fi8 s ALA 139 N -2.15 0.46 0.00 1.32 0.00 -1.26 -1.39 121.76 118.74 1fi8 s ALA 139 Ca -0.00 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1fi8 s ALA 139 Cb -0.05 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.25 1fi8 s ALA 139 CO -0.01 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 175.94 1fi8 n GLY 140 N 0.81 1.18 1.33 0.00 0.00 0.42 -4.72 105.19 104.21 1fi8 n GLY 140 Ca -0.19 -0.88 0.09 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.40 1.17 -0.42 1.61 8.01 -1.26 -1.44 117.44 124.70 1fi8 n TRP 141 Ca 0.00 -0.60 -0.23 0.00 -1.31 0.00 0.00 57.50 55.37 1fi8 n TRP 141 Cb 0.00 -0.17 0.21 0.00 -2.01 0.00 0.00 31.31 29.34 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 0.98 -3.49 3.73 6.99 0.00 -1.26 -2.54 105.19 109.60 1fi8 n GLY 142 Ca 0.23 -1.35 -0.36 0.00 0.00 0.00 0.00 46.02 44.54 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 -4.65 2.51 0.01 1.61 1.02 0.01 -2.72 119.74 117.53 1fi8 s LYS 143 Ca 0.51 1.89 0.25 0.00 0.02 0.00 0.00 55.97 58.64 1fi8 s LYS 143 Cb -0.08 -1.86 0.51 0.00 -0.52 0.00 0.00 37.83 35.89 1fi8 s LYS 143 CO 0.41 -1.59 1.42 1.28 -0.92 0.00 0.00 175.35 175.96 1fi8 n LEU 144 N -2.12 0.50 -3.75 3.17 4.77 -0.64 -0.06 117.00 118.88 1fi8 n LEU 144 Ca 0.14 0.03 -0.03 0.00 -0.03 0.00 0.00 56.01 56.13 1fi8 n LEU 144 Cb 0.49 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 41.32 1fi8 n LEU 144 CO 0.46 0.11 0.76 -0.83 -1.33 0.00 0.00 177.39 176.56 1fi8 s GLY 145 N -3.05 -0.24 0.33 -0.72 0.00 -1.26 -4.39 107.32 97.99 1fi8 s GLY 145 Ca 0.11 0.16 0.11 0.00 0.00 0.00 0.00 44.72 45.10 1fi8 s GLY 145 CO 0.70 0.08 1.63 -2.55 0.00 0.00 0.00 173.10 172.95 1fi8 h PRO 146 N 2.00 0.17 0.00 2.90 0.11 -1.94 0.13 132.00 135.37 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 32.30 1fi8 h PRO 146 CO 0.26 0.11 -0.01 -1.33 -0.21 0.00 0.00 178.00 176.82 1fi8 n MET 147 N -5.21 2.23 -1.16 1.05 2.81 -1.26 -4.95 117.12 110.63 1fi8 n MET 147 Ca 0.29 -1.82 -0.30 0.00 -1.81 0.00 0.00 57.70 54.06 1fi8 n MET 147 Cb 0.94 -1.14 0.23 0.00 -0.71 0.00 0.00 33.22 32.54 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 -1.61 1.60 0.36 3.03 0.00 0.44 -5.07 107.32 106.08 1fi8 s GLY 148 Ca 0.11 -0.94 0.05 0.00 0.00 0.00 0.00 44.72 43.95 1fi8 s GLY 148 CO 0.01 -0.08 0.52 0.54 0.00 0.00 0.00 173.10 174.09 1fi8 s LYS 149 N -5.42 3.08 0.61 2.90 3.01 -1.26 -4.64 119.74 118.01 1fi8 s LYS 149 Ca 0.71 -0.93 -0.15 0.00 -1.01 0.00 0.00 55.97 54.58 1fi8 s LYS 149 Cb -0.10 -2.76 -0.03 0.00 -1.01 0.00 0.00 37.83 33.93 1fi8 s LYS 149 CO 0.56 -0.03 1.07 0.71 0.51 0.00 0.00 175.35 178.16 1fi8 s TYR 151 N -2.26 2.90 -0.02 3.18 1.51 -1.26 -1.61 117.35 119.78 1fi8 s TYR 151 Ca 0.46 1.52 -0.13 0.00 -1.01 0.00 0.00 57.07 57.91 1fi8 s TYR 151 Cb -0.10 -3.04 -0.05 0.00 -0.11 0.00 0.00 41.96 38.66 1fi8 s TYR 151 CO 0.33 -1.25 0.35 0.45 -1.11 0.00 0.00 175.55 174.31 1fi8 s SER 152 N -2.76 6.73 0.11 2.29 0.15 -1.05 -4.88 113.70 114.28 1fi8 s SER 152 Ca 0.64 0.87 0.05 0.00 0.70 0.00 0.00 55.95 58.21 1fi8 s SER 152 Cb -0.17 -2.21 -0.23 0.00 -1.71 0.00 0.00 66.02 61.70 1fi8 s SER 152 CO 0.38 0.34 1.23 0.44 1.20 0.00 0.00 173.24 176.84 1fi8 h ASP 153 N 4.77 0.09 -3.00 5.45 3.32 -1.93 -3.44 116.42 121.68 1fi8 h ASP 153 Ca -0.52 -0.09 -0.63 0.00 0.02 0.00 0.00 57.03 55.80 1fi8 h ASP 153 Cb 1.22 -0.03 -0.07 0.00 0.22 0.00 0.00 39.33 40.68 1fi8 h ASP 153 CO 0.61 1.07 -0.54 0.42 -1.72 0.00 0.00 179.24 179.08 1fi8 s THR 154 N -2.70 5.05 0.22 0.35 -4.23 -1.26 -1.56 115.64 111.53 1fi8 s THR 154 Ca -0.00 -0.45 -0.32 0.00 -1.18 0.00 0.00 61.69 59.74 1fi8 s THR 154 Cb 0.09 -3.41 -0.12 0.00 1.34 0.00 0.00 72.50 70.40 1fi8 s THR 154 CO 0.83 0.21 1.69 -0.11 -0.54 0.00 0.00 174.62 176.70 1fi8 n LEU 155 N 0.62 4.00 -4.44 4.79 7.94 -0.27 -4.74 117.00 124.90 1fi8 n LEU 155 Ca -0.08 1.08 -0.30 0.00 -1.11 0.00 0.00 56.01 55.59 1fi8 n LEU 155 Cb 0.52 -1.57 -0.13 0.00 0.53 0.00 0.00 43.42 42.77 1fi8 n LEU 155 CO 0.46 0.14 -0.51 -1.10 -1.11 0.00 0.00 177.39 175.26 1fi8 s GLN 156 N 0.81 1.88 0.06 1.96 -1.52 -0.52 -1.58 119.66 120.75 1fi8 s GLN 156 Ca 0.73 -1.09 0.03 0.00 -1.95 0.00 0.00 55.36 53.08 1fi8 s GLN 156 Cb -0.52 -2.10 -0.03 0.00 -0.22 0.00 0.00 33.01 30.14 1fi8 s GLN 156 CO 0.36 0.51 -0.09 -1.83 -0.25 0.00 0.00 175.29 173.99 1fi8 s GLU 157 N -1.64 0.66 -0.01 2.91 -1.05 -0.60 -0.43 118.70 118.54 1fi8 s GLU 157 Ca 0.15 -0.92 -0.21 0.00 -0.15 0.00 0.00 54.97 53.84 1fi8 s GLU 157 Cb -0.10 -0.40 0.04 0.00 -0.44 0.00 0.00 34.13 33.23 1fi8 s GLU 157 CO 0.06 0.07 0.45 0.54 0.95 0.00 0.00 175.26 177.33 1fi8 s VAL 158 N -1.79 0.04 0.04 1.83 0.11 -0.48 -1.64 120.40 118.51 1fi8 s VAL 158 Ca -0.04 -0.32 -0.19 0.00 -2.93 0.00 0.00 61.98 58.50 1fi8 s VAL 158 Cb -0.07 -0.82 -0.06 0.00 -1.53 0.00 0.00 36.38 33.90 1fi8 s VAL 158 CO -0.00 -0.17 0.57 -0.70 -3.33 0.00 0.00 175.10 171.46 1fi8 s GLU 159 N -1.58 4.22 -0.00 1.54 2.12 -1.26 -1.55 118.70 122.19 1fi8 s GLU 159 Ca -0.11 0.71 0.03 0.00 0.36 0.00 0.00 54.97 55.97 1fi8 s GLU 159 Cb -0.03 -3.27 -0.01 0.00 0.26 0.00 0.00 34.13 31.08 1fi8 s GLU 159 CO 0.04 0.56 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.70 1fi8 s LEU 160 N -0.81 2.04 -0.19 2.70 1.43 0.25 -4.87 118.68 119.24 1fi8 s LEU 160 Ca 0.29 -0.23 -0.08 0.00 -1.03 0.00 0.00 54.13 53.08 1fi8 s LEU 160 Cb -0.19 -0.54 -0.04 0.00 0.03 0.00 0.00 46.19 45.45 1fi8 s LEU 160 CO 0.18 0.11 0.08 -0.89 0.23 0.00 0.00 176.35 176.06 1fi8 s THR 161 N -0.34 4.95 0.26 5.49 2.01 -1.26 -1.27 115.64 125.48 1fi8 s THR 161 Ca 0.03 0.02 -0.30 0.00 0.31 0.00 0.00 61.69 61.76 1fi8 s THR 161 Cb -0.05 -3.24 -0.10 0.00 0.01 0.00 0.00 72.50 69.13 1fi8 s THR 161 CO -0.00 0.46 1.32 -0.69 -0.69 0.00 0.00 174.62 175.01 1fi8 s VAL 162 N 0.35 2.94 0.47 3.82 1.01 -0.45 -0.52 120.40 128.01 1fi8 s VAL 162 Ca 0.04 0.84 0.07 0.00 0.00 0.00 0.00 61.98 62.94 1fi8 s VAL 162 Cb -0.12 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.73 1fi8 s VAL 162 CO -0.00 0.16 0.42 -1.10 0.00 0.00 0.00 175.10 174.58 1fi8 s GLN 163 N -0.87 2.40 0.31 2.72 -1.52 0.28 -0.79 119.66 122.19 1fi8 s GLN 163 Ca 0.53 -1.72 -0.29 0.00 -1.95 0.00 0.00 55.36 51.93 1fi8 s GLN 163 Cb -0.38 -2.30 -0.10 0.00 -0.22 0.00 0.00 33.01 30.01 1fi8 s GLN 163 CO 0.45 -0.40 1.25 -2.00 -0.25 0.00 0.00 175.29 174.33 1fi8 s GLU 164 N -4.23 4.44 0.56 2.91 2.56 -1.26 -4.48 118.70 119.20 1fi8 s GLU 164 Ca 0.45 2.09 0.29 0.00 0.00 0.00 0.00 54.97 57.79 1fi8 s GLU 164 Cb -0.03 -3.11 1.47 0.00 2.00 0.00 0.00 34.13 34.46 1fi8 s GLU 164 CO 0.27 -0.07 1.93 -0.44 -0.56 0.00 0.00 175.26 176.38 1fi8 h ASP 165 N 3.59 0.00 -0.90 -1.70 3.32 -1.98 0.06 116.42 118.80 1fi8 h ASP 165 Ca -0.48 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.55 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 0.50 -0.61 -1.72 0.00 0.00 179.24 178.08 1fi8 h GLN 166 N 0.00 1.25 -0.59 3.56 -0.00 -1.99 -1.58 115.11 115.76 1fi8 h GLN 166 Ca 0.27 -0.14 0.11 0.00 -0.00 0.00 0.00 58.65 58.88 1fi8 h GLN 166 Cb 1.23 -0.25 -0.08 0.00 0.00 0.00 0.00 27.48 28.38 1fi8 h GLN 166 CO -0.00 0.91 0.12 0.87 0.00 0.00 0.00 178.83 180.73 1fi8 h LYS 167 N 1.26 0.25 -0.03 1.69 1.79 -1.34 -2.41 116.57 117.78 1fi8 h LYS 167 Ca 0.32 -0.01 -0.26 0.00 -2.18 0.00 0.00 60.65 58.51 1fi8 h LYS 167 Cb 0.01 -0.06 0.02 0.00 -1.58 0.00 0.00 32.23 30.62 1fi8 h LYS 167 CO -0.05 0.16 -1.00 0.00 -1.08 0.00 0.00 179.45 177.49 1fi8 h GLU 169 N 0.43 0.32 0.05 0.00 5.08 -0.80 0.29 114.58 119.94 1fi8 h GLU 169 Ca -0.12 -0.02 -0.34 0.00 -1.00 0.00 0.00 59.36 57.88 1fi8 h GLU 169 Cb 1.64 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.78 1fi8 h GLU 169 CO 0.20 0.21 -1.93 -1.13 -1.00 0.00 0.00 179.01 175.35 1fi8 n SER 170 N -4.49 2.00 0.26 1.42 3.41 -1.05 -3.66 113.62 111.51 1fi8 n SER 170 Ca 0.21 0.24 0.14 0.00 -0.26 0.00 0.00 58.87 59.19 1fi8 n SER 170 Cb 0.79 -0.82 0.70 0.00 -0.26 0.00 0.00 64.21 64.62 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 -0.42 0.00 -1.11 7.33 5.03 -1.15 -2.64 116.97 124.02 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 1.73 0.00 -0.41 0.00 1.55 0.00 0.00 36.73 39.60 1fi8 h TYR 171 CO 0.05 0.11 -0.58 1.28 -1.32 0.00 0.00 178.16 177.70 1fi8 n LEU 171 N -3.37 5.17 -1.58 2.82 4.32 0.98 -4.96 117.00 120.38 1fi8 n LEU 171 Ca -0.01 -4.89 -0.22 0.00 -0.02 0.00 0.00 56.01 50.87 1fi8 n LEU 171 Cb 0.29 -0.46 -0.04 0.00 -1.62 0.00 0.00 43.42 41.58 1fi8 n LEU 171 CO 0.29 2.10 0.64 2.29 -1.22 0.00 0.00 177.39 181.49 1fi8 n LYS 172 N -0.63 0.00 -3.07 3.23 2.85 -1.00 -1.69 118.16 117.85 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 0.80 -0.56 0.05 0.00 -0.65 0.00 0.00 35.03 34.68 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 2.77 -3.53 0.00 -5.58 5.03 -1.26 -4.88 115.26 107.81 1fi8 n ASN 173 Ca 0.20 -0.37 0.00 0.00 0.87 0.00 0.00 54.58 55.28 1fi8 n ASN 173 Cb -0.01 -3.45 0.00 0.00 -1.02 0.00 0.00 39.78 35.29 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 -3.61 -0.03 -2.02 3.10 4.01 -0.68 -5.09 117.16 112.85 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 39.62 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 -1.03 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 -3.68 0.12 0.00 -0.34 0.00 0.00 43.02 39.12 1fi8 s PHE 175 CO 0.00 -2.21 0.18 0.34 -1.46 0.00 0.00 175.22 172.07 1fi8 s ASP 176 N -0.79 3.60 0.63 6.13 -1.08 -1.26 -4.94 116.67 118.96 1fi8 s ASP 176 Ca 0.59 -2.11 0.14 0.00 -0.52 0.00 0.00 52.55 50.66 1fi8 s ASP 176 Cb -0.38 -0.78 0.79 0.00 -1.46 0.00 0.00 42.92 41.09 1fi8 s ASP 176 CO 0.48 -0.34 1.43 0.07 0.52 0.00 0.00 175.17 177.33 1fi8 h LYS 177 N 7.36 0.00 0.01 4.34 5.09 -1.94 -0.42 116.57 131.02 1fi8 h LYS 177 Ca -0.05 0.00 -0.04 0.00 0.09 0.00 0.00 60.65 60.65 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 -0.22 0.00 -2.09 0.00 0.00 179.45 177.56 1fi8 h ALA 178 N 0.67 0.02 -0.16 0.07 0.00 -2.03 -3.39 119.26 114.44 1fi8 h ALA 178 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1fi8 h ALA 178 Cb 1.30 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1fi8 h ALA 178 CO 0.00 0.12 0.00 0.09 0.00 0.00 0.00 179.25 179.46 1fi8 n ASN 179 N -4.54 2.81 -4.15 0.00 5.03 -0.74 -4.90 115.26 108.77 1fi8 n ASN 179 Ca -0.13 -1.84 -0.15 0.00 0.87 0.00 0.00 54.58 53.33 1fi8 n ASN 179 Cb 0.54 -0.10 -0.11 0.00 -1.02 0.00 0.00 39.78 39.09 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 -1.43 0.77 0.05 3.52 2.02 -0.24 -0.20 118.70 123.19 1fi8 s GLU 180 Ca 0.26 -1.01 0.05 0.00 0.02 0.00 0.00 54.97 54.29 1fi8 s GLU 180 Cb 0.17 -0.56 -0.04 0.00 0.10 0.00 0.00 34.13 33.80 1fi8 s GLU 180 CO 0.24 0.10 -0.06 0.42 0.02 0.00 0.00 175.26 175.99 1fi8 s ILE 181 N -1.87 3.68 -0.23 -1.63 1.01 0.19 -4.52 121.20 117.83 1fi8 s ILE 181 Ca -0.00 -0.97 -0.04 0.00 0.00 0.00 0.00 60.65 59.64 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 0.01 0.24 -0.03 0.00 0.00 0.00 0.00 174.94 175.16 1fi8 s ALA 183 N 1.50 -0.03 0.00 0.00 0.00 -1.04 -0.55 121.76 121.64 1fi8 s ALA 183 Ca 0.06 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.51 1fi8 s ALA 183 Cb -0.14 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.16 1fi8 s ALA 183 CO -0.02 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.90 1fi8 n GLY 184 N 1.14 1.59 3.68 0.00 0.00 0.32 -1.48 105.19 110.44 1fi8 n GLY 184 Ca -0.21 -0.96 -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 6.49 0.54 1.61 -1.08 -1.26 -3.58 116.67 119.39 1fi8 s ASP 184 Ca 0.00 2.64 0.20 0.00 -0.52 0.00 0.00 52.55 54.87 1fi8 s ASP 184 Cb 0.00 -2.55 1.39 0.00 -1.46 0.00 0.00 42.92 40.29 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 9.08 0.00 -0.26 4.34 0.13 -1.96 -2.14 132.00 141.18 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 -4.37 1.65 -4.06 0.86 5.02 -1.26 -4.68 118.16 111.32 1fi8 n LYS 186 Ca -0.00 -1.01 -0.26 0.00 -2.02 0.00 0.00 58.31 55.02 1fi8 n LYS 186 Cb 0.20 -1.25 -0.17 0.00 -0.02 0.00 0.00 35.03 33.80 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 1.02 -1.04 -0.18 1.01 -0.81 -5.05 121.20 114.50 1fi8 s ILE 187 Ca 0.21 -0.32 -0.12 0.00 0.00 0.00 0.00 60.65 60.42 1fi8 s ILE 187 Cb 0.11 -1.02 -0.08 0.00 0.01 0.00 0.00 42.46 41.48 1fi8 s ILE 187 CO 0.15 0.36 2.19 2.29 0.00 0.00 0.00 174.94 179.93 1fi8 n LYS 188 N 4.67 2.24 -3.88 2.79 -0.00 -1.26 -4.73 118.16 117.99 1fi8 n LYS 188 Ca -0.15 -1.82 -0.17 0.00 -0.00 0.00 0.00 58.31 56.17 1fi8 n LYS 188 Cb 0.50 -2.74 -0.16 0.00 -0.00 0.00 0.00 35.03 32.63 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 3.67 0.23 0.00 -1.58 0.52 -1.26 -3.71 118.95 116.82 1fi8 s ARG 188 Ca 0.50 0.11 0.00 0.00 -0.52 0.00 0.00 55.73 55.82 1fi8 s ARG 188 Cb 0.13 -0.46 0.00 0.00 0.52 0.00 0.00 34.95 35.14 1fi8 s ARG 188 CO -0.00 -0.15 0.00 0.00 0.02 0.00 0.00 175.30 175.17 1fi8 n ALA 189 N 4.23 0.00 -1.97 2.13 0.00 -0.68 -4.77 120.51 119.44 1fi8 n ALA 189 Ca -0.25 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.88 1fi8 n ALA 189 Cb 0.50 0.00 -0.02 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 6.43 0.00 0.00 1.04 -1.26 -0.67 113.70 119.24 1fi8 s SER 190 Ca 0.00 1.36 0.00 0.00 0.48 0.00 0.00 55.95 57.79 1fi8 s SER 190 Cb 0.00 -2.43 0.00 0.00 0.10 0.00 0.00 66.02 63.69 1fi8 s SER 190 CO 0.00 -0.64 0.00 0.33 0.98 0.00 0.00 173.24 173.91 1fi8 n PHE 191 N -1.99 -0.35 -1.67 5.02 7.35 -1.26 -4.84 117.46 119.72 1fi8 n PHE 191 Ca 0.05 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 40.29 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 0.72 0.00 -4.13 3.00 -1.26 -0.15 116.66 114.84 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 -1.87 0.00 0.00 0.00 0.00 0.00 32.46 30.59 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 3.46 2.97 0.10 5.14 0.00 -1.26 -0.81 105.19 114.79 1fi8 n GLY 193 Ca 0.25 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.39 1fi8 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fi8 n ASP 194 N 0.00 0.77 -4.50 1.61 8.00 0.79 -3.36 116.55 119.85 1fi8 n ASP 194 Ca 0.00 0.29 -0.36 0.00 0.71 0.00 0.00 54.79 55.43 1fi8 n ASP 194 Cb 0.00 0.58 0.08 0.00 -0.02 0.00 0.00 41.12 41.77 1fi8 n ASP 194 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1fi8 n SER 195 N -2.62 -0.80 0.00 -2.24 3.41 -1.25 -1.75 113.62 108.37 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 -1.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 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 1.45 2.68 3.46 5.00 0.00 -0.16 -0.52 105.19 117.11 1fi8 n GLY 196 Ca 0.11 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.00 3.93 -0.02 0.00 -0.71 -3.72 105.19 102.67 1fi8 n GLY 197 Ca 0.00 -1.14 -0.26 0.00 0.00 0.00 0.00 46.02 44.62 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 -4.35 3.52 -0.49 1.61 0.04 -1.26 -0.97 135.00 133.10 1fi8 s PRO 198 Ca 0.68 -0.34 -0.08 0.00 0.04 0.00 0.00 61.00 61.30 1fi8 s PRO 198 Cb -0.25 -2.76 0.13 0.00 0.04 0.00 0.00 34.50 31.65 1fi8 s PRO 198 CO 0.65 0.30 0.35 -1.17 0.04 0.00 0.00 177.00 177.17 1fi8 s LEU 199 N -3.73 5.64 -0.24 -3.56 2.96 0.17 -4.25 118.68 115.66 1fi8 s LEU 199 Ca 0.39 -2.04 -0.25 0.00 -0.22 0.00 0.00 54.13 52.01 1fi8 s LEU 199 Cb -0.10 -1.98 -0.00 0.00 0.50 0.00 0.00 46.19 44.61 1fi8 s LEU 199 CO 0.31 -0.64 0.87 -0.69 -1.32 0.00 0.00 176.35 174.88 1fi8 s VAL 200 N 1.17 4.80 -0.09 1.68 1.01 0.21 -2.18 120.40 127.01 1fi8 s VAL 200 Ca 0.07 1.63 0.01 0.00 0.00 0.00 0.00 61.98 63.70 1fi8 s VAL 200 Cb -0.25 -4.15 0.02 0.00 0.00 0.00 0.00 36.38 32.00 1fi8 s VAL 200 CO -0.02 -0.10 -0.10 0.00 0.00 0.00 0.00 175.10 174.88 1fi8 n LYS 202 N 4.43 -6.87 -0.91 0.00 5.02 -1.26 -2.33 118.16 116.25 1fi8 n LYS 202 Ca -0.17 0.77 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 1fi8 n LYS 202 Cb 0.51 -5.73 0.00 0.00 -0.02 0.00 0.00 35.03 29.78 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 -4.65 -1.03 -4.32 1.97 -0.00 -1.26 -4.98 118.16 103.88 1fi8 n LYS 203 Ca -0.10 0.26 -0.20 0.00 -0.00 0.00 0.00 58.31 58.27 1fi8 n LYS 203 Cb 0.60 -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 -1.46 1.71 -1.11 0.58 -7.23 -0.98 -4.63 120.40 107.28 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 -1.87 0.02 0.00 0.56 0.00 0.00 36.38 35.09 1fi8 s VAL 204 CO 0.00 -0.44 1.69 0.00 -0.31 0.00 0.00 175.10 176.03 1fi8 s ALA 209 N -2.42 2.61 -0.15 1.32 0.00 -0.63 -1.53 121.76 120.95 1fi8 s ALA 209 Ca 0.17 -2.33 0.17 0.00 0.00 0.00 0.00 51.96 49.97 1fi8 s ALA 209 Cb -0.04 -4.59 0.23 0.00 0.00 0.00 0.00 23.12 18.72 1fi8 s ALA 209 CO 0.06 -3.93 1.52 0.00 0.00 0.00 0.00 175.76 173.41 1fi8 h ALA 210 N 9.33 0.77 -2.82 0.00 0.00 -1.71 -3.38 119.26 121.45 1fi8 h ALA 210 Ca 0.26 -0.36 -0.19 0.00 0.00 0.00 0.00 54.91 54.62 1fi8 h ALA 210 Cb 0.96 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.58 1fi8 h ALA 210 CO 1.38 0.50 -0.27 0.20 0.00 0.00 0.00 179.25 181.06 1fi8 s GLY 211 N -4.40 1.16 -0.05 0.00 0.00 -1.06 -1.71 107.32 101.26 1fi8 s GLY 211 Ca 0.04 -1.35 0.03 0.00 0.00 0.00 0.00 44.72 43.44 1fi8 s GLY 211 CO 0.72 -0.97 -0.12 -0.42 0.00 0.00 0.00 173.10 172.31 1fi8 s ILE 212 N -3.66 1.08 -0.05 0.90 1.01 -0.59 -0.65 121.20 119.24 1fi8 s ILE 212 Ca 0.30 -0.49 -0.29 0.00 0.00 0.00 0.00 60.65 60.16 1fi8 s ILE 212 Cb 0.01 -0.97 -0.08 0.00 0.01 0.00 0.00 42.46 41.44 1fi8 s ILE 212 CO 0.15 0.33 2.06 -0.69 0.00 0.00 0.00 174.94 176.79 1fi8 s VAL 213 N 0.37 3.01 0.00 2.92 1.01 -0.15 -0.70 120.40 126.86 1fi8 s VAL 213 Ca -0.08 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 1fi8 s VAL 213 Cb -0.12 -3.01 -0.00 0.00 0.00 0.00 0.00 36.38 33.24 1fi8 s VAL 213 CO 0.02 -0.00 -0.01 -0.24 0.00 0.00 0.00 175.10 174.87 1fi8 n SER 214 N 9.02 0.13 -3.59 3.32 2.88 -1.07 -0.99 113.62 123.33 1fi8 n SER 214 Ca 0.23 0.02 -0.08 0.00 -1.33 0.00 0.00 58.87 57.72 1fi8 n SER 214 Cb 0.42 -0.20 -0.01 0.00 -0.75 0.00 0.00 64.21 63.68 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 -1.13 -0.08 0.00 0.66 1.13 -0.74 -4.89 117.35 112.30 1fi8 s TYR 215 Ca -0.01 -0.44 0.00 0.00 -1.41 0.00 0.00 57.07 55.21 1fi8 s TYR 215 Cb 0.00 0.73 0.00 0.00 -1.10 0.00 0.00 41.96 41.59 1fi8 s TYR 215 CO 0.01 -1.33 0.00 0.41 -2.51 0.00 0.00 175.55 172.13 1fi8 n GLY 216 N -0.48 0.96 3.78 5.49 0.00 -1.26 0.12 105.19 113.79 1fi8 n GLY 216 Ca -0.05 -0.81 -0.37 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.35 4.43 0.60 1.61 -0.21 -1.26 -4.92 119.66 118.56 1fi8 s GLN 217 Ca 0.00 1.49 0.30 0.00 0.02 0.00 0.00 55.36 57.17 1fi8 s GLN 217 Cb 0.00 -2.78 1.14 0.00 1.00 0.00 0.00 33.01 32.38 1fi8 s GLN 217 CO 0.00 0.10 1.47 -0.97 -2.12 0.00 0.00 175.29 173.78 1fi8 h ASN 218 N 3.04 0.00 -0.27 5.90 -0.73 -2.01 0.94 115.58 122.45 1fi8 h ASN 218 Ca -0.47 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.70 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 -3.44 2.17 -0.35 1.15 5.75 -1.26 -4.93 116.55 115.65 1fi8 n ASP 219 Ca 0.22 -1.83 -0.05 0.00 -0.01 0.00 0.00 54.79 53.12 1fi8 n ASP 219 Cb 1.39 -0.17 -0.02 0.00 -1.03 0.00 0.00 41.12 41.29 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 1.22 0.69 3.86 6.12 0.00 0.33 -4.51 105.19 112.89 1fi8 n GLY 220 Ca 0.16 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.49 4.72 0.27 1.61 1.04 -1.26 -4.83 113.70 112.76 1fi8 s SER 221 Ca 0.00 1.05 0.09 0.00 0.48 0.00 0.00 55.95 57.58 1fi8 s SER 221 Cb 0.00 -1.73 -0.04 0.00 0.10 0.00 0.00 66.02 64.35 1fi8 s SER 221 CO 0.00 -1.80 0.02 0.42 0.98 0.00 0.00 173.24 172.86 1fi8 s THR 224 N -3.36 3.51 0.89 2.02 -4.23 -1.26 -4.47 115.64 108.73 1fi8 s THR 224 Ca 0.61 -1.86 -0.12 0.00 -1.18 0.00 0.00 61.69 59.13 1fi8 s THR 224 Cb -0.12 -2.90 0.13 0.00 1.34 0.00 0.00 72.50 70.94 1fi8 s THR 224 CO 0.52 -0.36 1.14 -2.16 -0.54 0.00 0.00 174.62 173.22 1fi8 s PRO 225 N -3.70 1.32 0.26 3.99 0.04 -1.23 -4.39 135.00 131.28 1fi8 s PRO 225 Ca 0.32 0.28 0.05 0.00 0.04 0.00 0.00 61.00 61.69 1fi8 s PRO 225 Cb -0.06 -1.86 -0.06 0.00 0.04 0.00 0.00 34.50 32.56 1fi8 s PRO 225 CO 0.20 -2.07 -0.01 1.03 0.04 0.00 0.00 177.00 176.19 1fi8 s ARG 226 N -5.32 1.44 -0.14 4.56 0.52 -0.55 -4.73 118.95 114.74 1fi8 s ARG 226 Ca 0.63 -1.74 -0.06 0.00 -0.52 0.00 0.00 55.73 54.05 1fi8 s ARG 226 Cb -0.14 -0.82 -0.04 0.00 0.52 0.00 0.00 34.95 34.47 1fi8 s ARG 226 CO 0.53 -0.06 0.07 0.00 0.02 0.00 0.00 175.30 175.85 1fi8 s ALA 227 N -3.27 3.52 -0.06 2.13 0.00 0.12 -2.48 121.76 121.71 1fi8 s ALA 227 Ca 0.30 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.56 1fi8 s ALA 227 Cb 0.05 -1.82 0.01 0.00 0.00 0.00 0.00 23.12 21.36 1fi8 s ALA 227 CO 0.10 0.42 -0.15 -0.06 0.00 0.00 0.00 175.76 176.07 1fi8 s PHE 228 N -0.38 1.62 0.21 0.00 0.40 -0.52 -1.80 117.98 117.51 1fi8 s PHE 228 Ca 0.09 -0.55 -0.32 0.00 -0.60 0.00 0.00 56.93 55.56 1fi8 s PHE 228 Cb -0.12 -1.13 -0.14 0.00 0.51 0.00 0.00 43.02 42.14 1fi8 s PHE 228 CO 0.02 -0.24 1.44 2.41 0.70 0.00 0.00 175.22 179.55 1fi8 n THR 229 N 3.50 0.69 -2.75 0.64 -1.04 0.12 0.53 114.28 115.96 1fi8 n THR 229 Ca -0.20 -0.17 -0.42 0.00 -2.04 0.00 0.00 64.05 61.21 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 -0.06 3.42 0.22 -2.82 2.20 0.72 -1.54 119.74 121.88 1fi8 s LYS 230 Ca 0.71 -1.14 -0.13 0.00 -0.36 0.00 0.00 55.97 55.06 1fi8 s LYS 230 Cb -0.67 -4.78 0.26 0.00 -1.51 0.00 0.00 37.83 31.13 1fi8 s LYS 230 CO 0.47 -1.96 1.62 0.28 -0.36 0.00 0.00 175.35 175.40 1fi8 h VAL 231 N 6.18 0.34 -1.13 4.02 2.07 -1.62 -1.95 116.25 124.16 1fi8 h VAL 231 Ca 0.00 -0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.84 1fi8 h VAL 231 Cb 1.03 0.34 -0.11 0.00 -1.52 0.00 0.00 31.29 31.03 1fi8 h VAL 231 CO 1.24 0.00 0.72 0.77 0.02 0.00 0.00 177.57 180.32 1fi8 h SER 232 N 0.01 0.38 0.13 0.57 4.64 -1.88 0.19 113.55 117.60 1fi8 h SER 232 Ca 0.32 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1fi8 h SER 232 Cb 0.49 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1fi8 h SER 232 CO -0.68 -0.02 0.00 0.74 -0.87 0.00 0.00 176.83 176.01 1fi8 h THR 233 N 0.29 0.00 0.00 2.95 2.02 -1.70 -2.88 112.91 113.59 1fi8 h THR 233 Ca 0.68 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.80 1fi8 h THR 233 Cb 1.86 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 69.18 1fi8 h THR 233 CO -0.36 0.00 -0.01 0.49 0.37 0.00 0.00 175.52 176.01 1fi8 n PHE 234 N -2.81 0.00 -0.30 3.16 3.72 0.65 -4.82 117.46 117.06 1fi8 n PHE 234 Ca -0.02 -0.61 0.13 0.00 -0.05 0.00 0.00 57.45 56.90 1fi8 n PHE 234 Cb 0.09 -0.08 0.29 0.00 -0.94 0.00 0.00 39.48 38.85 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 0.09 -0.16 4.37 4.07 -1.46 -1.18 115.31 121.05 1fi8 h LEU 235 Ca 0.00 0.19 -0.09 0.00 0.08 0.00 0.00 57.88 58.06 1fi8 h LEU 235 Cb 0.66 0.23 -0.00 0.00 1.08 0.00 0.00 40.66 42.63 1fi8 h LEU 235 CO 0.00 -0.12 -0.25 0.28 -1.08 0.00 0.00 178.44 177.27 1fi8 h SER 236 N 0.25 0.50 -0.44 -0.43 0.02 -1.87 -2.28 113.55 109.29 1fi8 h SER 236 Ca 0.55 -0.53 0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1fi8 h SER 236 Cb 1.11 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 1fi8 h SER 236 CO -0.62 0.93 0.30 -0.25 -1.14 0.00 0.00 176.83 176.05 1fi8 h TRP 237 N 0.08 0.51 0.35 3.45 7.01 -1.76 0.23 115.95 125.81 1fi8 h TRP 237 Ca 0.01 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.01 1fi8 h TRP 237 Cb 0.83 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 27.72 1fi8 h TRP 237 CO 0.09 0.31 -0.17 0.82 -2.79 0.00 0.00 178.44 176.70 1fi8 h ILE 238 N 0.53 0.51 -0.43 2.65 2.04 -1.17 -1.59 117.51 120.06 1fi8 h ILE 238 Ca 0.17 -0.69 0.06 0.00 1.00 0.00 0.00 64.86 65.41 1fi8 h ILE 238 Cb 0.04 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 36.85 1fi8 h ILE 238 CO -0.04 0.10 0.11 0.11 0.00 0.00 0.00 178.15 178.43 1fi8 h LYS 239 N -0.92 0.25 -0.38 2.37 1.57 -1.12 -0.25 116.57 118.09 1fi8 h LYS 239 Ca -0.05 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1fi8 h LYS 239 Cb 0.53 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 1fi8 h LYS 239 CO 0.08 0.16 0.23 1.57 -0.57 0.00 0.00 179.45 180.92 1fi8 h LYS 240 N 0.25 0.45 -0.37 3.15 -0.00 -1.02 0.21 116.57 119.25 1fi8 h LYS 240 Ca 0.21 -0.03 -0.04 0.00 -0.00 0.00 0.00 60.65 60.79 1fi8 h LYS 240 Cb 0.24 -0.10 -0.02 0.00 -0.00 0.00 0.00 32.23 32.35 1fi8 h LYS 240 CO -0.25 0.30 0.06 1.15 -0.00 0.00 0.00 179.45 180.70 1fi8 h THR 241 N 0.46 1.18 0.00 0.07 2.02 -0.66 -2.38 112.91 113.61 1fi8 h THR 241 Ca 0.15 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.65 1fi8 h THR 241 Cb -0.01 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1fi8 h THR 241 CO -0.06 0.24 -0.40 0.24 0.37 0.00 0.00 175.52 175.91 1fi8 h MET 242 N 0.53 0.00 -6.17 6.66 2.86 -0.56 -3.45 114.93 114.81 1fi8 h MET 242 Ca 0.12 0.00 -0.63 0.00 -2.06 0.00 0.00 59.70 57.13 1fi8 h MET 242 Cb 0.26 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.92 1fi8 h MET 242 CO 0.00 0.00 1.22 1.63 1.06 0.00 0.00 176.91 180.83 1fi8 n LYS 243 N -2.63 1.90 0.00 1.72 5.02 0.70 -5.08 118.16 119.79 1fi8 n LYS 243 Ca 0.03 0.65 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 1fi8 n LYS 243 Cb 0.50 -2.69 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