#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fq3 s ILE 17 N 0.00 3.67 0.00 1.39 1.01 -1.09 -3.43 121.20 122.75 1fq3 s ILE 17 Ca 0.00 1.28 0.00 0.00 0.00 0.00 0.00 60.65 61.93 1fq3 s ILE 17 Cb 0.00 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.65 1fq3 s ILE 17 CO 0.00 0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.69 1fq3 n GLY 18 N 2.87 0.74 0.00 6.18 0.00 -1.20 -2.46 105.19 111.31 1fq3 n GLY 18 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1fq3 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fq3 n GLY 19 N -2.46 2.64 3.16 -0.02 0.00 -1.22 -4.77 105.19 102.51 1fq3 n GLY 19 Ca 0.00 -2.10 -0.10 0.00 0.00 0.00 0.00 46.02 43.82 1fq3 n GLY 19 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1fq3 s HIS 20 N 1.08 0.84 0.42 1.61 -3.43 -1.13 -4.98 115.29 109.71 1fq3 s HIS 20 Ca 0.00 -1.04 -0.24 0.00 -0.80 0.00 0.00 55.06 52.98 1fq3 s HIS 20 Cb 0.00 -0.51 -0.11 0.00 -1.43 0.00 0.00 32.58 30.53 1fq3 s HIS 20 CO 0.00 -0.30 0.88 -1.91 -2.00 0.00 0.00 174.74 171.41 1fq3 n GLU 21 N -0.05 1.10 -3.36 -0.38 2.13 -1.26 -2.20 120.64 116.62 1fq3 n GLU 21 Ca -0.10 0.40 -0.33 0.00 0.66 0.00 0.00 57.16 57.79 1fq3 n GLU 21 Cb 0.62 -1.88 -0.06 0.00 0.27 0.00 0.00 31.44 30.39 1fq3 n GLU 21 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1fq3 s ALA 22 N -1.32 3.53 0.16 4.31 0.00 -1.26 -4.72 121.76 122.46 1fq3 s ALA 22 Ca 0.64 -0.20 -0.30 0.00 0.00 0.00 0.00 51.96 52.10 1fq3 s ALA 22 Cb -0.58 -2.50 -0.08 0.00 0.00 0.00 0.00 23.12 19.96 1fq3 s ALA 22 CO 0.57 0.47 1.31 0.21 0.00 0.00 0.00 175.76 178.32 1fq3 s LYS 23 N -2.65 4.38 0.32 0.00 2.47 -1.26 -4.88 119.74 118.12 1fq3 s LYS 23 Ca 0.46 2.02 -0.24 0.00 -1.56 0.00 0.00 55.97 56.64 1fq3 s LYS 23 Cb -0.12 -3.23 -0.16 0.00 -1.46 0.00 0.00 37.83 32.86 1fq3 s LYS 23 CO 0.20 -0.29 0.35 -2.30 0.16 0.00 0.00 175.35 173.47 1fq3 n PRO 24 N 3.12 0.12 -4.05 4.03 -0.02 -1.26 -1.85 135.00 135.09 1fq3 n PRO 24 Ca 0.08 0.04 -0.27 0.00 -2.02 0.00 0.00 63.50 61.33 1fq3 n PRO 24 Cb 0.43 -1.09 -0.08 0.00 -0.02 0.00 0.00 33.50 32.74 1fq3 n PRO 24 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1fq3 n HIS 25 N -0.54 -1.08 0.21 6.00 8.25 -1.26 -4.79 115.22 122.01 1fq3 n HIS 25 Ca 0.14 0.51 0.06 0.00 -0.26 0.00 0.00 57.72 58.17 1fq3 n HIS 25 Cb 0.34 -2.39 -0.08 0.00 1.12 0.00 0.00 29.99 28.98 1fq3 n HIS 25 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1fq3 n SER 26 N -2.41 1.63 -3.48 0.41 3.41 -0.77 -4.70 113.62 107.72 1fq3 n SER 26 Ca -0.28 -0.31 -0.27 0.00 -0.26 0.00 0.00 58.87 57.76 1fq3 n SER 26 Cb 0.60 1.31 -0.10 0.00 -0.26 0.00 0.00 64.21 65.76 1fq3 n SER 26 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1fq3 n ARG 27 N -1.64 1.00 0.26 4.33 3.00 -1.26 -4.99 116.66 117.36 1fq3 n ARG 27 Ca -0.00 -3.70 0.11 0.00 -0.01 0.00 0.00 57.85 54.25 1fq3 n ARG 27 Cb 0.25 -1.80 0.75 0.00 0.00 0.00 0.00 32.46 31.66 1fq3 n ARG 27 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1fq3 h PRO 28 N 5.03 0.00 0.00 5.56 0.13 -1.84 -2.37 132.00 138.52 1fq3 h PRO 28 Ca 0.19 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.23 1fq3 h PRO 28 Cb 0.83 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 1fq3 h PRO 28 CO 0.53 0.00 -0.41 0.10 -0.23 0.00 0.00 178.00 177.99 1fq3 h TYR 29 N 0.00 0.00 -1.88 1.56 -0.00 -1.79 -3.21 116.97 111.65 1fq3 h TYR 29 Ca 0.01 0.00 -0.65 0.00 0.00 0.00 0.00 58.73 58.09 1fq3 h TYR 29 Cb 0.05 0.00 0.04 0.00 0.00 0.00 0.00 36.73 36.83 1fq3 h TYR 29 CO 0.00 0.41 0.72 -1.33 -0.00 0.00 0.00 178.16 177.97 1fq3 n MET 30 N -3.74 1.58 -4.63 0.10 2.81 -0.89 -1.96 117.12 110.40 1fq3 n MET 30 Ca -0.01 0.57 -0.22 0.00 -1.81 0.00 0.00 57.70 56.23 1fq3 n MET 30 Cb 0.49 -2.29 -0.15 0.00 -0.71 0.00 0.00 33.22 30.56 1fq3 n MET 30 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1fq3 s ALA 31 N 1.65 1.18 -0.05 3.04 0.00 0.58 -3.80 121.76 124.37 1fq3 s ALA 31 Ca 0.86 -0.63 -0.05 0.00 0.00 0.00 0.00 51.96 52.14 1fq3 s ALA 31 Cb -0.86 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 1fq3 s ALA 31 CO 0.48 0.28 0.18 -0.47 0.00 0.00 0.00 175.76 176.23 1fq3 s TYR 32 N -0.38 3.58 -0.02 0.00 5.04 -0.40 -2.56 117.35 122.60 1fq3 s TYR 32 Ca 0.05 0.46 0.05 0.00 -2.44 0.00 0.00 57.07 55.19 1fq3 s TYR 32 Cb -0.06 -1.90 -0.01 0.00 0.35 0.00 0.00 41.96 40.35 1fq3 s TYR 32 CO -0.00 0.68 -0.16 -0.51 -1.34 0.00 0.00 175.55 174.22 1fq3 s LEU 33 N -1.55 2.01 -0.31 6.97 1.43 -0.79 -1.91 118.68 124.55 1fq3 s LEU 33 Ca 0.22 -0.30 0.03 0.00 -1.03 0.00 0.00 54.13 53.05 1fq3 s LEU 33 Cb -0.12 -0.84 0.09 0.00 0.03 0.00 0.00 46.19 45.34 1fq3 s LEU 33 CO 0.12 0.19 0.01 -0.04 0.23 0.00 0.00 176.35 176.87 1fq3 s MET 34 N -0.33 1.53 0.08 1.70 -1.94 -0.94 -2.74 119.30 116.67 1fq3 s MET 34 Ca 0.05 -1.54 0.08 0.00 -1.71 0.00 0.00 55.69 52.57 1fq3 s MET 34 Cb -0.07 -2.89 -0.04 0.00 2.01 0.00 0.00 34.83 33.85 1fq3 s MET 34 CO -0.00 -0.83 -0.19 0.96 -0.01 0.00 0.00 175.02 174.95 1fq3 s ILE 35 N 1.11 2.75 -0.56 2.53 -4.36 -0.50 -2.04 121.20 120.13 1fq3 s ILE 35 Ca 0.05 -1.38 0.04 0.00 -0.26 0.00 0.00 60.65 59.09 1fq3 s ILE 35 Cb -0.19 -2.21 0.14 0.00 1.25 0.00 0.00 42.46 41.46 1fq3 s ILE 35 CO -0.10 0.21 0.33 0.86 0.24 0.00 0.00 174.94 176.49 1fq3 s TRP 36 N -1.03 3.02 -1.18 1.37 -0.00 0.11 -1.09 118.94 120.14 1fq3 s TRP 36 Ca 0.16 -3.07 -0.16 0.00 -0.00 0.00 0.00 56.10 53.02 1fq3 s TRP 36 Cb -0.10 -2.56 0.12 0.00 -0.00 0.00 0.00 33.47 30.93 1fq3 s TRP 36 CO 0.07 -0.69 1.49 0.34 -0.00 0.00 0.00 176.95 178.16 1fq3 s ASP 37 N -0.54 6.90 0.21 5.86 -1.08 -0.86 -2.17 116.67 125.00 1fq3 s ASP 37 Ca 0.20 -2.57 0.00 0.00 -0.52 0.00 0.00 52.55 49.66 1fq3 s ASP 37 Cb -0.18 -2.47 0.00 0.00 -1.46 0.00 0.00 42.92 38.81 1fq3 s ASP 37 CO -0.06 -0.98 0.00 0.00 0.52 0.00 0.00 175.17 174.65 1fq3 n GLN 37 N 6.88 -2.53 -3.35 4.34 3.00 -1.26 -4.31 117.38 120.14 1fq3 n GLN 37 Ca 0.38 1.84 -0.03 0.00 -0.01 0.00 0.00 57.00 59.19 1fq3 n GLN 37 Cb 0.45 -2.31 -0.00 0.00 0.00 0.00 0.00 30.24 28.38 1fq3 n GLN 37 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1fq3 n LYS 37 N 0.13 -1.00 0.00 -1.09 3.00 -1.26 -4.75 118.16 113.19 1fq3 n LYS 37 Ca 0.00 -0.31 0.00 0.00 -0.00 0.00 0.00 58.31 58.00 1fq3 n LYS 37 Cb 0.00 0.34 0.00 0.00 0.00 0.00 0.00 35.03 35.37 1fq3 n LYS 37 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1fq3 n SER 38 N 0.46 0.00 -4.56 3.14 7.64 -1.26 -5.17 113.62 113.87 1fq3 n SER 38 Ca -0.01 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.59 1fq3 n SER 38 Cb 0.05 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.15 1fq3 n SER 38 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1fq3 s LEU 39 N 0.00 2.96 0.05 -3.43 2.34 -1.26 -2.02 118.68 117.31 1fq3 s LEU 39 Ca 0.00 -0.53 -0.12 0.00 0.06 0.00 0.00 54.13 53.54 1fq3 s LEU 39 Cb 0.00 -1.69 0.01 0.00 -0.56 0.00 0.00 46.19 43.96 1fq3 s LEU 39 CO 0.00 0.13 0.27 -0.75 -1.06 0.00 0.00 176.35 174.94 1fq3 s LYS 40 N -2.61 0.79 0.36 1.48 2.20 -0.25 -4.99 119.74 116.72 1fq3 s LYS 40 Ca 0.23 -0.58 0.08 0.00 -0.36 0.00 0.00 55.97 55.34 1fq3 s LYS 40 Cb -0.10 0.34 -0.03 0.00 -1.51 0.00 0.00 37.83 36.54 1fq3 s LYS 40 CO 0.14 -0.25 0.31 -0.98 -0.36 0.00 0.00 175.35 174.21 1fq3 s ARG 41 N -2.69 2.66 0.29 4.03 1.70 -1.26 -1.41 118.95 122.27 1fq3 s ARG 41 Ca -0.04 -1.37 -0.20 0.00 -0.47 0.00 0.00 55.73 53.66 1fq3 s ARG 41 Cb -0.00 -2.44 0.05 0.00 -0.57 0.00 0.00 34.95 31.98 1fq3 s ARG 41 CO -0.04 0.02 0.83 0.00 -1.08 0.00 0.00 175.30 175.02 1fq3 s GLY 43 N -3.05 2.08 -0.25 0.00 0.00 -0.64 -1.88 107.32 103.57 1fq3 s GLY 43 Ca 0.15 -1.91 -0.35 0.00 0.00 0.00 0.00 44.72 42.61 1fq3 s GLY 43 CO 0.08 -1.77 1.31 -0.32 0.00 0.00 0.00 173.10 172.39 1fq3 s GLY 44 N -3.93 -0.16 -0.03 0.20 0.00 -1.06 -3.21 107.32 99.13 1fq3 s GLY 44 Ca 0.41 2.04 0.05 0.00 0.00 0.00 0.00 44.72 47.22 1fq3 s GLY 44 CO 0.24 0.73 -0.18 -0.11 0.00 0.00 0.00 173.10 173.78 1fq3 s PHE 45 N -1.89 1.69 -0.30 1.90 -0.71 -0.88 -0.31 117.98 117.49 1fq3 s PHE 45 Ca 0.10 -0.39 -0.29 0.00 -1.04 0.00 0.00 56.93 55.31 1fq3 s PHE 45 Cb -0.01 -1.11 -0.00 0.00 -1.21 0.00 0.00 43.02 40.69 1fq3 s PHE 45 CO -0.04 -0.08 1.38 -1.17 -1.34 0.00 0.00 175.22 173.97 1fq3 s LEU 46 N -0.25 3.84 0.00 -1.99 0.20 -0.83 -1.44 118.68 118.22 1fq3 s LEU 46 Ca 0.03 1.24 0.22 0.00 0.69 0.00 0.00 54.13 56.30 1fq3 s LEU 46 Cb -0.09 -3.54 -0.10 0.00 -0.43 0.00 0.00 46.19 42.03 1fq3 s LEU 46 CO 0.00 -1.17 1.01 2.30 -0.29 0.00 0.00 176.35 178.20 1fq3 n ILE 47 N 6.38 0.00 -3.65 6.68 -5.35 -0.99 -1.14 119.36 121.28 1fq3 n ILE 47 Ca 0.16 -0.13 -0.03 0.00 -0.27 0.00 0.00 62.75 62.47 1fq3 n ILE 47 Cb 0.46 1.12 -0.07 0.00 -1.74 0.00 0.00 39.64 39.42 1fq3 n ILE 47 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1fq3 s GLN 48 N -2.73 0.13 0.07 6.28 -0.44 -1.06 -4.64 119.66 117.27 1fq3 s GLN 48 Ca 0.14 0.17 0.03 0.00 -2.50 0.00 0.00 55.36 53.19 1fq3 s GLN 48 Cb 0.17 0.06 0.23 0.00 -1.64 0.00 0.00 33.01 31.83 1fq3 s GLN 48 CO 0.71 -0.02 0.30 -0.25 0.50 0.00 0.00 175.29 176.53 1fq3 n ASP 49 N 1.93 0.04 -0.06 6.67 9.92 -1.26 0.43 116.55 134.22 1fq3 n ASP 49 Ca -0.12 0.31 -0.09 0.00 -0.53 0.00 0.00 54.79 54.37 1fq3 n ASP 49 Cb 0.57 -0.14 -0.15 0.00 -0.64 0.00 0.00 41.12 40.75 1fq3 n ASP 49 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1fq3 n ASP 50 N -3.57 0.38 -4.47 -2.24 2.03 -1.26 -1.49 116.55 105.94 1fq3 n ASP 50 Ca 0.06 0.18 -0.27 0.00 0.52 0.00 0.00 54.79 55.29 1fq3 n ASP 50 Cb 0.22 0.55 -0.11 0.00 -0.72 0.00 0.00 41.12 41.05 1fq3 n ASP 50 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1fq3 s PHE 51 N -2.55 2.42 -0.22 -0.67 0.40 0.17 0.28 117.98 117.80 1fq3 s PHE 51 Ca -0.08 -0.31 -0.04 0.00 -0.60 0.00 0.00 56.93 55.91 1fq3 s PHE 51 Cb 0.07 -1.20 0.07 0.00 0.51 0.00 0.00 43.02 42.47 1fq3 s PHE 51 CO 0.83 0.49 0.08 0.14 0.70 0.00 0.00 175.22 177.46 1fq3 s VAL 52 N -1.62 0.24 0.38 -0.44 -7.23 -0.84 -2.36 120.40 108.52 1fq3 s VAL 52 Ca 0.21 -0.57 -0.26 0.00 -1.81 0.00 0.00 61.98 59.56 1fq3 s VAL 52 Cb -0.08 -0.94 -0.12 0.00 0.56 0.00 0.00 36.38 35.79 1fq3 s VAL 52 CO 0.11 -0.40 1.05 -0.11 -0.31 0.00 0.00 175.10 175.44 1fq3 n LEU 53 N 5.14 2.53 -3.88 1.32 -0.00 -0.52 -3.40 117.00 118.19 1fq3 n LEU 53 Ca -0.07 1.10 -0.04 0.00 -0.00 0.00 0.00 56.01 57.00 1fq3 n LEU 53 Cb 0.46 -1.36 0.02 0.00 -0.00 0.00 0.00 43.42 42.55 1fq3 n LEU 53 CO 0.10 -1.32 0.77 0.28 -0.00 0.00 0.00 177.39 177.23 1fq3 s THR 54 N -1.20 0.00 -0.10 1.96 -1.32 -1.24 -2.08 115.64 111.67 1fq3 s THR 54 Ca 0.61 -0.65 -0.23 0.00 -1.21 0.00 0.00 61.69 60.21 1fq3 s THR 54 Cb -0.59 -2.93 -0.03 0.00 -1.51 0.00 0.00 72.50 67.44 1fq3 s THR 54 CO 0.58 0.00 0.70 0.00 -2.21 0.00 0.00 174.62 173.70 1fq3 s ALA 55 N -2.14 3.39 0.26 11.08 0.00 -1.26 0.14 121.76 133.22 1fq3 s ALA 55 Ca 0.21 0.07 -0.02 0.00 0.00 0.00 0.00 51.96 52.22 1fq3 s ALA 55 Cb -0.03 -2.99 0.52 0.00 0.00 0.00 0.00 23.12 20.63 1fq3 s ALA 55 CO 0.06 -0.23 1.74 0.00 0.00 0.00 0.00 175.76 177.34 1fq3 h ALA 56 N 6.92 1.20 0.00 0.00 0.00 -1.74 0.98 119.26 126.62 1fq3 h ALA 56 Ca -0.38 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1fq3 h ALA 56 Cb 1.18 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1fq3 h ALA 56 CO 0.77 -0.17 0.00 -2.39 0.00 0.00 0.00 179.25 177.45 1fq3 n HIS 57 N -4.95 0.00 -0.32 0.00 1.44 -1.26 -1.07 115.22 109.06 1fq3 n HIS 57 Ca 0.16 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.95 1fq3 n HIS 57 Cb 0.45 -0.00 0.22 0.00 0.12 0.00 0.00 29.99 30.79 1fq3 n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1fq3 s TRP 59 N -1.19 2.11 0.00 0.00 -2.14 -0.23 -4.85 118.94 112.63 1fq3 s TRP 59 Ca 0.34 0.55 0.00 0.00 2.66 0.00 0.00 56.10 59.65 1fq3 s TRP 59 Cb 0.19 -3.76 0.00 0.00 -3.10 0.00 0.00 33.47 26.80 1fq3 s TRP 59 CO 0.21 -2.40 0.00 0.41 -2.66 0.00 0.00 176.95 172.50 1fq3 n GLY 60 N -3.19 -0.16 0.35 3.67 0.00 -1.26 -4.47 105.19 100.14 1fq3 n GLY 60 Ca 0.11 -0.99 -0.04 0.00 0.00 0.00 0.00 46.02 45.10 1fq3 n GLY 60 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1fq3 h SER 61 N 0.00 1.11 -3.18 1.61 0.02 -1.79 -3.42 113.55 107.90 1fq3 h SER 61 Ca 0.00 -0.11 -0.59 0.00 -0.84 0.00 0.00 61.79 60.24 1fq3 h SER 61 Cb 0.00 -0.28 -0.35 0.00 0.14 0.00 0.00 62.40 61.90 1fq3 h SER 61 CO 0.00 0.91 -0.83 -0.55 -1.14 0.00 0.00 176.83 175.21 1fq3 s SER 63 N -6.28 2.58 -0.11 3.07 0.15 -1.22 -4.96 113.70 106.93 1fq3 s SER 63 Ca -0.12 -0.46 -0.00 0.00 0.70 0.00 0.00 55.95 56.07 1fq3 s SER 63 Cb 0.17 -1.13 0.02 0.00 -1.71 0.00 0.00 66.02 63.37 1fq3 s SER 63 CO 0.83 -0.03 -0.07 -0.63 1.20 0.00 0.00 173.24 174.54 1fq3 s ILE 64 N 1.30 0.98 -0.02 6.45 1.01 -1.26 0.10 121.20 129.75 1fq3 s ILE 64 Ca 0.00 -0.27 0.06 0.00 0.00 0.00 0.00 60.65 60.44 1fq3 s ILE 64 Cb -0.14 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.32 1fq3 s ILE 64 CO -0.07 0.36 -0.19 0.20 0.00 0.00 0.00 174.94 175.23 1fq3 s ASN 65 N 1.64 2.31 0.13 3.58 0.01 -0.86 -0.48 114.94 121.27 1fq3 s ASN 65 Ca 0.03 -0.36 0.09 0.00 -0.71 0.00 0.00 52.86 51.91 1fq3 s ASN 65 Cb -0.13 -0.38 -0.04 0.00 0.41 0.00 0.00 41.25 41.11 1fq3 s ASN 65 CO -0.07 0.22 -0.15 0.68 -1.51 0.00 0.00 177.10 176.27 1fq3 s VAL 66 N -0.32 2.98 -0.22 1.60 -7.23 -0.67 -2.20 120.40 114.33 1fq3 s VAL 66 Ca 0.04 -1.52 0.01 0.00 -1.81 0.00 0.00 61.98 58.70 1fq3 s VAL 66 Cb -0.09 -2.40 0.05 0.00 0.56 0.00 0.00 36.38 34.51 1fq3 s VAL 66 CO 0.00 0.05 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.87 1fq3 s THR 67 N -1.30 1.62 0.19 5.32 2.01 -0.80 -1.80 115.64 120.88 1fq3 s THR 67 Ca 0.20 -1.19 0.05 0.00 0.31 0.00 0.00 61.69 61.07 1fq3 s THR 67 Cb -0.10 -1.81 -0.04 0.00 0.01 0.00 0.00 72.50 70.56 1fq3 s THR 67 CO 0.12 -0.01 0.20 -0.76 -0.69 0.00 0.00 174.62 173.48 1fq3 s LEU 68 N 1.37 3.95 -1.21 4.42 1.43 -0.60 -1.28 118.68 126.76 1fq3 s LEU 68 Ca -0.05 -0.09 -0.03 0.00 -1.03 0.00 0.00 54.13 52.93 1fq3 s LEU 68 Cb -0.18 -2.53 0.00 0.00 0.03 0.00 0.00 46.19 43.51 1fq3 s LEU 68 CO -0.07 0.03 1.03 0.61 0.23 0.00 0.00 176.35 178.18 1fq3 n GLY 69 N -0.70 -0.39 3.40 -3.19 0.00 -1.25 -1.62 105.19 101.44 1fq3 n GLY 69 Ca -0.08 0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 1fq3 n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fq3 s ALA 70 N -3.33 2.39 0.01 4.61 0.00 -1.26 -2.55 121.76 121.62 1fq3 s ALA 70 Ca 0.21 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.58 1fq3 s ALA 70 Cb -0.09 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.73 1fq3 s ALA 70 CO 0.70 0.38 0.00 1.58 0.00 0.00 0.00 175.76 178.42 1fq3 n HIS 71 N 0.30 -0.00 -3.78 0.00 -0.00 -1.26 -4.88 115.22 105.60 1fq3 n HIS 71 Ca -0.13 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.74 1fq3 n HIS 71 Cb 0.56 0.01 -0.10 0.00 -0.12 0.00 0.00 29.99 30.34 1fq3 n HIS 71 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 1fq3 n ASN 72 N -3.04 3.51 0.00 0.26 5.15 -1.25 -1.52 115.26 118.36 1fq3 n ASN 72 Ca 0.00 -3.20 0.00 0.00 -0.60 0.00 0.00 54.58 50.78 1fq3 n ASN 72 Cb 0.45 -0.86 0.00 0.00 -0.53 0.00 0.00 39.78 38.83 1fq3 n ASN 72 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1fq3 n ILE 73 N 2.01 0.00 -1.22 -1.44 -0.00 -1.02 -0.15 119.36 117.54 1fq3 n ILE 73 Ca 0.21 0.00 0.04 0.00 -0.00 0.00 0.00 62.75 63.00 1fq3 n ILE 73 Cb 0.36 -0.72 0.21 0.00 -0.00 0.00 0.00 39.64 39.49 1fq3 n ILE 73 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 1fq3 n LYS 74 N -0.55 2.13 -3.66 6.28 4.01 -1.26 -4.94 118.16 120.16 1fq3 n LYS 74 Ca 0.00 -2.96 -0.08 0.00 -0.51 0.00 0.00 58.31 54.77 1fq3 n LYS 74 Cb 0.00 -1.76 -0.09 0.00 -0.51 0.00 0.00 35.03 32.67 1fq3 n LYS 74 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1fq3 s GLU 75 N -3.02 0.39 -0.88 1.97 0.41 0.78 -5.10 118.70 113.26 1fq3 s GLU 75 Ca 0.41 1.06 -0.23 0.00 -0.41 0.00 0.00 54.97 55.80 1fq3 s GLU 75 Cb 0.36 0.33 -0.22 0.00 -1.78 0.00 0.00 34.13 32.82 1fq3 s GLU 75 CO 0.03 -0.22 2.44 1.04 -0.49 0.00 0.00 175.26 178.06 1fq3 n GLN 76 N 5.12 0.27 -4.15 1.61 6.02 -1.26 -4.82 117.38 120.17 1fq3 n GLN 76 Ca -0.12 -0.13 -0.34 0.00 -0.01 0.00 0.00 57.00 56.39 1fq3 n GLN 76 Cb 0.51 -2.03 -0.10 0.00 1.02 0.00 0.00 30.24 29.64 1fq3 n GLN 76 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1fq3 s GLU 77 N 8.25 3.73 0.54 -1.09 2.02 -1.26 -5.01 118.70 125.88 1fq3 s GLU 77 Ca 1.22 -0.38 0.33 0.00 0.02 0.00 0.00 54.97 56.15 1fq3 s GLU 77 Cb -0.77 -3.08 1.46 0.00 0.10 0.00 0.00 34.13 31.84 1fq3 s GLU 77 CO 0.41 0.36 2.03 -1.35 0.02 0.00 0.00 175.26 176.73 1fq3 h PRO 78 N 6.35 0.00 0.00 0.39 0.11 -1.93 -2.63 132.00 134.29 1fq3 h PRO 78 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1fq3 h PRO 78 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1fq3 h PRO 78 CO 0.66 0.06 0.00 1.79 -0.21 0.00 0.00 178.00 180.30 1fq3 h THR 79 N 0.00 0.00 -4.10 -1.15 1.35 -1.94 -3.45 112.91 103.62 1fq3 h THR 79 Ca -0.00 -0.57 -0.51 0.00 -0.55 0.00 0.00 66.41 64.78 1fq3 h THR 79 Cb 0.45 1.51 0.09 0.00 -1.73 0.00 0.00 68.15 68.47 1fq3 h THR 79 CO 0.01 0.00 0.45 -1.10 -0.25 0.00 0.00 175.52 174.62 1fq3 s GLN 80 N -3.38 3.13 -0.02 4.72 -0.21 -0.99 -4.52 119.66 118.39 1fq3 s GLN 80 Ca 0.05 1.70 0.01 0.00 0.02 0.00 0.00 55.36 57.14 1fq3 s GLN 80 Cb 0.09 -1.97 0.01 0.00 1.00 0.00 0.00 33.01 32.14 1fq3 s GLN 80 CO 0.55 -1.04 -0.05 -0.65 -2.12 0.00 0.00 175.29 171.98 1fq3 s GLN 81 N -3.36 0.63 -0.30 2.91 -0.21 -0.64 -4.96 119.66 113.72 1fq3 s GLN 81 Ca 0.75 -0.14 -0.00 0.00 0.02 0.00 0.00 55.36 55.98 1fq3 s GLN 81 Cb -0.27 -0.64 0.06 0.00 1.00 0.00 0.00 33.01 33.16 1fq3 s GLN 81 CO 0.31 0.01 -0.00 0.12 -2.12 0.00 0.00 175.29 173.61 1fq3 s PHE 82 N 0.43 3.33 -0.09 0.91 2.19 -1.26 -1.56 117.98 121.92 1fq3 s PHE 82 Ca -0.05 -2.09 0.02 0.00 0.33 0.00 0.00 56.93 55.14 1fq3 s PHE 82 Cb -0.09 -2.22 0.01 0.00 -1.31 0.00 0.00 43.02 39.41 1fq3 s PHE 82 CO -0.00 -0.84 -0.15 0.42 1.83 0.00 0.00 175.22 176.48 1fq3 s ILE 83 N 1.19 1.38 0.11 3.12 1.01 -0.74 -5.00 121.20 122.27 1fq3 s ILE 83 Ca -0.04 -0.60 -0.27 0.00 0.00 0.00 0.00 60.65 59.75 1fq3 s ILE 83 Cb -0.20 -1.26 -0.06 0.00 0.01 0.00 0.00 42.46 40.95 1fq3 s ILE 83 CO -0.03 0.41 0.84 -2.16 0.00 0.00 0.00 174.94 174.01 1fq3 s PRO 84 N 0.82 4.61 0.04 2.79 0.04 -1.26 -1.67 135.00 140.36 1fq3 s PRO 84 Ca -0.11 1.24 -0.30 0.00 0.04 0.00 0.00 61.00 61.87 1fq3 s PRO 84 Cb -0.16 -3.33 -0.09 0.00 0.04 0.00 0.00 34.50 30.97 1fq3 s PRO 84 CO 0.02 0.36 1.86 0.08 0.04 0.00 0.00 177.00 179.35 1fq3 s VAL 85 N -0.41 3.03 -0.13 -0.36 1.01 0.37 -1.49 120.40 122.43 1fq3 s VAL 85 Ca 0.40 0.19 -0.18 0.00 0.00 0.00 0.00 61.98 62.39 1fq3 s VAL 85 Cb -0.22 -3.12 -0.25 0.00 0.00 0.00 0.00 36.38 32.78 1fq3 s VAL 85 CO 0.27 -0.01 0.51 0.50 0.00 0.00 0.00 175.10 176.36 1fq3 h LYS 86 N 9.84 0.17 -4.06 2.72 3.64 -1.48 -3.44 116.57 123.96 1fq3 h LYS 86 Ca -0.47 -0.29 -0.55 0.00 -1.27 0.00 0.00 60.65 58.08 1fq3 h LYS 86 Cb 1.22 0.11 -0.38 0.00 -0.41 0.00 0.00 32.23 32.77 1fq3 h LYS 86 CO 0.94 1.14 -0.79 1.03 -2.27 0.00 0.00 179.45 179.51 1fq3 s ARG 87 N -2.43 1.28 -0.55 1.90 0.52 -1.23 -5.01 118.95 113.43 1fq3 s ARG 87 Ca -0.22 -0.50 -0.20 0.00 -0.52 0.00 0.00 55.73 54.29 1fq3 s ARG 87 Cb 0.04 -2.01 0.07 0.00 0.52 0.00 0.00 34.95 33.57 1fq3 s ARG 87 CO 0.72 -0.47 0.70 -1.25 0.02 0.00 0.00 175.30 175.03 1fq3 s PRO 88 N 1.67 3.12 -0.94 3.54 0.04 -1.26 -1.78 135.00 139.38 1fq3 s PRO 88 Ca 0.00 -0.96 -0.10 0.00 0.04 0.00 0.00 61.00 59.98 1fq3 s PRO 88 Cb -0.16 -4.15 0.24 0.00 0.04 0.00 0.00 34.50 30.47 1fq3 s PRO 88 CO -0.07 -1.39 0.89 0.42 0.04 0.00 0.00 177.00 176.89 1fq3 s ILE 89 N 2.88 5.56 1.15 0.56 1.09 -0.85 -4.98 121.20 126.62 1fq3 s ILE 89 Ca 0.16 -3.02 -0.19 0.00 -1.10 0.00 0.00 60.65 56.50 1fq3 s ILE 89 Cb -0.20 -4.40 0.27 0.00 -1.06 0.00 0.00 42.46 37.07 1fq3 s ILE 89 CO 0.11 -1.09 1.17 -2.16 -0.10 0.00 0.00 174.94 172.86 1fq3 s PRO 90 N -0.58 -0.85 -0.03 2.79 0.04 -1.26 -2.29 135.00 132.81 1fq3 s PRO 90 Ca 0.24 -0.19 -0.19 0.00 0.04 0.00 0.00 61.00 60.90 1fq3 s PRO 90 Cb -0.10 -1.65 -0.05 0.00 0.04 0.00 0.00 34.50 32.73 1fq3 s PRO 90 CO -0.08 -3.44 0.55 -1.58 0.04 0.00 0.00 177.00 172.48 1fq3 s HIS 91 N -3.23 3.64 0.22 0.56 2.46 -0.60 -4.86 115.29 113.49 1fq3 s HIS 91 Ca 0.72 1.10 -0.15 0.00 0.47 0.00 0.00 55.06 57.20 1fq3 s HIS 91 Cb -0.08 -2.56 0.26 0.00 -0.13 0.00 0.00 32.58 30.07 1fq3 s HIS 91 CO 0.55 0.33 1.58 -1.00 -2.47 0.00 0.00 174.74 173.74 1fq3 h PRO 92 N 5.82 -0.05 -0.00 2.88 0.13 -1.93 -0.59 132.00 138.26 1fq3 h PRO 92 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1fq3 h PRO 92 Cb 1.20 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1fq3 h PRO 92 CO 0.70 -0.03 -0.00 0.00 -0.23 0.00 0.00 178.00 178.44 1fq3 n ALA 93 N -3.30 2.56 -1.62 -0.56 0.00 -1.26 -4.84 120.51 111.48 1fq3 n ALA 93 Ca 0.09 -0.16 -0.51 0.00 0.00 0.00 0.00 53.44 52.85 1fq3 n ALA 93 Cb 0.39 -1.50 -0.06 0.00 0.00 0.00 0.00 19.45 18.29 1fq3 n ALA 93 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1fq3 n TYR 94 N -1.18 2.05 -4.06 0.00 9.36 -0.23 -4.78 117.16 118.31 1fq3 n TYR 94 Ca 0.17 0.21 -0.32 0.00 3.32 0.00 0.00 57.90 61.29 1fq3 n TYR 94 Cb 0.20 -2.58 -0.15 0.00 -0.63 0.00 0.00 39.34 36.18 1fq3 n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1fq3 s ASN 95 N 5.00 4.34 0.97 2.98 3.84 -1.04 -5.01 114.94 126.02 1fq3 s ASN 95 Ca 0.99 -1.35 -0.14 0.00 0.21 0.00 0.00 52.86 52.57 1fq3 s ASN 95 Cb -0.83 -1.51 0.02 0.00 -0.55 0.00 0.00 41.25 38.38 1fq3 s ASN 95 CO 0.54 -0.19 0.21 -2.65 -2.79 0.00 0.00 177.10 172.22 1fq3 n PRO 96 N 4.46 -0.36 0.00 0.43 -0.02 -1.26 -1.85 135.00 136.40 1fq3 n PRO 96 Ca -0.14 -0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 1fq3 n PRO 96 Cb 0.42 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 1fq3 n PRO 96 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1fq3 n LYS 97 N -1.18 0.00 0.00 -0.52 4.76 -1.26 -4.27 118.16 115.69 1fq3 n LYS 97 Ca 0.05 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.60 1fq3 n LYS 97 Cb 0.55 -0.10 -0.04 0.00 -1.84 0.00 0.00 35.03 33.59 1fq3 n LYS 97 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1fq3 n ASN 98 N 1.59 1.17 -1.56 4.39 4.05 -1.05 -4.94 115.26 118.91 1fq3 n ASN 98 Ca 0.00 -1.03 -0.01 0.00 0.45 0.00 0.00 54.58 53.99 1fq3 n ASN 98 Cb 0.00 0.78 -0.00 0.00 1.23 0.00 0.00 39.78 41.79 1fq3 n ASN 98 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 1fq3 n PHE 99 N -1.16 -1.30 -2.94 1.20 0.99 -0.77 -4.83 117.46 108.65 1fq3 n PHE 99 Ca 0.06 0.00 -0.34 0.00 -0.00 0.00 0.00 57.45 57.16 1fq3 n PHE 99 Cb 0.36 -1.15 -0.06 0.00 -1.00 0.00 0.00 39.48 37.62 1fq3 n PHE 99 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 1fq3 s SER 100 N -1.42 7.01 -1.78 4.37 0.01 -1.24 -3.35 113.70 117.30 1fq3 s SER 100 Ca 0.00 1.57 -0.00 0.00 1.31 0.00 0.00 55.95 58.83 1fq3 s SER 100 Cb 0.00 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.75 1fq3 s SER 100 CO 0.00 -0.18 0.00 0.59 0.41 0.00 0.00 173.24 174.07 1fq3 n ASN 101 N -0.03 -5.91 -4.16 2.44 3.02 -1.26 -2.48 115.26 106.87 1fq3 n ASN 101 Ca 0.03 -0.02 -0.34 0.00 -0.03 0.00 0.00 54.58 54.22 1fq3 n ASN 101 Cb 0.52 -4.91 -0.07 0.00 -0.61 0.00 0.00 39.78 34.71 1fq3 n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1fq3 n ASP 102 N -1.98 2.69 -3.69 6.41 4.64 -1.21 -4.13 116.55 119.28 1fq3 n ASP 102 Ca -0.25 -2.67 -0.10 0.00 -1.38 0.00 0.00 54.79 50.39 1fq3 n ASP 102 Cb 0.69 -1.44 -0.11 0.00 -1.04 0.00 0.00 41.12 39.22 1fq3 n ASP 102 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 1fq3 s ILE 103 N 8.78 -0.16 0.12 5.18 2.07 -1.26 -4.18 121.20 131.75 1fq3 s ILE 103 Ca 0.65 0.12 0.01 0.00 -1.41 0.00 0.00 60.65 60.01 1fq3 s ILE 103 Cb 0.06 -0.61 0.01 0.00 0.13 0.00 0.00 42.46 42.05 1fq3 s ILE 103 CO 0.14 0.05 0.07 0.80 -1.91 0.00 0.00 174.94 174.09 1fq3 n MET 104 N 4.53 1.40 -3.04 3.50 0.00 0.36 -1.56 117.12 122.31 1fq3 n MET 104 Ca -0.20 -0.79 0.03 0.00 -0.00 0.00 0.00 57.70 56.74 1fq3 n MET 104 Cb 0.54 0.11 -0.00 0.00 0.00 0.00 0.00 33.22 33.87 1fq3 n MET 104 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 1fq3 s LEU 105 N 0.00 -0.88 0.25 -0.89 1.98 -0.97 -3.62 118.68 114.55 1fq3 s LEU 105 Ca 0.05 -0.20 -0.17 0.00 -2.89 0.00 0.00 54.13 50.92 1fq3 s LEU 105 Cb -0.00 1.30 -0.08 0.00 0.66 0.00 0.00 46.19 48.06 1fq3 s LEU 105 CO 0.03 -0.12 0.71 -0.76 -1.89 0.00 0.00 176.35 174.32 1fq3 s LEU 106 N 2.34 4.24 -0.32 -0.68 1.43 -1.22 -2.00 118.68 122.47 1fq3 s LEU 106 Ca 0.18 1.32 -0.06 0.00 -1.03 0.00 0.00 54.13 54.54 1fq3 s LEU 106 Cb -0.02 -3.74 0.03 0.00 0.03 0.00 0.00 46.19 42.49 1fq3 s LEU 106 CO -0.17 -0.05 0.08 -1.58 0.23 0.00 0.00 176.35 174.86 1fq3 s GLN 107 N -2.36 2.75 0.32 1.70 0.74 -0.73 -2.00 119.66 120.08 1fq3 s GLN 107 Ca 0.47 -1.08 -0.28 0.00 0.05 0.00 0.00 55.36 54.51 1fq3 s GLN 107 Cb -0.14 -3.38 -0.13 0.00 1.10 0.00 0.00 33.01 30.46 1fq3 s GLN 107 CO 0.20 -0.58 1.23 1.28 -0.55 0.00 0.00 175.29 176.87 1fq3 n LEU 108 N 4.80 3.08 -0.09 3.68 4.32 0.79 -1.33 117.00 132.24 1fq3 n LEU 108 Ca -0.13 1.20 -0.03 0.00 -0.02 0.00 0.00 56.01 57.02 1fq3 n LEU 108 Cb 0.46 -1.43 0.20 0.00 -1.62 0.00 0.00 43.42 41.03 1fq3 n LEU 108 CO 0.31 -0.71 0.93 -0.08 -1.22 0.00 0.00 177.39 176.62 1fq3 h GLU 109 N 2.55 0.74 -4.81 3.23 4.81 -1.55 -3.43 114.58 116.12 1fq3 h GLU 109 Ca -0.44 -0.17 -0.41 0.00 -0.13 0.00 0.00 59.36 58.20 1fq3 h GLU 109 Cb 1.30 -0.10 -0.29 0.00 0.63 0.00 0.00 28.75 30.28 1fq3 h GLU 109 CO 0.63 0.72 -0.79 -0.98 -0.73 0.00 0.00 179.01 177.87 1fq3 s ARG 110 N -5.07 0.84 0.24 1.92 1.70 -1.26 -4.99 118.95 112.33 1fq3 s ARG 110 Ca -0.09 -0.35 -0.29 0.00 -0.47 0.00 0.00 55.73 54.53 1fq3 s ARG 110 Cb 0.15 -0.81 -0.15 0.00 -0.57 0.00 0.00 34.95 33.57 1fq3 s ARG 110 CO 0.80 0.20 0.87 1.17 -1.08 0.00 0.00 175.30 177.26 1fq3 n LYS 111 N 2.90 0.88 -2.95 3.89 4.81 -1.26 -4.90 118.16 121.53 1fq3 n LYS 111 Ca -0.14 0.31 -0.41 0.00 -0.87 0.00 0.00 58.31 57.20 1fq3 n LYS 111 Cb 0.56 -1.58 -0.04 0.00 0.02 0.00 0.00 35.03 33.99 1fq3 n LYS 111 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1fq3 s ALA 112 N -0.92 3.35 -0.30 3.14 0.00 -0.55 -4.99 121.76 121.49 1fq3 s ALA 112 Ca 0.63 0.17 -0.29 0.00 0.00 0.00 0.00 51.96 52.47 1fq3 s ALA 112 Cb -0.80 -3.09 -0.02 0.00 0.00 0.00 0.00 23.12 19.21 1fq3 s ALA 112 CO 0.58 -0.27 1.74 0.21 0.00 0.00 0.00 175.76 178.02 1fq3 s LYS 113 N 1.19 3.48 -0.30 0.00 2.20 -1.26 -4.77 119.74 120.27 1fq3 s LYS 113 Ca 0.40 1.50 -0.29 0.00 -0.36 0.00 0.00 55.97 57.22 1fq3 s LYS 113 Cb -0.18 -4.15 -0.00 0.00 -1.51 0.00 0.00 37.83 31.99 1fq3 s LYS 113 CO 0.18 -1.68 1.34 0.50 -0.36 0.00 0.00 175.35 175.33 1fq3 s ARG 114 N 5.36 3.87 0.00 4.03 3.52 -1.26 -4.81 118.95 129.66 1fq3 s ARG 114 Ca 0.77 1.26 0.00 0.00 -0.13 0.00 0.00 55.73 57.64 1fq3 s ARG 114 Cb -0.23 -3.91 -0.00 0.00 -1.56 0.00 0.00 34.95 29.25 1fq3 s ARG 114 CO 0.33 -1.18 0.00 0.25 -0.81 0.00 0.00 175.30 173.89 1fq3 n THR 115 N 6.31 0.00 0.28 4.11 -2.24 0.13 -4.99 114.28 117.88 1fq3 n THR 115 Ca 0.15 -0.03 0.16 0.00 -2.27 0.00 0.00 64.05 62.06 1fq3 n THR 115 Cb 0.47 0.02 0.81 0.00 -2.10 0.00 0.00 70.33 69.52 1fq3 n THR 115 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1fq3 h ARG 116 N 0.00 0.00 0.00 -0.78 0.11 -2.00 -2.20 114.38 109.51 1fq3 h ARG 116 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1fq3 h ARG 116 Cb 0.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.10 1fq3 h ARG 116 CO 0.00 0.07 -1.07 0.00 0.10 0.00 0.00 179.97 179.08 1fq3 n ALA 117 N -2.19 3.69 -3.57 0.08 0.00 -1.26 -4.86 120.51 112.41 1fq3 n ALA 117 Ca -0.01 -0.46 -0.13 0.00 0.00 0.00 0.00 53.44 52.84 1fq3 n ALA 117 Cb 0.23 -0.91 -0.12 0.00 0.00 0.00 0.00 19.45 18.65 1fq3 n ALA 117 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1fq3 s VAL 118 N -3.16 -0.47 -0.02 0.00 1.01 -0.83 -4.02 120.40 112.92 1fq3 s VAL 118 Ca 0.04 0.12 -0.07 0.00 0.00 0.00 0.00 61.98 62.07 1fq3 s VAL 118 Cb 0.15 -0.59 0.01 0.00 0.00 0.00 0.00 36.38 35.94 1fq3 s VAL 118 CO 0.82 0.00 0.15 -1.10 0.00 0.00 0.00 175.10 174.97 1fq3 s GLN 119 N 2.46 0.42 1.07 2.72 -0.21 -1.21 -0.70 119.66 124.20 1fq3 s GLN 119 Ca 0.04 -0.22 -0.12 0.00 0.02 0.00 0.00 55.36 55.07 1fq3 s GLN 119 Cb -0.13 0.18 0.23 0.00 1.00 0.00 0.00 33.01 34.28 1fq3 s GLN 119 CO -0.11 -0.09 1.06 -1.25 -2.12 0.00 0.00 175.29 172.78 1fq3 s PRO 120 N -0.99 -0.14 -0.27 2.91 0.04 -1.25 -2.52 135.00 132.77 1fq3 s PRO 120 Ca -0.11 0.77 0.02 0.00 0.04 0.00 0.00 61.00 61.72 1fq3 s PRO 120 Cb -0.06 -1.65 0.07 0.00 0.04 0.00 0.00 34.50 32.90 1fq3 s PRO 120 CO 0.01 -3.19 -0.03 -1.17 0.04 0.00 0.00 177.00 172.67 1fq3 s LEU 121 N -6.83 3.15 -0.06 -3.56 2.96 -0.29 -4.80 118.68 109.26 1fq3 s LEU 121 Ca 0.67 -1.46 -0.36 0.00 -0.22 0.00 0.00 54.13 52.76 1fq3 s LEU 121 Cb -0.22 -1.32 -0.14 0.00 0.50 0.00 0.00 46.19 45.01 1fq3 s LEU 121 CO 0.61 -0.27 1.67 -1.14 -1.32 0.00 0.00 176.35 175.90 1fq3 n ARG 122 N 4.55 1.67 -1.78 1.98 0.63 -1.26 -4.61 116.66 117.84 1fq3 n ARG 122 Ca -0.08 0.61 -0.29 0.00 -0.92 0.00 0.00 57.85 57.16 1fq3 n ARG 122 Cb 0.43 -2.35 0.10 0.00 0.45 0.00 0.00 32.46 31.09 1fq3 n ARG 122 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 1fq3 s LEU 123 N 2.54 2.40 -1.00 6.15 0.05 -1.26 -2.70 118.68 124.86 1fq3 s LEU 123 Ca 0.90 0.89 -0.25 0.00 0.05 0.00 0.00 54.13 55.71 1fq3 s LEU 123 Cb -0.85 -3.36 -0.13 0.00 -2.05 0.00 0.00 46.19 39.79 1fq3 s LEU 123 CO 0.52 -2.04 2.11 -2.16 -0.55 0.00 0.00 176.35 174.22 1fq3 s PRO 124 N -5.46 1.89 0.01 1.48 0.04 -1.25 -4.79 135.00 126.92 1fq3 s PRO 124 Ca 0.62 -0.36 -0.38 0.00 0.04 0.00 0.00 61.00 60.92 1fq3 s PRO 124 Cb -0.12 -5.02 -0.17 0.00 0.04 0.00 0.00 34.50 29.23 1fq3 s PRO 124 CO 0.51 -4.43 1.36 0.45 0.04 0.00 0.00 177.00 174.92 1fq3 n SER 125 N 16.94 1.48 -1.17 6.66 2.88 -1.26 -4.56 113.62 134.59 1fq3 n SER 125 Ca 0.43 1.12 0.15 0.00 -1.33 0.00 0.00 58.87 59.25 1fq3 n SER 125 Cb 0.46 -1.14 -0.04 0.00 -0.75 0.00 0.00 64.21 62.75 1fq3 n SER 125 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1fq3 n ASN 126 N 2.77 -6.96 -4.49 -3.46 5.03 -1.26 -4.83 115.26 102.07 1fq3 n ASN 126 Ca 0.20 1.21 -0.31 0.00 0.87 0.00 0.00 54.58 56.55 1fq3 n ASN 126 Cb 0.16 -3.47 0.19 0.00 -1.02 0.00 0.00 39.78 35.64 1fq3 n ASN 126 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 1fq3 n LYS 127 N -3.47 -1.33 -3.83 3.52 -0.00 -1.26 -4.95 118.16 106.85 1fq3 n LYS 127 Ca 0.01 -0.35 0.03 0.00 -0.00 0.00 0.00 58.31 58.00 1fq3 n LYS 127 Cb 0.51 -2.09 0.01 0.00 -0.00 0.00 0.00 35.03 33.45 1fq3 n LYS 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1fq3 s ALA 128 N -2.44 -2.46 -0.13 0.58 0.00 -1.26 -5.10 121.76 110.94 1fq3 s ALA 128 Ca 0.64 0.38 -0.13 0.00 0.00 0.00 0.00 51.96 52.85 1fq3 s ALA 128 Cb -0.22 0.65 0.04 0.00 0.00 0.00 0.00 23.12 23.59 1fq3 s ALA 128 CO 0.64 -1.11 0.36 1.14 0.00 0.00 0.00 175.76 176.79 1fq3 s GLN 129 N -2.12 0.44 -0.41 0.00 -2.07 -1.26 -4.96 119.66 109.27 1fq3 s GLN 129 Ca 0.23 0.48 -0.02 0.00 -1.82 0.00 0.00 55.36 54.24 1fq3 s GLN 129 Cb 0.02 0.21 0.11 0.00 -1.09 0.00 0.00 33.01 32.27 1fq3 s GLN 129 CO -0.03 -0.06 0.20 0.08 -1.32 0.00 0.00 175.29 174.16 1fq3 s VAL 130 N 0.14 3.17 0.82 3.63 1.01 -1.26 -5.10 120.40 122.80 1fq3 s VAL 130 Ca -0.00 -2.17 -0.12 0.00 0.00 0.00 0.00 61.98 59.68 1fq3 s VAL 130 Cb -0.03 -3.18 0.09 0.00 0.00 0.00 0.00 36.38 33.26 1fq3 s VAL 130 CO 0.01 -0.69 1.16 -0.54 0.00 0.00 0.00 175.10 175.03 1fq3 s LYS 131 N 1.01 1.68 0.66 2.72 1.02 -1.26 -4.96 119.74 120.62 1fq3 s LYS 131 Ca 0.09 1.56 -0.15 0.00 0.02 0.00 0.00 55.97 57.50 1fq3 s LYS 131 Cb -0.22 -1.80 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 1fq3 s LYS 131 CO -0.05 -2.14 1.11 -2.14 -0.92 0.00 0.00 175.35 171.21 1fq3 s PRO 132 N -4.40 2.79 0.00 -1.68 0.02 -1.26 -2.97 135.00 127.50 1fq3 s PRO 132 Ca 0.69 1.38 0.00 0.00 0.02 0.00 0.00 61.00 63.08 1fq3 s PRO 132 Cb -0.24 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.33 1fq3 s PRO 132 CO 0.52 -1.26 0.00 0.41 -0.33 0.00 0.00 177.00 176.35 1fq3 n GLY 133 N -0.56 3.27 3.74 0.52 0.00 -0.66 -4.99 105.19 106.52 1fq3 n GLY 133 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1fq3 n GLY 133 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fq3 s GLN 134 N -0.59 4.24 -0.13 1.61 -0.21 -1.16 -4.83 119.66 118.59 1fq3 s GLN 134 Ca 0.00 2.35 -0.11 0.00 0.02 0.00 0.00 55.36 57.62 1fq3 s GLN 134 Cb 0.00 -3.10 -0.05 0.00 1.00 0.00 0.00 33.01 30.87 1fq3 s GLN 134 CO 0.00 -0.47 0.23 0.95 -2.12 0.00 0.00 175.29 173.88 1fq3 s THR 135 N 0.03 5.35 0.13 -0.19 -4.23 -1.26 -2.37 115.64 113.10 1fq3 s THR 135 Ca 0.60 0.40 0.01 0.00 -1.18 0.00 0.00 61.69 61.53 1fq3 s THR 135 Cb -0.43 -3.53 -0.04 0.00 1.34 0.00 0.00 72.50 69.83 1fq3 s THR 135 CO 0.44 0.50 -0.02 0.00 -0.54 0.00 0.00 174.62 175.00 1fq3 s SER 137 N -3.08 4.56 -0.24 0.00 0.01 -0.69 0.12 113.70 114.37 1fq3 s SER 137 Ca 0.18 -0.05 -0.00 0.00 1.31 0.00 0.00 55.95 57.39 1fq3 s SER 137 Cb 0.06 -1.13 0.07 0.00 0.21 0.00 0.00 66.02 65.23 1fq3 s SER 137 CO -0.01 0.36 -0.00 -0.69 0.41 0.00 0.00 173.24 173.30 1fq3 s VAL 138 N -0.78 1.21 0.42 3.43 1.01 0.87 -2.27 120.40 124.30 1fq3 s VAL 138 Ca 0.12 -1.14 0.05 0.00 0.00 0.00 0.00 61.98 61.01 1fq3 s VAL 138 Cb -0.11 -1.63 0.01 0.00 0.00 0.00 0.00 36.38 34.65 1fq3 s VAL 138 CO 0.01 -0.24 0.59 0.00 0.00 0.00 0.00 175.10 175.46 1fq3 s ALA 139 N 1.52 4.20 0.00 5.51 0.00 -1.26 -3.31 121.76 128.42 1fq3 s ALA 139 Ca -0.01 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 50.50 1fq3 s ALA 139 Cb -0.18 -1.81 0.00 0.00 0.00 0.00 0.00 23.12 21.13 1fq3 s ALA 139 CO -0.09 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.77 1fq3 n GLY 140 N -1.91 2.57 1.96 0.00 0.00 -0.88 -4.67 105.19 102.25 1fq3 n GLY 140 Ca 0.04 -0.86 -0.05 0.00 0.00 0.00 0.00 46.02 45.16 1fq3 n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1fq3 n TRP 141 N -0.80 2.35 -0.07 1.61 8.01 -1.26 -2.78 117.44 124.51 1fq3 n TRP 141 Ca 0.00 -1.11 0.00 0.00 -1.31 0.00 0.00 57.50 55.08 1fq3 n TRP 141 Cb 0.00 -0.66 0.00 0.00 -2.01 0.00 0.00 31.31 28.64 1fq3 n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1fq3 n GLY 142 N -0.05 -2.52 3.74 6.99 0.00 -0.71 -1.92 105.19 110.72 1fq3 n GLY 142 Ca 0.38 -1.36 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 1fq3 n GLY 142 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fq3 s GLN 143 N -0.54 4.66 0.30 1.61 -0.21 -0.84 -0.64 119.66 124.00 1fq3 s GLN 143 Ca 0.00 1.36 0.20 0.00 0.02 0.00 0.00 55.36 56.93 1fq3 s GLN 143 Cb 0.00 -3.36 0.13 0.00 1.00 0.00 0.00 33.01 30.78 1fq3 s GLN 143 CO 0.00 0.27 1.35 0.00 -2.12 0.00 0.00 175.29 174.79 1fq3 h THR 144 N 3.95 0.31 -3.99 -0.19 1.03 -1.77 0.26 112.91 112.50 1fq3 h THR 144 Ca -0.43 -1.47 -0.37 0.00 -0.01 0.00 0.00 66.41 64.13 1fq3 h THR 144 Cb 1.21 2.02 -0.28 0.00 -1.07 0.00 0.00 68.15 70.03 1fq3 h THR 144 CO 0.71 0.17 -0.77 0.00 -0.01 0.00 0.00 175.52 175.63 1fq3 s ALA 145 N -3.14 0.67 0.02 0.00 0.00 -1.26 -3.28 121.76 114.78 1fq3 s ALA 145 Ca 0.03 -0.41 -0.35 0.00 0.00 0.00 0.00 51.96 51.24 1fq3 s ALA 145 Cb 0.07 -0.15 -0.13 0.00 0.00 0.00 0.00 23.12 22.91 1fq3 s ALA 145 CO 0.73 0.15 1.69 -2.30 0.00 0.00 0.00 175.76 176.03 1fq3 n PRO 146 N 2.68 2.01 -3.49 0.00 -0.02 -1.26 -0.65 135.00 134.26 1fq3 n PRO 146 Ca -0.14 0.73 -0.22 0.00 -2.02 0.00 0.00 63.50 61.85 1fq3 n PRO 146 Cb 0.57 -2.52 0.07 0.00 -0.02 0.00 0.00 33.50 31.61 1fq3 n PRO 146 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1fq3 n LEU 147 N 4.81 -3.34 0.00 2.45 -0.00 -1.26 -4.97 117.00 114.68 1fq3 n LEU 147 Ca 0.20 -0.50 0.00 0.00 -0.00 0.00 0.00 56.01 55.71 1fq3 n LEU 147 Cb 0.27 -2.84 0.00 0.00 -0.00 0.00 0.00 43.42 40.85 1fq3 n LEU 147 CO 0.68 0.59 0.00 0.61 -0.00 0.00 0.00 177.39 179.27 1fq3 n GLY 148 N -1.83 0.58 3.61 -3.96 0.00 0.17 -5.15 105.19 98.60 1fq3 n GLY 148 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1fq3 n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fq3 s LYS 149 N 1.45 0.77 0.95 1.61 -0.14 -1.26 -5.04 119.74 118.08 1fq3 s LYS 149 Ca 0.00 0.69 -0.14 0.00 -1.36 0.00 0.00 55.97 55.16 1fq3 s LYS 149 Cb 0.00 0.37 -0.02 0.00 -1.68 0.00 0.00 37.83 36.50 1fq3 s LYS 149 CO 0.00 -0.14 0.09 0.72 -0.76 0.00 0.00 175.35 175.26 1fq3 n HIS 151 N 2.09 -2.43 -4.21 3.18 8.25 -1.26 -3.71 115.22 117.13 1fq3 n HIS 151 Ca -0.14 0.17 -0.34 0.00 -0.26 0.00 0.00 57.72 57.15 1fq3 n HIS 151 Cb 0.56 -1.70 -0.12 0.00 1.12 0.00 0.00 29.99 29.85 1fq3 n HIS 151 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1fq3 s SER 152 N -1.71 4.90 0.18 0.41 0.15 0.19 -4.85 113.70 112.96 1fq3 s SER 152 Ca 0.53 -0.14 -0.13 0.00 0.70 0.00 0.00 55.95 56.90 1fq3 s SER 152 Cb -0.21 -1.82 0.09 0.00 -1.71 0.00 0.00 66.02 62.37 1fq3 s SER 152 CO 0.71 0.12 1.84 0.45 1.20 0.00 0.00 173.24 177.56 1fq3 h HIS 153 N 7.06 0.67 -3.31 3.44 3.86 -1.90 -3.43 115.15 121.54 1fq3 h HIS 153 Ca -0.34 0.02 -0.48 0.00 -1.16 0.00 0.00 60.37 58.41 1fq3 h HIS 153 Cb 1.18 -0.22 0.03 0.00 1.06 0.00 0.00 27.41 29.46 1fq3 h HIS 153 CO 0.56 0.41 0.04 0.95 0.86 0.00 0.00 177.93 180.75 1fq3 s THR 154 N -6.15 4.51 1.16 2.45 -4.23 -1.25 -2.43 115.64 109.71 1fq3 s THR 154 Ca -0.13 -0.08 -0.19 0.00 -1.18 0.00 0.00 61.69 60.11 1fq3 s THR 154 Cb 0.13 -3.71 0.30 0.00 1.34 0.00 0.00 72.50 70.56 1fq3 s THR 154 CO 0.75 -0.63 0.76 -0.11 -0.54 0.00 0.00 174.62 174.85 1fq3 n LEU 155 N -2.22 0.00 -3.15 4.79 7.94 -0.58 -4.75 117.00 119.03 1fq3 n LEU 155 Ca 0.01 -0.78 0.05 0.00 -1.11 0.00 0.00 56.01 54.17 1fq3 n LEU 155 Cb 0.56 -0.82 -0.01 0.00 0.53 0.00 0.00 43.42 43.68 1fq3 n LEU 155 CO 0.51 -2.45 0.41 -1.10 -1.11 0.00 0.00 177.39 173.66 1fq3 s GLN 156 N -4.79 0.35 0.50 1.96 -1.52 -1.12 -4.21 119.66 110.84 1fq3 s GLN 156 Ca 0.56 0.61 0.08 0.00 -1.95 0.00 0.00 55.36 54.66 1fq3 s GLN 156 Cb -0.09 0.34 0.04 0.00 -0.22 0.00 0.00 33.01 33.09 1fq3 s GLN 156 CO 0.46 -0.38 0.63 -1.83 -0.25 0.00 0.00 175.29 173.92 1fq3 s GLU 157 N 2.91 2.49 -0.26 2.91 -1.05 -0.94 -2.08 118.70 122.69 1fq3 s GLU 157 Ca 0.08 -1.55 -0.32 0.00 -0.15 0.00 0.00 54.97 53.04 1fq3 s GLU 157 Cb -0.12 -2.59 0.17 0.00 -0.44 0.00 0.00 34.13 31.16 1fq3 s GLU 157 CO -0.15 -0.57 1.32 0.54 0.95 0.00 0.00 175.26 177.35 1fq3 s VAL 158 N -2.56 0.00 -0.16 1.83 0.11 -1.21 -2.83 120.40 115.59 1fq3 s VAL 158 Ca 0.55 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.57 1fq3 s VAL 158 Cb -0.06 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.77 1fq3 s VAL 158 CO 0.34 0.00 -0.06 -0.54 -3.33 0.00 0.00 175.10 171.50 1fq3 s LYS 159 N -1.36 3.54 0.19 1.54 -0.14 -1.25 -0.09 119.74 122.16 1fq3 s LYS 159 Ca 0.09 -0.59 0.00 0.00 -1.36 0.00 0.00 55.97 54.11 1fq3 s LYS 159 Cb -0.01 -2.85 0.00 0.00 -1.68 0.00 0.00 37.83 33.29 1fq3 s LYS 159 CO -0.06 0.16 0.03 -1.33 -0.76 0.00 0.00 175.35 173.39 1fq3 n MET 160 N 3.75 1.48 -3.67 1.68 2.81 0.32 -4.91 117.12 118.58 1fq3 n MET 160 Ca -0.18 -1.35 -0.17 0.00 -1.81 0.00 0.00 57.70 54.20 1fq3 n MET 160 Cb 0.52 0.32 -0.16 0.00 -0.71 0.00 0.00 33.22 33.19 1fq3 n MET 160 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1fq3 s THR 161 N -1.54 -0.23 -0.86 2.03 2.01 -1.26 -1.39 115.64 114.40 1fq3 s THR 161 Ca 0.02 0.36 -0.21 0.00 0.31 0.00 0.00 61.69 62.17 1fq3 s THR 161 Cb -0.00 -0.27 -0.21 0.00 0.01 0.00 0.00 72.50 72.03 1fq3 s THR 161 CO 0.01 0.15 2.39 0.55 -0.69 0.00 0.00 174.62 177.03 1fq3 n VAL 162 N 5.25 -0.02 -0.19 3.82 3.14 -1.00 -1.39 118.33 127.94 1fq3 n VAL 162 Ca -0.06 -0.45 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 1fq3 n VAL 162 Cb 0.50 -1.13 0.00 0.00 -1.06 0.00 0.00 33.84 32.14 1fq3 n VAL 162 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1fq3 n GLN 163 N 7.65 -0.42 -3.79 1.45 1.13 -1.21 -1.65 117.38 120.54 1fq3 n GLN 163 Ca 0.57 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 55.26 1fq3 n GLN 163 Cb 0.27 0.00 -0.11 0.00 0.11 0.00 0.00 30.24 30.51 1fq3 n GLN 163 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1fq3 s GLU 164 N -1.81 3.89 0.16 -1.09 2.12 -1.26 -4.58 118.70 116.13 1fq3 s GLU 164 Ca 0.00 -0.37 -0.06 0.00 0.36 0.00 0.00 54.97 54.90 1fq3 s GLU 164 Cb 0.00 -3.39 0.25 0.00 0.26 0.00 0.00 34.13 31.25 1fq3 s GLU 164 CO 0.00 0.00 0.95 -0.25 -0.54 0.00 0.00 175.26 175.42 1fq3 n ASP 165 N 4.40 -0.26 -0.41 -1.70 9.92 -1.26 0.53 116.55 127.77 1fq3 n ASP 165 Ca -0.16 1.05 0.35 0.00 -0.53 0.00 0.00 54.79 55.50 1fq3 n ASP 165 Cb 0.52 -0.30 0.62 0.00 -0.64 0.00 0.00 41.12 41.32 1fq3 n ASP 165 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 1fq3 h ARG 166 N 0.00 0.08 -0.21 -1.24 2.43 -1.95 1.12 114.38 114.62 1fq3 h ARG 166 Ca 0.28 -0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 59.23 1fq3 h ARG 166 Cb 0.43 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1fq3 h ARG 166 CO -0.62 0.05 -0.69 0.87 -1.51 0.00 0.00 179.97 178.08 1fq3 h LYS 167 N 0.08 0.83 -0.27 0.20 1.57 -0.33 -1.73 116.57 116.92 1fq3 h LYS 167 Ca 0.83 -0.61 -0.13 0.00 -1.87 0.00 0.00 60.65 58.87 1fq3 h LYS 167 Cb 2.46 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 34.87 1fq3 h LYS 167 CO -0.51 1.23 -0.33 0.00 -0.57 0.00 0.00 179.45 179.27 1fq3 n GLU 169 N -4.25 0.09 -0.01 0.00 1.02 0.32 0.13 120.64 117.95 1fq3 n GLU 169 Ca -0.04 0.24 0.01 0.00 -0.02 0.00 0.00 57.16 57.35 1fq3 n GLU 169 Cb 0.49 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.39 1fq3 n GLU 169 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1fq3 n SER 170 N -1.33 4.19 -0.11 1.62 2.88 -0.66 -4.22 113.62 116.00 1fq3 n SER 170 Ca 0.03 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.35 1fq3 n SER 170 Cb 0.06 0.98 -0.09 0.00 -0.75 0.00 0.00 64.21 64.42 1fq3 n SER 170 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1fq3 n ASP 170 N -1.77 1.90 0.00 -3.46 10.43 0.24 -3.97 116.55 119.91 1fq3 n ASP 170 Ca -0.02 0.40 0.01 0.00 2.57 0.00 0.00 54.79 57.75 1fq3 n ASP 170 Cb 0.25 -0.88 0.04 0.00 1.84 0.00 0.00 41.12 42.37 1fq3 n ASP 170 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1fq3 n LEU 171 N -4.38 0.00 0.00 0.64 4.77 0.36 -4.86 117.00 113.53 1fq3 n LEU 171 Ca -0.37 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 1fq3 n LEU 171 Cb 0.71 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 1fq3 n LEU 171 CO 0.12 0.00 0.00 0.54 -1.33 0.00 0.00 177.39 176.72 1fq3 n ARG 172 N -0.53 0.00 -0.28 3.23 1.74 -1.19 -1.86 116.66 117.77 1fq3 n ARG 172 Ca 0.01 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.16 1fq3 n ARG 172 Cb 0.01 0.00 0.10 0.00 -1.02 0.00 0.00 32.46 31.54 1fq3 n ARG 172 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1fq3 n HIS 173 N 0.00 0.00 -0.07 -1.55 8.25 -1.26 -4.71 115.22 115.88 1fq3 n HIS 173 Ca 0.00 -0.72 -0.12 0.00 -0.26 0.00 0.00 57.72 56.61 1fq3 n HIS 173 Cb 0.00 -0.13 -0.06 0.00 1.12 0.00 0.00 29.99 30.92 1fq3 n HIS 173 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1fq3 n TYR 174 N -0.93 0.00 -1.66 4.41 0.53 -0.77 -5.03 117.16 113.70 1fq3 n TYR 174 Ca 0.11 0.00 -0.47 0.00 -1.02 0.00 0.00 57.90 56.52 1fq3 n TYR 174 Cb 0.68 -0.54 -0.04 0.00 -1.03 0.00 0.00 39.34 38.41 1fq3 n TYR 174 CO 0.00 0.00 0.00 0.98 -1.02 0.00 0.00 176.86 176.82 1fq3 n TYR 175 N -3.24 2.17 -4.76 -0.72 4.19 -1.25 -4.86 117.16 108.69 1fq3 n TYR 175 Ca -0.27 0.33 -0.28 0.00 3.31 0.00 0.00 57.90 60.98 1fq3 n TYR 175 Cb 0.74 -2.51 -0.17 0.00 0.49 0.00 0.00 39.34 37.89 1fq3 n TYR 175 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 1fq3 s ASP 176 N 0.82 2.46 -0.01 2.98 3.68 -1.26 -4.97 116.67 120.37 1fq3 s ASP 176 Ca 0.79 -0.44 -0.07 0.00 2.13 0.00 0.00 52.55 54.97 1fq3 s ASP 176 Cb -0.71 -1.12 -0.04 0.00 -1.45 0.00 0.00 42.92 39.60 1fq3 s ASP 176 CO 0.40 0.07 0.52 0.77 0.13 0.00 0.00 175.17 177.06 1fq3 h SER 177 N 7.03 -0.21 -0.54 -0.34 4.64 -1.96 -2.73 113.55 119.45 1fq3 h SER 177 Ca -0.27 0.01 0.16 0.00 -0.47 0.00 0.00 61.79 61.21 1fq3 h SER 177 Cb 1.20 0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 1fq3 h SER 177 CO 0.48 -0.03 0.84 0.35 -0.87 0.00 0.00 176.83 177.61 1fq3 n THR 178 N -3.32 0.00 -0.03 2.95 -2.24 -1.26 -2.21 114.28 108.17 1fq3 n THR 178 Ca -0.03 0.86 -0.07 0.00 -2.27 0.00 0.00 64.05 62.54 1fq3 n THR 178 Cb 0.10 -1.58 -0.02 0.00 -2.10 0.00 0.00 70.33 66.72 1fq3 n THR 178 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1fq3 n ILE 179 N -2.49 0.45 -3.94 2.28 5.41 -1.26 -4.97 119.36 114.84 1fq3 n ILE 179 Ca 0.12 -0.07 -0.35 0.00 1.00 0.00 0.00 62.75 63.45 1fq3 n ILE 179 Cb 1.00 -1.61 -0.12 0.00 -0.71 0.00 0.00 39.64 38.21 1fq3 n ILE 179 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1fq3 s GLU 180 N -2.13 3.72 0.55 0.38 -1.05 -0.94 -0.23 118.70 119.00 1fq3 s GLU 180 Ca -0.10 -0.46 -0.09 0.00 -0.15 0.00 0.00 54.97 54.17 1fq3 s GLU 180 Cb 0.04 -3.21 -0.04 0.00 -0.44 0.00 0.00 34.13 30.47 1fq3 s GLU 180 CO 0.12 -0.00 0.92 -0.48 0.95 0.00 0.00 175.26 176.77 1fq3 s LEU 181 N 1.09 3.44 0.13 1.83 0.05 0.04 -4.41 118.68 120.84 1fq3 s LEU 181 Ca 0.03 1.22 -0.03 0.00 0.05 0.00 0.00 54.13 55.40 1fq3 s LEU 181 Cb -0.14 -4.22 -0.05 0.00 -2.05 0.00 0.00 46.19 39.73 1fq3 s LEU 181 CO 0.03 -0.71 0.34 0.00 -0.55 0.00 0.00 176.35 175.45 1fq3 s VAL 183 N -1.65 0.05 0.00 0.00 1.01 -1.25 -3.34 120.40 115.22 1fq3 s VAL 183 Ca 0.39 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.96 1fq3 s VAL 183 Cb -0.12 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.73 1fq3 s VAL 183 CO 0.26 -0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.74 1fq3 n GLY 184 N 1.70 -1.62 3.70 4.51 0.00 -0.48 -1.42 105.19 111.57 1fq3 n GLY 184 Ca -0.20 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.59 1fq3 n GLY 184 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1fq3 n ASP 184 N 0.00 3.72 0.28 1.61 -0.08 -1.25 -4.05 116.55 116.78 1fq3 n ASP 184 Ca 0.00 1.07 0.19 0.00 -1.51 0.00 0.00 54.79 54.54 1fq3 n ASP 184 Cb 0.00 -1.53 0.93 0.00 2.34 0.00 0.00 41.12 42.87 1fq3 n ASP 184 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1fq3 h PRO 185 N 6.56 0.00 -0.67 -0.67 0.11 -1.93 -2.73 132.00 132.67 1fq3 h PRO 185 Ca -0.44 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.62 1fq3 h PRO 185 Cb 1.22 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1fq3 h PRO 185 CO 0.94 0.00 0.07 0.39 -0.21 0.00 0.00 178.00 179.18 1fq3 n GLU 186 N -2.92 4.27 0.00 1.05 4.71 -1.26 -4.63 120.64 121.87 1fq3 n GLU 186 Ca -0.01 -2.84 0.00 0.00 -0.01 0.00 0.00 57.16 54.29 1fq3 n GLU 186 Cb 0.15 -2.19 0.00 0.00 -1.01 0.00 0.00 31.44 28.39 1fq3 n GLU 186 CO 0.00 0.00 0.00 0.44 0.09 0.00 0.00 177.13 177.66 1fq3 n ILE 187 N 0.39 0.00 -2.68 -3.67 -6.64 -1.03 -5.17 119.36 100.55 1fq3 n ILE 187 Ca 0.29 0.00 -0.04 0.00 -1.77 0.00 0.00 62.75 61.22 1fq3 n ILE 187 Cb 1.17 0.00 -0.04 0.00 -1.44 0.00 0.00 39.64 39.33 1fq3 n ILE 187 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 1fq3 n LYS 188 N 0.00 -4.05 -3.66 6.28 5.02 -1.26 -4.56 118.16 115.93 1fq3 n LYS 188 Ca 0.00 3.10 -0.11 0.00 -2.02 0.00 0.00 58.31 59.28 1fq3 n LYS 188 Cb 0.00 -4.62 -0.08 0.00 -0.02 0.00 0.00 35.03 30.31 1fq3 n LYS 188 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1fq3 s THR 189 N -0.76 -0.00 0.49 -0.18 -1.32 -1.03 -4.80 115.64 108.04 1fq3 s THR 189 Ca -0.21 0.02 -0.23 0.00 -1.21 0.00 0.00 61.69 60.05 1fq3 s THR 189 Cb 0.01 -0.86 -0.06 0.00 -1.51 0.00 0.00 72.50 70.08 1fq3 s THR 189 CO 0.70 0.01 1.26 -0.94 -2.21 0.00 0.00 174.62 173.44 1fq3 s SER 190 N 0.93 5.79 0.02 8.08 1.04 -1.26 -2.90 113.70 125.40 1fq3 s SER 190 Ca -0.05 2.54 0.00 0.00 0.48 0.00 0.00 55.95 58.92 1fq3 s SER 190 Cb -0.05 -2.62 -0.00 0.00 0.10 0.00 0.00 66.02 63.45 1fq3 s SER 190 CO -0.08 -1.20 0.01 0.33 0.98 0.00 0.00 173.24 173.28 1fq3 n PHE 191 N -0.67 -0.01 -1.54 5.02 7.35 -1.26 -4.88 117.46 121.47 1fq3 n PHE 191 Ca 0.08 -0.14 -0.55 0.00 -0.76 0.00 0.00 57.45 56.09 1fq3 n PHE 191 Cb 0.46 0.01 -0.07 0.00 0.35 0.00 0.00 39.48 40.23 1fq3 n PHE 191 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1fq3 n LYS 192 N -0.04 0.57 -0.45 -4.13 4.01 -1.26 -0.85 118.16 116.00 1fq3 n LYS 192 Ca -0.00 0.20 0.00 0.00 -0.51 0.00 0.00 58.31 58.00 1fq3 n LYS 192 Cb 0.03 -1.73 0.00 0.00 -0.51 0.00 0.00 35.03 32.82 1fq3 n LYS 192 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1fq3 n GLY 193 N 1.97 0.75 0.00 0.72 0.00 -1.26 -1.99 105.19 105.39 1fq3 n GLY 193 Ca 0.19 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1fq3 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fq3 n ASP 194 N 0.40 3.98 -4.57 1.61 10.43 -0.03 -1.73 116.55 126.63 1fq3 n ASP 194 Ca 0.00 0.00 -0.41 0.00 2.57 0.00 0.00 54.79 56.95 1fq3 n ASP 194 Cb 0.00 0.58 0.01 0.00 1.84 0.00 0.00 41.12 43.55 1fq3 n ASP 194 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 1fq3 n SER 195 N -1.47 0.74 0.00 -2.24 3.41 -1.26 -2.36 113.62 110.44 1fq3 n SER 195 Ca 0.00 1.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.61 1fq3 n SER 195 Cb 0.22 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 62.87 1fq3 n SER 195 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fq3 n GLY 196 N 1.33 2.84 3.56 5.00 0.00 -1.12 -1.63 105.19 115.18 1fq3 n GLY 196 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1fq3 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fq3 s GLY 197 N -2.67 1.55 0.23 -0.02 0.00 -0.99 -3.00 107.32 102.41 1fq3 s GLY 197 Ca 0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 44.72 44.00 1fq3 s GLY 197 CO 0.00 0.11 0.43 2.56 0.00 0.00 0.00 173.10 176.20 1fq3 s PRO 198 N -5.16 3.53 -0.80 2.90 0.04 -1.26 -2.56 135.00 131.70 1fq3 s PRO 198 Ca 0.69 -0.29 -0.03 0.00 0.04 0.00 0.00 61.00 61.41 1fq3 s PRO 198 Cb -0.14 -2.79 0.20 0.00 0.04 0.00 0.00 34.50 31.81 1fq3 s PRO 198 CO 0.58 0.35 0.66 -1.17 0.04 0.00 0.00 177.00 177.46 1fq3 s LEU 199 N -3.45 5.49 0.14 -3.56 2.96 0.34 -4.31 118.68 116.28 1fq3 s LEU 199 Ca 0.39 -3.39 -0.30 0.00 -0.22 0.00 0.00 54.13 50.61 1fq3 s LEU 199 Cb -0.11 -1.90 -0.07 0.00 0.50 0.00 0.00 46.19 44.61 1fq3 s LEU 199 CO 0.30 -0.26 1.15 0.54 -1.32 0.00 0.00 176.35 176.76 1fq3 s VAL 200 N -0.85 3.86 -0.13 1.68 0.11 -0.96 -3.09 120.40 121.02 1fq3 s VAL 200 Ca 0.23 1.50 -0.04 0.00 -2.93 0.00 0.00 61.98 60.75 1fq3 s VAL 200 Cb -0.12 -3.96 0.05 0.00 -1.53 0.00 0.00 36.38 30.82 1fq3 s VAL 200 CO -0.09 0.21 0.09 0.00 -3.33 0.00 0.00 175.10 171.97 1fq3 n ASN 202 N 5.29 -3.20 -2.63 0.00 3.02 -1.26 -3.06 115.26 113.41 1fq3 n ASN 202 Ca -0.06 -0.50 -0.17 0.00 -0.03 0.00 0.00 54.58 53.83 1fq3 n ASN 202 Cb 0.49 -4.35 -0.00 0.00 -0.61 0.00 0.00 39.78 35.31 1fq3 n ASN 202 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1fq3 n LYS 203 N -3.83 -2.60 -3.70 3.52 3.00 -1.26 -4.98 118.16 108.30 1fq3 n LYS 203 Ca -0.16 0.70 -0.12 0.00 -0.00 0.00 0.00 58.31 58.73 1fq3 n LYS 203 Cb 0.61 -5.37 -0.13 0.00 0.00 0.00 0.00 35.03 30.15 1fq3 n LYS 203 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1fq3 s VAL 208 N -2.82 -0.17 -0.20 3.15 1.01 -1.17 -4.68 120.40 115.52 1fq3 s VAL 208 Ca 0.09 0.18 -0.10 0.00 0.00 0.00 0.00 61.98 62.15 1fq3 s VAL 208 Cb -0.05 -0.44 -0.11 0.00 0.00 0.00 0.00 36.38 35.78 1fq3 s VAL 208 CO 0.12 0.07 1.15 0.00 0.00 0.00 0.00 175.10 176.44 1fq3 n ALA 209 N 4.61 0.34 1.86 5.51 0.00 -1.10 -3.31 120.51 128.41 1fq3 n ALA 209 Ca -0.19 -1.37 0.04 0.00 0.00 0.00 0.00 53.44 51.93 1fq3 n ALA 209 Cb 0.52 -1.44 0.26 0.00 0.00 0.00 0.00 19.45 18.79 1fq3 n ALA 209 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1fq3 n GLN 210 N 5.47 0.93 0.00 0.00 1.13 -1.18 -3.81 117.38 119.92 1fq3 n GLN 210 Ca 0.16 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.22 1fq3 n GLN 210 Cb 0.40 -1.15 0.00 0.00 0.11 0.00 0.00 30.24 29.61 1fq3 n GLN 210 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1fq3 n GLY 211 N 0.55 3.72 3.48 1.08 0.00 -1.24 -4.07 105.19 108.72 1fq3 n GLY 211 Ca 0.06 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 1fq3 n GLY 211 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1fq3 s ILE 212 N -2.00 3.45 0.12 -0.61 2.07 -0.48 0.13 121.20 123.87 1fq3 s ILE 212 Ca 0.00 -0.54 -0.32 0.00 -1.41 0.00 0.00 60.65 58.38 1fq3 s ILE 212 Cb 0.00 -2.44 -0.11 0.00 0.13 0.00 0.00 42.46 40.04 1fq3 s ILE 212 CO 0.00 0.55 1.80 0.52 -1.91 0.00 0.00 174.94 175.89 1fq3 n VAL 213 N 2.97 0.29 0.00 4.00 0.31 -1.06 -0.38 118.33 124.47 1fq3 n VAL 213 Ca -0.18 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 1fq3 n VAL 213 Cb 0.53 -2.02 0.00 0.00 -0.91 0.00 0.00 33.84 31.44 1fq3 n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1fq3 n SER 214 N 5.24 0.00 -2.74 4.52 2.88 -0.52 -2.78 113.62 120.21 1fq3 n SER 214 Ca 0.18 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.59 1fq3 n SER 214 Cb 0.35 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.78 1fq3 n SER 214 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1fq3 n TYR 215 N -0.17 -1.12 0.00 0.66 4.11 -0.94 -4.77 117.16 114.92 1fq3 n TYR 215 Ca 0.00 -2.09 0.00 0.00 -0.00 0.00 0.00 57.90 55.81 1fq3 n TYR 215 Cb 0.00 0.41 0.00 0.00 -0.00 0.00 0.00 39.34 39.75 1fq3 n TYR 215 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1fq3 n GLY 216 N -0.50 1.21 1.84 -7.48 0.00 -1.26 0.10 105.19 99.10 1fq3 n GLY 216 Ca 0.02 -0.78 -0.27 0.00 0.00 0.00 0.00 46.02 45.00 1fq3 n GLY 216 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fq3 n ARG 217 N -0.30 0.00 -0.18 1.61 1.74 -1.26 -4.78 116.66 113.50 1fq3 n ARG 217 Ca 0.00 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.09 1fq3 n ARG 217 Cb 0.00 -0.57 0.08 0.00 -1.02 0.00 0.00 32.46 30.95 1fq3 n ARG 217 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1fq3 n ASN 218 N 1.04 1.92 -1.59 0.55 0.23 -1.26 -3.83 115.26 112.33 1fq3 n ASN 218 Ca 0.10 -2.18 0.08 0.00 -0.53 0.00 0.00 54.58 52.05 1fq3 n ASN 218 Cb 0.12 -0.52 0.36 0.00 -2.08 0.00 0.00 39.78 37.66 1fq3 n ASN 218 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1fq3 n ASN 219 N 0.12 5.04 -3.25 0.53 6.94 -1.26 -4.95 115.26 118.43 1fq3 n ASN 219 Ca 0.06 -2.77 -0.22 0.00 -0.02 0.00 0.00 54.58 51.63 1fq3 n ASN 219 Cb 0.43 -0.61 0.06 0.00 -2.36 0.00 0.00 39.78 37.30 1fq3 n ASN 219 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1fq3 n GLY 220 N 0.58 -0.47 3.04 4.83 0.00 -1.25 -5.01 105.19 106.92 1fq3 n GLY 220 Ca 0.26 0.17 -0.09 0.00 0.00 0.00 0.00 46.02 46.35 1fq3 n GLY 220 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1fq3 s MET 224 N -6.04 0.42 1.10 1.61 -1.94 -1.26 -4.91 119.30 108.27 1fq3 s MET 224 Ca 0.47 -0.62 -0.16 0.00 -1.71 0.00 0.00 55.69 53.67 1fq3 s MET 224 Cb -0.21 0.16 0.24 0.00 2.01 0.00 0.00 34.83 37.03 1fq3 s MET 224 CO 0.58 -0.09 1.11 -2.14 -0.01 0.00 0.00 175.02 174.47 1fq3 s PRO 224 N -1.79 -0.36 0.17 2.03 0.02 -1.26 -4.44 135.00 129.37 1fq3 s PRO 224 Ca -0.12 0.21 -0.02 0.00 0.02 0.00 0.00 61.00 61.08 1fq3 s PRO 224 Cb -0.07 -1.67 0.04 0.00 0.02 0.00 0.00 34.50 32.82 1fq3 s PRO 224 CO -0.01 -3.19 0.23 -0.35 -0.33 0.00 0.00 177.00 173.34 1fq3 n PRO 225 N -4.44 -0.08 -3.34 5.54 -0.04 -1.26 -4.66 135.00 126.72 1fq3 n PRO 225 Ca 0.09 -0.40 -0.12 0.00 -0.04 0.00 0.00 63.50 63.03 1fq3 n PRO 225 Cb 0.58 -0.22 -0.07 0.00 -0.04 0.00 0.00 33.50 33.75 1fq3 n PRO 225 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1fq3 s ARG 226 N -3.39 0.37 0.16 0.54 1.81 -0.51 -4.24 118.95 113.69 1fq3 s ARG 226 Ca 0.13 0.09 -0.33 0.00 -1.72 0.00 0.00 55.73 53.90 1fq3 s ARG 226 Cb -0.00 -0.46 -0.16 0.00 -0.45 0.00 0.00 34.95 33.88 1fq3 s ARG 226 CO 0.09 -0.98 1.18 0.00 -0.68 0.00 0.00 175.30 174.91 1fq3 n ALA 227 N 5.34 -0.86 -4.02 2.13 0.00 0.11 -3.76 120.51 119.45 1fq3 n ALA 227 Ca -0.01 0.47 -0.31 0.00 0.00 0.00 0.00 53.44 53.60 1fq3 n ALA 227 Cb 0.48 -2.03 -0.16 0.00 0.00 0.00 0.00 19.45 17.75 1fq3 n ALA 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fq3 n THR 229 N 4.70 2.13 -3.04 0.00 -1.04 0.49 -0.78 114.28 116.74 1fq3 n THR 229 Ca -0.16 -0.50 -0.44 0.00 -2.04 0.00 0.00 64.05 60.90 1fq3 n THR 229 Cb 0.48 -0.80 -0.04 0.00 -1.82 0.00 0.00 70.33 68.15 1fq3 n THR 229 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1fq3 s LYS 230 N -1.78 3.06 0.23 -2.82 1.02 0.68 -1.39 119.74 118.75 1fq3 s LYS 230 Ca 0.64 -1.17 -0.08 0.00 0.02 0.00 0.00 55.97 55.38 1fq3 s LYS 230 Cb -0.59 -4.25 0.38 0.00 -0.52 0.00 0.00 37.83 32.85 1fq3 s LYS 230 CO 0.57 -1.62 1.69 0.28 -0.92 0.00 0.00 175.35 175.35 1fq3 h VAL 231 N 5.94 0.55 -0.89 3.17 2.07 -1.83 -1.09 116.25 124.16 1fq3 h VAL 231 Ca -0.29 -0.08 0.16 0.00 0.82 0.00 0.00 66.70 67.31 1fq3 h VAL 231 Cb 1.08 0.29 -0.16 0.00 -1.52 0.00 0.00 31.29 30.98 1fq3 h VAL 231 CO 1.12 0.04 -0.27 -0.24 0.02 0.00 0.00 177.57 178.25 1fq3 n SER 232 N -5.17 -0.42 0.29 0.57 2.88 -1.26 -1.76 113.62 108.74 1fq3 n SER 232 Ca 0.12 1.54 -0.17 0.00 -1.33 0.00 0.00 58.87 59.03 1fq3 n SER 232 Cb 0.40 -0.42 -0.09 0.00 -0.75 0.00 0.00 64.21 63.35 1fq3 n SER 232 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1fq3 h SER 233 N 0.00 -1.13 -0.09 -3.46 0.02 -1.54 -2.90 113.55 104.45 1fq3 h SER 233 Ca 0.38 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 1fq3 h SER 233 Cb 0.61 0.36 0.00 0.00 0.14 0.00 0.00 62.40 63.51 1fq3 h SER 233 CO -0.91 -0.59 0.00 0.49 -1.14 0.00 0.00 176.83 174.68 1fq3 n PHE 234 N -5.52 0.26 -0.37 3.45 3.01 -0.76 -4.18 117.46 113.35 1fq3 n PHE 234 Ca -0.11 -0.10 -0.01 0.00 1.01 0.00 0.00 57.45 58.24 1fq3 n PHE 234 Cb 0.42 -0.11 0.12 0.00 -0.01 0.00 0.00 39.48 39.90 1fq3 n PHE 234 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1fq3 h VAL 235 N 0.61 1.21 0.18 -4.37 2.07 -1.12 0.12 116.25 114.94 1fq3 h VAL 235 Ca 0.00 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.08 1fq3 h VAL 235 Cb 0.53 -0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1fq3 h VAL 235 CO 0.05 0.23 -0.19 -0.74 0.02 0.00 0.00 177.57 176.94 1fq3 h HIS 236 N 1.29 -0.50 0.07 1.57 -0.00 -1.82 -2.10 115.15 113.66 1fq3 h HIS 236 Ca 0.38 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.77 1fq3 h HIS 236 Cb -0.07 0.20 -0.03 0.00 -0.00 0.00 0.00 27.41 27.51 1fq3 h HIS 236 CO -0.00 -0.29 -0.23 2.35 -0.00 0.00 0.00 177.93 179.76 1fq3 h TRP 237 N -0.41 -0.60 -1.03 5.26 7.01 -1.71 -0.11 115.95 124.36 1fq3 h TRP 237 Ca 0.00 0.01 0.31 0.00 2.11 0.00 0.00 58.89 61.33 1fq3 h TRP 237 Cb 0.39 0.26 -0.13 0.00 -2.10 0.00 0.00 29.16 27.57 1fq3 h TRP 237 CO -0.15 -0.32 0.61 0.82 -2.79 0.00 0.00 178.44 176.61 1fq3 h ILE 238 N -0.40 0.37 0.02 2.65 1.08 -0.58 0.30 117.51 120.95 1fq3 h ILE 238 Ca 0.04 -0.13 -0.25 0.00 -0.39 0.00 0.00 64.86 64.13 1fq3 h ILE 238 Cb 0.44 -0.04 0.01 0.00 -3.07 0.00 0.00 36.82 34.16 1fq3 h ILE 238 CO -0.15 0.07 -1.02 0.11 -0.69 0.00 0.00 178.15 176.47 1fq3 h LYS 239 N 0.38 0.50 0.65 2.37 1.57 -0.55 -2.85 116.57 118.64 1fq3 h LYS 239 Ca 0.70 -0.57 -0.03 0.00 -1.87 0.00 0.00 60.65 58.88 1fq3 h LYS 239 Cb 1.62 0.17 0.01 0.00 0.08 0.00 0.00 32.23 34.10 1fq3 h LYS 239 CO -0.52 1.20 -0.31 -0.22 -0.57 0.00 0.00 179.45 179.03 1fq3 h LYS 240 N 0.27 -0.84 -0.52 3.15 1.63 0.12 -3.04 116.57 117.35 1fq3 h LYS 240 Ca -0.11 0.06 0.15 0.00 -0.85 0.00 0.00 60.65 59.90 1fq3 h LYS 240 Cb 1.67 0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 33.47 1fq3 h LYS 240 CO 0.18 -0.55 0.40 1.15 -3.45 0.00 0.00 179.45 177.18 1fq3 h THR 241 N -1.22 0.65 0.00 1.00 2.02 -1.00 0.14 112.91 114.50 1fq3 h THR 241 Ca -0.09 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1fq3 h THR 241 Cb 0.68 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1fq3 h THR 241 CO 0.15 0.00 0.07 0.80 0.37 0.00 0.00 175.52 176.91 1fq3 n MET 242 N -4.23 0.13 0.00 6.66 0.00 -1.07 -0.45 117.12 118.16 1fq3 n MET 242 Ca 0.09 0.62 0.00 0.00 0.00 0.00 0.00 57.70 58.42 1fq3 n MET 242 Cb 0.61 -1.99 0.00 0.00 0.00 0.00 0.00 33.22 31.84 1fq3 n MET 242 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1fq3 n LYS 243 N -2.21 0.90 0.00 2.12 3.00 0.47 -4.72 118.16 117.73 1fq3 n LYS 243 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1fq3 n LYS 243 Cb 0.10 -1.13 0.00 0.00 0.00 0.00 0.00 35.03 34.01 1fq3 n LYS 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1fq3 n ARG 244 N 0.45 0.00 0.00 1.64 1.74 0.41 -5.16 116.66 115.74 1fq3 n ARG 244 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1fq3 n ARG 244 Cb 0.41 -2.77 0.00 0.00 -1.02 0.00 0.00 32.46 29.07 1fq3 n ARG 244 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77