#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 3.95 0.00 1.39 1.01 -0.78 -3.42 121.20 123.35 1fq3 s ILE 17 Ca 0.00 1.50 0.00 0.00 0.00 0.00 0.00 60.65 62.15 1fq3 s ILE 17 Cb 0.00 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.51 1fq3 s ILE 17 CO 0.00 0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.72 1fq3 n GLY 18 N 2.75 0.75 0.00 6.18 0.00 -1.26 -1.62 105.19 111.98 1fq3 n GLY 18 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.39 2.60 3.10 -0.02 0.00 -1.22 -4.75 105.19 102.51 1fq3 n GLY 19 Ca 0.00 -2.09 -0.08 0.00 0.00 0.00 0.00 46.02 43.86 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 1.32 0.60 0.39 1.61 -3.43 -1.04 -4.99 115.29 109.74 1fq3 s HIS 20 Ca 0.00 -1.11 -0.24 0.00 -0.80 0.00 0.00 55.06 52.91 1fq3 s HIS 20 Cb 0.00 -0.41 -0.12 0.00 -1.43 0.00 0.00 32.58 30.62 1fq3 s HIS 20 CO 0.00 -0.41 0.82 -1.91 -2.00 0.00 0.00 174.74 171.24 1fq3 n GLU 21 N 0.06 0.99 -3.30 -0.38 2.13 -1.26 -2.54 120.64 116.35 1fq3 n GLU 21 Ca -0.12 0.36 -0.30 0.00 0.66 0.00 0.00 57.16 57.76 1fq3 n GLU 21 Cb 0.62 -1.76 -0.04 0.00 0.27 0.00 0.00 31.44 30.53 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 -1.30 3.58 0.12 4.31 0.00 -1.26 -4.75 121.76 122.46 1fq3 s ALA 22 Ca 0.63 -0.45 -0.31 0.00 0.00 0.00 0.00 51.96 51.82 1fq3 s ALA 22 Cb -0.62 -2.38 -0.08 0.00 0.00 0.00 0.00 23.12 20.05 1fq3 s ALA 22 CO 0.58 0.28 1.34 0.21 0.00 0.00 0.00 175.76 178.16 1fq3 s LYS 23 N -3.41 4.36 0.39 0.00 2.20 -1.26 -4.91 119.74 117.10 1fq3 s LYS 23 Ca 0.46 2.01 -0.22 0.00 -0.36 0.00 0.00 55.97 57.85 1fq3 s LYS 23 Cb -0.11 -3.26 -0.15 0.00 -1.51 0.00 0.00 37.83 32.80 1fq3 s LYS 23 CO 0.28 -0.37 0.26 -2.30 -0.36 0.00 0.00 175.35 172.86 1fq3 n PRO 24 N 3.72 0.17 -4.02 4.03 -0.02 -1.26 -1.48 135.00 136.14 1fq3 n PRO 24 Ca 0.10 0.06 -0.27 0.00 -2.02 0.00 0.00 63.50 61.37 1fq3 n PRO 24 Cb 0.43 -1.15 -0.08 0.00 -0.02 0.00 0.00 33.50 32.68 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 -0.89 -1.05 0.25 6.00 8.25 -1.26 -4.77 115.22 121.75 1fq3 n HIS 25 Ca 0.12 0.52 0.05 0.00 -0.26 0.00 0.00 57.72 58.15 1fq3 n HIS 25 Cb 0.39 -2.28 -0.07 0.00 1.12 0.00 0.00 29.99 29.14 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 -2.33 1.51 -3.47 0.41 3.41 -0.55 -4.69 113.62 107.90 1fq3 n SER 26 Ca -0.25 -0.38 -0.27 0.00 -0.26 0.00 0.00 58.87 57.72 1fq3 n SER 26 Cb 0.57 1.24 -0.09 0.00 -0.26 0.00 0.00 64.21 65.67 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 -1.55 1.16 0.19 4.33 1.74 -1.26 -4.99 116.66 116.28 1fq3 n ARG 27 Ca 0.00 -3.79 0.13 0.00 -0.77 0.00 0.00 57.85 53.42 1fq3 n ARG 27 Cb 0.22 -1.82 0.70 0.00 -1.02 0.00 0.00 32.46 30.54 1fq3 n ARG 27 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1fq3 h PRO 28 N 4.90 0.00 0.00 5.56 0.13 -1.84 -2.44 132.00 138.32 1fq3 h PRO 28 Ca 0.18 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.24 1fq3 h PRO 28 Cb 0.82 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.94 1fq3 h PRO 28 CO 0.57 0.00 -0.33 0.10 -0.23 0.00 0.00 178.00 178.11 1fq3 h TYR 29 N 0.00 0.00 -1.78 1.56 -0.00 -1.70 -2.79 116.97 112.25 1fq3 h TYR 29 Ca 0.08 0.00 -0.67 0.00 0.00 0.00 0.00 58.73 58.14 1fq3 h TYR 29 Cb 0.33 0.00 0.04 0.00 0.00 0.00 0.00 36.73 37.10 1fq3 h TYR 29 CO 0.00 0.33 0.70 -0.12 -0.00 0.00 0.00 178.16 179.07 1fq3 n MET 30 N -3.50 1.43 -4.64 0.10 1.56 -0.92 -0.72 117.12 110.42 1fq3 n MET 30 Ca -0.00 0.52 -0.22 0.00 -0.27 0.00 0.00 57.70 57.72 1fq3 n MET 30 Cb 0.48 -2.22 -0.15 0.00 2.15 0.00 0.00 33.22 33.49 1fq3 n MET 30 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1fq3 s ALA 31 N 1.72 1.16 -0.03 -5.12 0.00 0.46 -4.25 121.76 115.71 1fq3 s ALA 31 Ca 0.88 -0.59 -0.02 0.00 0.00 0.00 0.00 51.96 52.23 1fq3 s ALA 31 Cb -0.91 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 1fq3 s ALA 31 CO 0.51 0.28 0.08 -0.47 0.00 0.00 0.00 175.76 176.15 1fq3 s TYR 32 N -0.28 3.31 0.42 0.00 5.04 -0.90 -1.21 117.35 123.74 1fq3 s TYR 32 Ca 0.04 0.25 0.06 0.00 -2.44 0.00 0.00 57.07 54.99 1fq3 s TYR 32 Cb -0.06 -1.78 -0.07 0.00 0.35 0.00 0.00 41.96 40.41 1fq3 s TYR 32 CO -0.00 0.56 0.02 -0.51 -1.34 0.00 0.00 175.55 174.28 1fq3 s LEU 33 N -1.50 2.82 -0.30 6.97 1.02 -0.32 -1.37 118.68 126.00 1fq3 s LEU 33 Ca 0.20 -1.38 -0.07 0.00 0.02 0.00 0.00 54.13 52.90 1fq3 s LEU 33 Cb -0.12 -0.92 0.18 0.00 0.02 0.00 0.00 46.19 45.35 1fq3 s LEU 33 CO 0.11 -0.51 0.82 -0.32 0.02 0.00 0.00 176.35 176.47 1fq3 s MET 34 N -3.75 0.38 0.27 1.70 1.75 -1.24 -3.52 119.30 114.89 1fq3 s MET 34 Ca 0.32 0.66 0.12 0.00 -1.25 0.00 0.00 55.69 55.54 1fq3 s MET 34 Cb 0.08 0.36 -0.05 0.00 2.84 0.00 0.00 34.83 38.07 1fq3 s MET 34 CO 0.16 -0.42 -0.20 0.96 -0.65 0.00 0.00 175.02 174.87 1fq3 s ILE 35 N 2.91 2.44 -0.09 10.11 -4.36 0.58 -2.67 121.20 130.12 1fq3 s ILE 35 Ca 0.10 -2.38 -0.01 0.00 -0.26 0.00 0.00 60.65 58.11 1fq3 s ILE 35 Cb -0.12 -2.28 0.03 0.00 1.25 0.00 0.00 42.46 41.33 1fq3 s ILE 35 CO -0.16 -0.39 -0.04 0.86 0.24 0.00 0.00 174.94 175.44 1fq3 s TRP 36 N -2.48 1.12 -0.27 1.37 -0.00 -1.19 -0.23 118.94 117.25 1fq3 s TRP 36 Ca 0.29 -0.48 -0.04 0.00 -0.00 0.00 0.00 56.10 55.88 1fq3 s TRP 36 Cb -0.05 -1.03 0.09 0.00 -0.00 0.00 0.00 33.47 32.49 1fq3 s TRP 36 CO 0.14 -0.42 0.12 0.16 -0.00 0.00 0.00 176.95 176.96 1fq3 s ASP 37 N 1.74 3.43 0.19 5.86 3.84 -1.16 -0.42 116.67 130.15 1fq3 s ASP 37 Ca 0.04 -1.23 0.00 0.00 -0.00 0.00 0.00 52.55 51.35 1fq3 s ASP 37 Cb -0.13 -0.41 0.00 0.00 -1.38 0.00 0.00 42.92 41.01 1fq3 s ASP 37 CO -0.06 -0.42 0.00 0.00 -0.00 0.00 0.00 175.17 174.69 1fq3 n GLN 37 N 5.20 -1.16 0.00 2.11 6.02 -1.26 -4.15 117.38 124.14 1fq3 n GLN 37 Ca -0.06 0.93 0.00 0.00 -0.01 0.00 0.00 57.00 57.86 1fq3 n GLN 37 Cb 0.43 -1.25 0.00 0.00 1.02 0.00 0.00 30.24 30.44 1fq3 n GLN 37 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1fq3 n LYS 37 N -2.36 0.00 -2.57 -1.09 4.76 -1.26 -4.65 118.16 110.99 1fq3 n LYS 37 Ca -0.02 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.15 1fq3 n LYS 37 Cb 0.19 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.38 1fq3 n LYS 37 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1fq3 s SER 38 N -3.02 6.21 0.34 4.39 0.01 -1.26 -5.07 113.70 115.30 1fq3 s SER 38 Ca 0.00 0.94 -0.15 0.00 1.31 0.00 0.00 55.95 58.05 1fq3 s SER 38 Cb 0.00 -2.22 -0.09 0.00 0.21 0.00 0.00 66.02 63.92 1fq3 s SER 38 CO 0.00 -0.63 0.76 -0.76 0.41 0.00 0.00 173.24 173.01 1fq3 s LEU 39 N -4.79 4.04 -0.27 2.44 1.43 -1.26 -3.00 118.68 117.27 1fq3 s LEU 39 Ca 0.48 1.32 -0.07 0.00 -1.03 0.00 0.00 54.13 54.83 1fq3 s LEU 39 Cb -0.10 -4.13 0.13 0.00 0.03 0.00 0.00 46.19 42.12 1fq3 s LEU 39 CO 0.45 -0.23 0.57 -0.75 0.23 0.00 0.00 176.35 176.62 1fq3 s LYS 40 N -3.04 0.50 0.20 1.70 2.47 0.67 -4.95 119.74 117.30 1fq3 s LYS 40 Ca 0.55 1.19 0.02 0.00 -1.56 0.00 0.00 55.97 56.18 1fq3 s LYS 40 Cb -0.10 0.58 -0.04 0.00 -1.46 0.00 0.00 37.83 36.82 1fq3 s LYS 40 CO 0.17 -0.34 0.35 1.03 0.16 0.00 0.00 175.35 176.72 1fq3 s ARG 41 N 2.80 3.46 0.30 4.03 0.52 -1.26 0.21 118.95 129.01 1fq3 s ARG 41 Ca 0.02 -0.57 -0.17 0.00 -0.52 0.00 0.00 55.73 54.49 1fq3 s ARG 41 Cb -0.13 -2.90 0.02 0.00 0.52 0.00 0.00 34.95 32.47 1fq3 s ARG 41 CO -0.18 0.44 0.67 0.00 0.02 0.00 0.00 175.30 176.26 1fq3 s GLY 43 N -2.99 2.02 -0.26 0.00 0.00 0.14 -1.18 107.32 105.06 1fq3 s GLY 43 Ca 0.15 -1.83 -0.36 0.00 0.00 0.00 0.00 44.72 42.69 1fq3 s GLY 43 CO 0.09 -1.69 1.32 -0.32 0.00 0.00 0.00 173.10 172.50 1fq3 s GLY 44 N -4.02 -0.17 -0.01 0.20 0.00 -0.35 -3.17 107.32 99.81 1fq3 s GLY 44 Ca 0.43 2.01 0.04 0.00 0.00 0.00 0.00 44.72 47.20 1fq3 s GLY 44 CO 0.26 0.71 -0.14 -0.11 0.00 0.00 0.00 173.10 173.82 1fq3 s PHE 45 N -1.93 1.23 -0.25 1.90 -0.71 -0.99 0.17 117.98 117.40 1fq3 s PHE 45 Ca 0.10 -0.24 -0.29 0.00 -1.04 0.00 0.00 56.93 55.46 1fq3 s PHE 45 Cb -0.01 -0.79 -0.01 0.00 -1.21 0.00 0.00 43.02 41.00 1fq3 s PHE 45 CO -0.04 -0.02 1.42 -1.17 -1.34 0.00 0.00 175.22 174.07 1fq3 s LEU 46 N -0.40 3.92 0.00 -1.99 2.96 0.10 -1.85 118.68 121.42 1fq3 s LEU 46 Ca 0.05 1.42 0.20 0.00 -0.22 0.00 0.00 54.13 55.58 1fq3 s LEU 46 Cb -0.06 -3.54 -0.19 0.00 0.50 0.00 0.00 46.19 42.91 1fq3 s LEU 46 CO -0.00 -1.11 0.87 2.30 -1.32 0.00 0.00 176.35 177.08 1fq3 n ILE 47 N 6.19 0.00 -3.65 6.68 -5.35 -0.98 -0.45 119.36 121.80 1fq3 n ILE 47 Ca 0.16 -0.06 -0.03 0.00 -0.27 0.00 0.00 62.75 62.54 1fq3 n ILE 47 Cb 0.46 1.03 -0.07 0.00 -1.74 0.00 0.00 39.64 39.32 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 -2.80 0.18 0.15 6.28 0.74 -1.06 -4.59 119.66 118.57 1fq3 s GLN 48 Ca 0.09 0.24 0.11 0.00 0.05 0.00 0.00 55.36 55.85 1fq3 s GLN 48 Cb 0.15 0.08 0.53 0.00 1.10 0.00 0.00 33.01 34.88 1fq3 s GLN 48 CO 0.78 -0.03 0.58 -0.25 -0.55 0.00 0.00 175.29 175.82 1fq3 n ASP 49 N 2.13 0.09 -0.04 6.67 8.00 -1.26 0.97 116.55 133.10 1fq3 n ASP 49 Ca -0.13 0.54 0.02 0.00 0.71 0.00 0.00 54.79 55.93 1fq3 n ASP 49 Cb 0.57 -0.26 -0.16 0.00 -0.02 0.00 0.00 41.12 41.24 1fq3 n ASP 49 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1fq3 n ASP 50 N -3.51 0.04 -4.48 -2.24 4.64 -1.26 -1.04 116.55 108.70 1fq3 n ASP 50 Ca 0.15 0.02 -0.28 0.00 -1.38 0.00 0.00 54.79 53.29 1fq3 n ASP 50 Cb 0.55 1.50 -0.11 0.00 -1.04 0.00 0.00 41.12 42.01 1fq3 n ASP 50 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 1fq3 s PHE 51 N -3.07 2.48 -0.27 -0.67 0.40 0.27 0.85 117.98 117.98 1fq3 s PHE 51 Ca -0.09 -0.29 -0.03 0.00 -0.60 0.00 0.00 56.93 55.93 1fq3 s PHE 51 Cb 0.10 -1.27 0.09 0.00 0.51 0.00 0.00 43.02 42.45 1fq3 s PHE 51 CO 0.87 0.44 0.10 0.14 0.70 0.00 0.00 175.22 177.47 1fq3 s VAL 52 N -1.40 0.37 0.55 -0.44 -7.23 -1.05 -2.33 120.40 108.88 1fq3 s VAL 52 Ca 0.20 -0.89 -0.21 0.00 -1.81 0.00 0.00 61.98 59.27 1fq3 s VAL 52 Cb -0.09 -1.19 -0.05 0.00 0.56 0.00 0.00 36.38 35.61 1fq3 s VAL 52 CO 0.11 -0.57 1.32 -0.11 -0.31 0.00 0.00 175.10 175.54 1fq3 n LEU 53 N 5.07 5.38 0.00 1.32 -0.00 -0.77 -3.53 117.00 124.47 1fq3 n LEU 53 Ca -0.05 0.96 -0.03 0.00 -0.00 0.00 0.00 56.01 56.89 1fq3 n LEU 53 Cb 0.44 -1.56 0.02 0.00 -0.00 0.00 0.00 43.42 42.32 1fq3 n LEU 53 CO 0.09 -0.72 0.72 1.07 -0.00 0.00 0.00 177.39 178.54 1fq3 n THR 54 N -1.13 0.00 -2.76 1.96 5.66 -1.23 -2.35 114.28 114.43 1fq3 n THR 54 Ca 0.11 -0.50 -0.42 0.00 -3.05 0.00 0.00 64.05 60.19 1fq3 n THR 54 Cb 0.45 0.69 -0.03 0.00 -1.55 0.00 0.00 70.33 69.88 1fq3 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1fq3 s ALA 55 N -1.91 3.51 0.30 1.79 0.00 -1.26 0.16 121.76 124.34 1fq3 s ALA 55 Ca 0.20 0.20 0.05 0.00 0.00 0.00 0.00 51.96 52.41 1fq3 s ALA 55 Cb -0.03 -3.39 0.69 0.00 0.00 0.00 0.00 23.12 20.40 1fq3 s ALA 55 CO 0.05 -0.73 1.79 0.00 0.00 0.00 0.00 175.76 176.88 1fq3 h ALA 56 N 7.27 1.64 0.00 0.00 0.00 -1.72 0.29 119.26 126.73 1fq3 h ALA 56 Ca -0.28 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1fq3 h ALA 56 Cb 1.12 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1fq3 h ALA 56 CO 0.88 0.02 0.00 -2.39 0.00 0.00 0.00 179.25 177.76 1fq3 n HIS 57 N -4.72 0.00 -0.48 0.00 1.44 -1.26 -1.14 115.22 109.06 1fq3 n HIS 57 Ca 0.22 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 56.01 1fq3 n HIS 57 Cb 0.52 0.00 0.26 0.00 0.12 0.00 0.00 29.99 30.89 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 -1.56 2.86 0.12 0.00 -0.11 -0.29 -4.84 118.94 115.12 1fq3 s TRP 59 Ca 0.39 1.53 -0.20 0.00 1.22 0.00 0.00 56.10 59.05 1fq3 s TRP 59 Cb 0.24 -3.09 0.05 0.00 -1.50 0.00 0.00 33.47 29.17 1fq3 s TRP 59 CO 0.20 -1.27 0.49 0.20 -4.62 0.00 0.00 176.95 171.96 1fq3 s GLY 60 N -2.49 -0.43 0.33 5.86 0.00 -1.26 -4.84 107.32 104.50 1fq3 s GLY 60 Ca 0.66 0.28 0.11 0.00 0.00 0.00 0.00 44.72 45.76 1fq3 s GLY 60 CO 0.34 -0.02 1.75 0.23 0.00 0.00 0.00 173.10 175.41 1fq3 h SER 61 N 2.33 0.65 -3.12 1.64 0.87 -1.13 -3.40 113.55 111.40 1fq3 h SER 61 Ca -0.33 0.11 -0.21 0.00 -1.23 0.00 0.00 61.79 60.13 1fq3 h SER 61 Cb 1.27 0.00 -0.31 0.00 -0.44 0.00 0.00 62.40 62.92 1fq3 h SER 61 CO 0.43 0.15 -0.52 -0.55 -0.53 0.00 0.00 176.83 175.81 1fq3 s SER 63 N -5.29 0.09 0.25 6.23 0.15 -1.22 -5.04 113.70 108.88 1fq3 s SER 63 Ca -0.10 0.53 0.10 0.00 0.70 0.00 0.00 55.95 57.18 1fq3 s SER 63 Cb 0.26 0.52 -0.04 0.00 -1.71 0.00 0.00 66.02 65.05 1fq3 s SER 63 CO 0.80 -0.20 -0.06 -0.63 1.20 0.00 0.00 173.24 174.35 1fq3 s ILE 64 N 1.85 3.22 -0.12 6.45 1.01 -1.26 -3.18 121.20 129.17 1fq3 s ILE 64 Ca -0.04 -1.96 -0.04 0.00 0.00 0.00 0.00 60.65 58.61 1fq3 s ILE 64 Cb -0.11 -2.69 0.06 0.00 0.01 0.00 0.00 42.46 39.72 1fq3 s ILE 64 CO -0.08 -0.33 0.13 0.20 0.00 0.00 0.00 174.94 174.86 1fq3 s ASN 65 N -3.49 1.32 0.45 3.58 0.01 -1.09 -2.12 114.94 113.60 1fq3 s ASN 65 Ca 0.30 -0.04 -0.20 0.00 -0.71 0.00 0.00 52.86 52.21 1fq3 s ASN 65 Cb -0.07 0.09 -0.10 0.00 0.41 0.00 0.00 41.25 41.59 1fq3 s ASN 65 CO 0.18 -0.29 0.97 0.68 -1.51 0.00 0.00 177.10 177.14 1fq3 s VAL 66 N 2.24 4.27 -0.36 1.60 -7.23 0.85 -3.62 120.40 118.15 1fq3 s VAL 66 Ca 0.04 1.37 0.02 0.00 -1.81 0.00 0.00 61.98 61.60 1fq3 s VAL 66 Cb -0.14 -3.58 0.15 0.00 0.56 0.00 0.00 36.38 33.38 1fq3 s VAL 66 CO -0.07 -0.35 0.35 -0.89 -0.31 0.00 0.00 175.10 173.83 1fq3 s THR 67 N -2.19 -0.29 0.04 5.32 2.01 -0.47 -1.51 115.64 118.55 1fq3 s THR 67 Ca 0.63 -1.01 0.04 0.00 0.31 0.00 0.00 61.69 61.66 1fq3 s THR 67 Cb -0.11 -0.77 -0.04 0.00 0.01 0.00 0.00 72.50 71.60 1fq3 s THR 67 CO 0.17 -0.62 -0.03 -1.48 -0.69 0.00 0.00 174.62 171.97 1fq3 s LEU 68 N 1.51 3.34 0.00 4.42 2.34 -1.17 -2.11 118.68 127.01 1fq3 s LEU 68 Ca 0.16 -0.14 0.00 0.00 0.06 0.00 0.00 54.13 54.21 1fq3 s LEU 68 Cb -0.16 -1.99 0.00 0.00 -0.56 0.00 0.00 46.19 43.48 1fq3 s LEU 68 CO -0.07 0.24 0.00 0.61 -1.06 0.00 0.00 176.35 176.07 1fq3 n GLY 69 N 1.12 0.72 3.08 -3.48 0.00 -1.26 -0.78 105.19 104.59 1fq3 n GLY 69 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.00 1.93 -1.97 4.61 0.00 -1.26 -4.34 121.76 118.73 1fq3 s ALA 70 Ca 0.00 -0.91 0.31 0.00 0.00 0.00 0.00 51.96 51.36 1fq3 s ALA 70 Cb 0.00 -0.97 1.78 0.00 0.00 0.00 0.00 23.12 23.94 1fq3 s ALA 70 CO 0.00 -0.18 2.16 -2.39 0.00 0.00 0.00 175.76 175.35 1fq3 n HIS 71 N 4.38 0.00 -3.69 0.00 1.44 -1.26 -4.41 115.22 111.67 1fq3 n HIS 71 Ca -0.19 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.23 1fq3 n HIS 71 Cb 0.51 -0.03 -0.16 0.00 0.12 0.00 0.00 29.99 30.43 1fq3 n HIS 71 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 1fq3 s ASN 72 N -2.07 3.46 0.00 4.39 3.04 -1.26 -0.96 114.94 121.53 1fq3 s ASN 72 Ca 0.45 -1.22 0.11 0.00 0.04 0.00 0.00 52.86 52.23 1fq3 s ASN 72 Cb 0.22 -0.65 0.46 0.00 -1.54 0.00 0.00 41.25 39.74 1fq3 s ASN 72 CO 0.38 -0.37 1.32 2.30 -3.04 0.00 0.00 177.10 177.69 1fq3 n ILE 73 N 5.01 0.15 -0.04 -5.21 -5.35 -0.89 -4.12 119.36 108.92 1fq3 n ILE 73 Ca -0.06 -0.18 -0.08 0.00 -0.27 0.00 0.00 62.75 62.16 1fq3 n ILE 73 Cb 0.44 0.05 -0.03 0.00 -1.74 0.00 0.00 39.64 38.37 1fq3 n ILE 73 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1fq3 n LYS 74 N -0.17 0.17 -0.56 6.28 4.76 -1.26 -4.99 118.16 122.39 1fq3 n LYS 74 Ca 0.09 0.07 -0.30 0.00 -2.87 0.00 0.00 58.31 55.30 1fq3 n LYS 74 Cb 0.14 -0.79 0.27 0.00 -1.84 0.00 0.00 35.03 32.82 1fq3 n LYS 74 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1fq3 s GLU 75 N -2.15 -2.35 -0.58 1.97 2.12 -1.26 -4.96 118.70 111.49 1fq3 s GLU 75 Ca -0.11 0.16 0.06 0.00 0.36 0.00 0.00 54.97 55.44 1fq3 s GLU 75 Cb 0.04 -1.44 0.22 0.00 0.26 0.00 0.00 34.13 33.21 1fq3 s GLU 75 CO 0.14 -4.50 0.59 0.94 -0.54 0.00 0.00 175.26 171.89 1fq3 n GLN 76 N -5.37 1.71 -1.57 4.30 -0.06 -1.26 -4.97 117.38 110.17 1fq3 n GLN 76 Ca 0.12 -4.15 -0.41 0.00 -2.00 0.00 0.00 57.00 50.55 1fq3 n GLN 76 Cb 0.59 -1.97 0.01 0.00 -4.06 0.00 0.00 30.24 24.81 1fq3 n GLN 76 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1fq3 n GLU 77 N 1.45 1.10 0.23 3.69 1.02 -1.26 -4.86 120.64 122.01 1fq3 n GLU 77 Ca 0.26 0.40 0.14 0.00 -0.02 0.00 0.00 57.16 57.93 1fq3 n GLU 77 Cb 0.43 -1.88 0.42 0.00 -0.02 0.00 0.00 31.44 30.38 1fq3 n GLU 77 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1fq3 h PRO 78 N 1.29 0.00 0.00 3.49 0.13 -1.98 -3.09 132.00 131.85 1fq3 h PRO 78 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1fq3 h PRO 78 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1fq3 h PRO 78 CO 0.55 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.57 1fq3 n THR 79 N -2.96 0.46 -1.18 1.56 -2.24 -1.26 -4.86 114.28 103.80 1fq3 n THR 79 Ca 0.03 0.11 -0.35 0.00 -2.27 0.00 0.00 64.05 61.58 1fq3 n THR 79 Cb 0.41 -0.87 0.11 0.00 -2.10 0.00 0.00 70.33 67.88 1fq3 n THR 79 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1fq3 n GLN 80 N -1.23 0.26 -3.20 -0.78 7.27 -1.17 -4.64 117.38 113.90 1fq3 n GLN 80 Ca 0.08 0.15 -0.20 0.00 0.07 0.00 0.00 57.00 57.10 1fq3 n GLN 80 Cb 0.11 -2.23 -0.07 0.00 2.41 0.00 0.00 30.24 30.46 1fq3 n GLN 80 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1fq3 s GLN 81 N -3.62 0.95 -0.46 3.69 -0.21 0.04 -4.97 119.66 115.08 1fq3 s GLN 81 Ca 0.71 -1.80 -0.28 0.00 0.02 0.00 0.00 55.36 54.01 1fq3 s GLN 81 Cb -0.31 -1.00 0.00 0.00 1.00 0.00 0.00 33.01 32.70 1fq3 s GLN 81 CO 0.53 -1.37 1.55 0.12 -2.12 0.00 0.00 175.29 174.00 1fq3 s PHE 82 N 0.30 2.15 -0.08 0.91 5.36 -1.26 -3.05 117.98 122.31 1fq3 s PHE 82 Ca 0.32 0.61 0.02 0.00 -0.96 0.00 0.00 56.93 56.93 1fq3 s PHE 82 Cb 0.03 -4.27 0.01 0.00 -0.34 0.00 0.00 43.02 38.45 1fq3 s PHE 82 CO -0.16 -2.23 -0.15 0.42 -1.46 0.00 0.00 175.22 171.65 1fq3 s ILE 83 N 6.36 1.42 0.12 3.12 1.09 -0.57 -5.00 121.20 127.74 1fq3 s ILE 83 Ca 0.63 -0.63 -0.30 0.00 -1.10 0.00 0.00 60.65 59.25 1fq3 s ILE 83 Cb -0.14 -1.28 -0.06 0.00 -1.06 0.00 0.00 42.46 39.92 1fq3 s ILE 83 CO 0.29 0.42 1.06 -2.84 -0.10 0.00 0.00 174.94 173.77 1fq3 s PRO 84 N 0.69 4.60 0.03 2.79 0.02 -1.26 -0.11 135.00 141.75 1fq3 s PRO 84 Ca -0.13 1.61 -0.30 0.00 0.02 0.00 0.00 61.00 62.19 1fq3 s PRO 84 Cb -0.16 -3.34 -0.06 0.00 0.02 0.00 0.00 34.50 30.96 1fq3 s PRO 84 CO 0.03 0.05 1.47 0.54 -0.33 0.00 0.00 177.00 178.76 1fq3 s VAL 85 N 0.19 3.49 -0.11 3.83 0.11 -0.90 -0.20 120.40 126.81 1fq3 s VAL 85 Ca 0.50 0.92 -0.12 0.00 -2.93 0.00 0.00 61.98 60.35 1fq3 s VAL 85 Cb -0.27 -3.59 -0.27 0.00 -1.53 0.00 0.00 36.38 30.73 1fq3 s VAL 85 CO 0.32 0.00 0.49 0.50 -3.33 0.00 0.00 175.10 173.08 1fq3 h LYS 86 N 7.87 0.26 -3.87 1.54 3.64 0.48 -3.43 116.57 123.06 1fq3 h LYS 86 Ca -0.39 -0.45 -0.54 0.00 -1.27 0.00 0.00 60.65 57.99 1fq3 h LYS 86 Cb 1.19 0.17 -0.39 0.00 -0.41 0.00 0.00 32.23 32.78 1fq3 h LYS 86 CO 0.91 1.21 -0.77 1.03 -2.27 0.00 0.00 179.45 179.56 1fq3 s ARG 87 N -2.51 1.04 -0.56 1.90 0.52 -0.92 -4.95 118.95 113.48 1fq3 s ARG 87 Ca -0.21 -0.56 -0.21 0.00 -0.52 0.00 0.00 55.73 54.24 1fq3 s ARG 87 Cb 0.05 -2.16 0.07 0.00 0.52 0.00 0.00 34.95 33.43 1fq3 s ARG 87 CO 0.77 -0.57 0.77 -1.25 0.02 0.00 0.00 175.30 175.03 1fq3 s PRO 88 N 1.70 3.15 -0.87 3.54 0.04 -1.26 0.90 135.00 142.20 1fq3 s PRO 88 Ca -0.02 -0.83 -0.11 0.00 0.04 0.00 0.00 61.00 60.08 1fq3 s PRO 88 Cb -0.17 -4.14 0.23 0.00 0.04 0.00 0.00 34.50 30.45 1fq3 s PRO 88 CO -0.07 -1.44 0.81 0.42 0.04 0.00 0.00 177.00 176.75 1fq3 s ILE 89 N 3.16 5.40 1.15 0.56 1.01 0.61 -4.95 121.20 128.14 1fq3 s ILE 89 Ca 0.19 -2.83 -0.19 0.00 0.00 0.00 0.00 60.65 57.82 1fq3 s ILE 89 Cb -0.18 -4.33 0.27 0.00 0.01 0.00 0.00 42.46 38.23 1fq3 s ILE 89 CO 0.12 -1.05 1.16 -2.16 0.00 0.00 0.00 174.94 173.01 1fq3 s PRO 90 N -0.28 -0.85 -0.03 2.79 0.04 -1.26 -1.26 135.00 134.16 1fq3 s PRO 90 Ca 0.21 -0.15 -0.19 0.00 0.04 0.00 0.00 61.00 60.91 1fq3 s PRO 90 Cb -0.11 -1.65 -0.05 0.00 0.04 0.00 0.00 34.50 32.73 1fq3 s PRO 90 CO -0.08 -3.45 0.54 -1.58 0.04 0.00 0.00 177.00 172.47 1fq3 s HIS 91 N -3.20 3.66 0.22 0.56 2.46 -0.79 -4.82 115.29 113.38 1fq3 s HIS 91 Ca 0.72 1.10 -0.18 0.00 0.47 0.00 0.00 55.06 57.17 1fq3 s HIS 91 Cb -0.08 -2.54 0.21 0.00 -0.13 0.00 0.00 32.58 30.04 1fq3 s HIS 91 CO 0.55 0.36 1.56 -1.00 -2.47 0.00 0.00 174.74 173.74 1fq3 h PRO 92 N 5.70 -0.04 0.00 2.88 0.13 -1.93 -0.37 132.00 138.38 1fq3 h PRO 92 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 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 -0.02 0.00 0.00 -0.23 0.00 0.00 178.00 178.44 1fq3 n ALA 93 N -3.40 2.42 -1.57 -0.56 0.00 -1.26 -4.89 120.51 111.25 1fq3 n ALA 93 Ca 0.09 -0.15 -0.55 0.00 0.00 0.00 0.00 53.44 52.82 1fq3 n ALA 93 Cb 0.39 -1.43 -0.07 0.00 0.00 0.00 0.00 19.45 18.34 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 -1.12 1.24 -3.60 0.00 -0.00 -0.15 -4.47 117.16 109.07 1fq3 n TYR 94 Ca 0.17 0.80 -0.29 0.00 -0.00 0.00 0.00 57.90 58.58 1fq3 n TYR 94 Cb 0.14 -2.25 -0.13 0.00 -0.00 0.00 0.00 39.34 37.11 1fq3 n TYR 94 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.86 178.07 1fq3 s ASN 95 N 0.60 3.32 0.93 2.98 3.84 -1.26 -4.94 114.94 120.40 1fq3 s ASN 95 Ca 0.88 -2.45 -0.08 0.00 0.21 0.00 0.00 52.86 51.42 1fq3 s ASN 95 Cb -1.09 -0.75 0.13 0.00 -0.55 0.00 0.00 41.25 38.98 1fq3 s ASN 95 CO 0.53 -0.28 0.29 -0.81 -2.79 0.00 0.00 177.10 174.04 1fq3 n PRO 96 N 3.74 -1.74 -1.23 0.43 -0.04 -1.26 -0.17 135.00 134.73 1fq3 n PRO 96 Ca 0.11 -0.49 -0.11 0.00 -0.04 0.00 0.00 63.50 62.97 1fq3 n PRO 96 Cb 0.36 -0.79 -0.05 0.00 -0.04 0.00 0.00 33.50 32.98 1fq3 n PRO 96 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1fq3 n LYS 97 N -2.22 -1.43 0.00 0.54 2.85 -1.26 -3.84 118.16 112.80 1fq3 n LYS 97 Ca 0.05 0.68 0.00 0.00 -1.05 0.00 0.00 58.31 57.99 1fq3 n LYS 97 Cb 0.20 -4.83 0.00 0.00 -0.65 0.00 0.00 35.03 29.75 1fq3 n LYS 97 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1fq3 n ASN 98 N -0.30 0.00 -2.76 -5.58 2.85 -1.12 -5.03 115.26 103.31 1fq3 n ASN 98 Ca -0.11 0.00 -0.20 0.00 -0.11 0.00 0.00 54.58 54.16 1fq3 n ASN 98 Cb 0.41 0.00 0.04 0.00 1.24 0.00 0.00 39.78 41.47 1fq3 n ASN 98 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1fq3 n PHE 99 N -0.25 -1.86 0.00 1.20 3.01 0.77 -4.78 117.46 115.55 1fq3 n PHE 99 Ca 0.00 0.53 0.00 0.00 1.01 0.00 0.00 57.45 58.99 1fq3 n PHE 99 Cb 0.00 -4.18 0.00 0.00 -0.01 0.00 0.00 39.48 35.29 1fq3 n PHE 99 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1fq3 n SER 100 N -2.08 0.00 -3.54 4.37 7.64 -1.11 -3.45 113.62 115.45 1fq3 n SER 100 Ca -0.09 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.41 1fq3 n SER 100 Cb 0.60 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.77 1fq3 n SER 100 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1fq3 n ASN 101 N 0.00 4.38 -4.58 6.43 4.13 -1.26 -4.84 115.26 119.52 1fq3 n ASN 101 Ca 0.00 -2.66 -0.22 0.00 1.68 0.00 0.00 54.58 53.38 1fq3 n ASN 101 Cb 0.00 -1.38 -0.08 0.00 -1.54 0.00 0.00 39.78 36.78 1fq3 n ASN 101 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1fq3 s ASP 102 N 3.65 4.32 -0.23 6.41 3.68 -1.22 -4.47 116.67 128.81 1fq3 s ASP 102 Ca 0.53 -1.17 -0.11 0.00 2.13 0.00 0.00 52.55 53.93 1fq3 s ASP 102 Cb 0.14 -2.59 0.08 0.00 -1.45 0.00 0.00 42.92 39.11 1fq3 s ASP 102 CO -0.01 -3.77 0.54 -0.51 0.13 0.00 0.00 175.17 171.55 1fq3 s ILE 103 N 13.58 -0.32 0.17 4.11 2.07 -1.26 -4.10 121.20 135.45 1fq3 s ILE 103 Ca 0.76 0.06 0.01 0.00 -1.41 0.00 0.00 60.65 60.07 1fq3 s ILE 103 Cb -0.04 -0.81 0.01 0.00 0.13 0.00 0.00 42.46 41.76 1fq3 s ILE 103 CO 0.13 0.03 0.12 0.80 -1.91 0.00 0.00 174.94 174.11 1fq3 n MET 104 N 4.73 1.27 -3.11 3.50 0.00 0.41 -1.88 117.12 122.04 1fq3 n MET 104 Ca -0.17 -1.10 0.03 0.00 -0.00 0.00 0.00 57.70 56.46 1fq3 n MET 104 Cb 0.54 0.14 -0.00 0.00 0.00 0.00 0.00 33.22 33.89 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 -1.17 0.21 -0.89 0.20 -0.39 -3.48 118.68 113.16 1fq3 s LEU 105 Ca 0.09 -0.16 -0.19 0.00 0.69 0.00 0.00 54.13 54.56 1fq3 s LEU 105 Cb -0.01 1.63 -0.08 0.00 -0.43 0.00 0.00 46.19 47.30 1fq3 s LEU 105 CO 0.06 -0.18 0.71 -0.76 -0.29 0.00 0.00 176.35 175.88 1fq3 s LEU 106 N 2.47 4.36 -0.33 -0.68 1.43 -1.23 -0.29 118.68 124.41 1fq3 s LEU 106 Ca 0.16 1.40 -0.08 0.00 -1.03 0.00 0.00 54.13 54.58 1fq3 s LEU 106 Cb -0.05 -3.51 0.02 0.00 0.03 0.00 0.00 46.19 42.68 1fq3 s LEU 106 CO -0.19 0.06 0.12 -1.58 0.23 0.00 0.00 176.35 175.00 1fq3 s GLN 107 N -1.89 2.88 0.37 1.70 0.74 0.26 -2.53 119.66 121.19 1fq3 s GLN 107 Ca 0.42 -1.01 -0.27 0.00 0.05 0.00 0.00 55.36 54.54 1fq3 s GLN 107 Cb -0.17 -3.50 -0.12 0.00 1.10 0.00 0.00 33.01 30.32 1fq3 s GLN 107 CO 0.21 -0.58 1.27 1.28 -0.55 0.00 0.00 175.29 176.92 1fq3 n LEU 108 N 4.89 3.62 -0.30 3.68 4.77 0.25 0.10 117.00 134.01 1fq3 n LEU 108 Ca -0.13 1.17 -0.03 0.00 -0.03 0.00 0.00 56.01 56.99 1fq3 n LEU 108 Cb 0.46 -1.48 0.08 0.00 -2.33 0.00 0.00 43.42 40.16 1fq3 n LEU 108 CO 0.33 -0.59 1.21 -0.08 -1.33 0.00 0.00 177.39 176.93 1fq3 h GLU 109 N 2.36 1.05 -4.80 3.23 4.57 -0.88 -3.41 114.58 116.71 1fq3 h GLU 109 Ca -0.46 -0.06 -0.40 0.00 -1.18 0.00 0.00 59.36 57.25 1fq3 h GLU 109 Cb 1.29 -0.24 -0.28 0.00 -0.16 0.00 0.00 28.75 29.36 1fq3 h GLU 109 CO 0.61 0.70 -0.78 0.50 -1.18 0.00 0.00 179.01 178.86 1fq3 s ARG 110 N -6.13 0.77 0.27 1.92 3.52 -1.26 -4.94 118.95 113.11 1fq3 s ARG 110 Ca -0.13 -0.37 -0.27 0.00 -0.13 0.00 0.00 55.73 54.83 1fq3 s ARG 110 Cb 0.16 -0.74 -0.15 0.00 -1.56 0.00 0.00 34.95 32.66 1fq3 s ARG 110 CO 0.79 0.20 0.77 1.63 -0.81 0.00 0.00 175.30 177.88 1fq3 n LYS 111 N 2.77 0.75 -3.02 5.12 5.02 -1.26 -4.89 118.16 122.66 1fq3 n LYS 111 Ca -0.14 0.27 -0.40 0.00 -2.02 0.00 0.00 58.31 56.02 1fq3 n LYS 111 Cb 0.57 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 34.04 1fq3 n LYS 111 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fq3 s ALA 112 N -1.09 3.38 -0.26 7.82 0.00 -0.20 -4.99 121.76 126.42 1fq3 s ALA 112 Ca 0.61 0.09 -0.29 0.00 0.00 0.00 0.00 51.96 52.37 1fq3 s ALA 112 Cb -0.77 -3.01 -0.02 0.00 0.00 0.00 0.00 23.12 19.31 1fq3 s ALA 112 CO 0.58 -0.24 1.69 0.21 0.00 0.00 0.00 175.76 178.00 1fq3 s LYS 113 N 1.13 3.63 -0.30 0.00 2.20 -1.26 -4.75 119.74 120.39 1fq3 s LYS 113 Ca 0.37 1.59 -0.29 0.00 -0.36 0.00 0.00 55.97 57.28 1fq3 s LYS 113 Cb -0.17 -4.10 0.00 0.00 -1.51 0.00 0.00 37.83 32.05 1fq3 s LYS 113 CO 0.17 -1.49 1.30 0.50 -0.36 0.00 0.00 175.35 175.47 1fq3 s ARG 114 N 5.03 3.91 0.07 4.03 3.00 -1.26 -4.81 118.95 128.92 1fq3 s ARG 114 Ca 0.75 1.24 0.01 0.00 -1.00 0.00 0.00 55.73 56.73 1fq3 s ARG 114 Cb -0.24 -3.88 -0.00 0.00 0.00 0.00 0.00 34.95 30.82 1fq3 s ARG 114 CO 0.31 -1.13 0.04 0.25 0.00 0.00 0.00 175.30 174.78 1fq3 n THR 115 N 6.22 0.00 0.28 4.11 -2.24 0.39 -4.98 114.28 118.06 1fq3 n THR 115 Ca 0.15 -0.46 0.15 0.00 -2.27 0.00 0.00 64.05 61.61 1fq3 n THR 115 Cb 0.47 0.21 0.82 0.00 -2.10 0.00 0.00 70.33 69.72 1fq3 n THR 115 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1fq3 h ARG 116 N 0.00 0.00 0.00 -0.78 2.43 -2.01 -2.26 114.38 111.76 1fq3 h ARG 116 Ca -0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1fq3 h ARG 116 Cb 0.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1fq3 h ARG 116 CO 0.08 0.08 -1.22 0.00 -1.51 0.00 0.00 179.97 177.39 1fq3 n ALA 117 N -2.22 3.48 -3.61 2.80 0.00 -1.26 -4.83 120.51 114.86 1fq3 n ALA 117 Ca -0.02 -0.45 -0.23 0.00 0.00 0.00 0.00 53.44 52.73 1fq3 n ALA 117 Cb 0.21 -0.90 -0.17 0.00 0.00 0.00 0.00 19.45 18.60 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 -3.24 -0.13 0.04 0.00 1.01 -0.85 -4.20 120.40 113.03 1fq3 s VAL 118 Ca 0.02 -0.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 1fq3 s VAL 118 Cb 0.14 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 1fq3 s VAL 118 CO 0.83 -0.15 0.00 -1.10 0.00 0.00 0.00 175.10 174.69 1fq3 s GLN 119 N 2.17 0.50 0.66 2.72 -0.21 -1.05 -0.46 119.66 123.99 1fq3 s GLN 119 Ca 0.03 -0.88 -0.12 0.00 0.02 0.00 0.00 55.36 54.41 1fq3 s GLN 119 Cb -0.15 0.18 -0.01 0.00 1.00 0.00 0.00 33.01 34.03 1fq3 s GLN 119 CO -0.08 -0.10 1.05 -1.25 -2.12 0.00 0.00 175.29 172.79 1fq3 s PRO 120 N -2.72 3.22 -0.19 2.91 0.04 -1.25 -1.98 135.00 135.02 1fq3 s PRO 120 Ca -0.04 0.92 -0.04 0.00 0.04 0.00 0.00 61.00 61.87 1fq3 s PRO 120 Cb -0.01 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 1fq3 s PRO 120 CO -0.05 -0.88 -0.02 -1.17 0.04 0.00 0.00 177.00 174.92 1fq3 s LEU 121 N -5.27 3.16 0.95 -3.56 2.96 0.40 -4.78 118.68 112.54 1fq3 s LEU 121 Ca 0.58 -0.23 -0.12 0.00 -0.22 0.00 0.00 54.13 54.14 1fq3 s LEU 121 Cb -0.13 -1.79 0.07 0.00 0.50 0.00 0.00 46.19 44.84 1fq3 s LEU 121 CO 0.52 0.07 0.60 0.54 -1.32 0.00 0.00 176.35 176.76 1fq3 n ARG 122 N 4.17 -0.37 -4.24 1.98 5.12 -1.26 -4.66 116.66 117.41 1fq3 n ARG 122 Ca -0.17 -0.06 -0.30 0.00 -1.93 0.00 0.00 57.85 55.39 1fq3 n ARG 122 Cb 0.52 -2.00 -0.10 0.00 -1.16 0.00 0.00 32.46 29.72 1fq3 n ARG 122 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1fq3 s LEU 123 N -2.59 3.05 0.07 0.55 2.01 -1.26 -2.80 118.68 117.71 1fq3 s LEU 123 Ca 0.60 -0.38 -0.24 0.00 0.01 0.00 0.00 54.13 54.12 1fq3 s LEU 123 Cb -0.22 -1.84 -0.16 0.00 0.01 0.00 0.00 46.19 43.99 1fq3 s LEU 123 CO 0.65 0.18 1.66 1.55 1.01 0.00 0.00 176.35 181.41 1fq3 h PRO 124 N 3.64 -0.05 -3.54 1.29 0.13 -1.94 -3.47 132.00 128.06 1fq3 h PRO 124 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1fq3 h PRO 124 Cb 1.17 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1fq3 h PRO 124 CO 0.52 0.04 -0.87 0.43 -0.23 0.00 0.00 178.00 177.89 1fq3 n SER 125 N -5.08 -8.27 0.00 1.44 7.64 -1.26 -4.87 113.62 103.21 1fq3 n SER 125 Ca -0.08 1.19 0.00 0.00 1.01 0.00 0.00 58.87 60.99 1fq3 n SER 125 Cb 0.08 -4.53 0.00 0.00 -1.01 0.00 0.00 64.21 58.75 1fq3 n SER 125 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1fq3 n ASN 126 N -0.84 -0.47 -4.01 6.43 4.13 -1.26 -4.19 115.26 115.04 1fq3 n ASN 126 Ca 0.00 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.83 1fq3 n ASN 126 Cb 0.00 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.25 1fq3 n ASN 126 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1fq3 n LYS 127 N 0.00 4.22 -1.03 3.52 4.01 -1.26 -4.69 118.16 122.93 1fq3 n LYS 127 Ca 0.00 -4.33 -0.22 0.00 -0.51 0.00 0.00 58.31 53.25 1fq3 n LYS 127 Cb 0.00 -2.61 0.18 0.00 -0.51 0.00 0.00 35.03 32.09 1fq3 n LYS 127 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1fq3 n ALA 128 N 2.03 -2.03 -3.63 7.82 0.00 -1.26 -5.10 120.51 118.34 1fq3 n ALA 128 Ca 0.29 -1.25 -0.03 0.00 0.00 0.00 0.00 53.44 52.44 1fq3 n ALA 128 Cb 0.34 -0.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.68 1fq3 n ALA 128 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1fq3 s GLN 129 N -4.98 0.15 -0.12 0.00 -1.52 -1.26 -4.97 119.66 106.96 1fq3 s GLN 129 Ca 0.54 -0.00 -0.05 0.00 -1.95 0.00 0.00 55.36 53.90 1fq3 s GLN 129 Cb -0.04 0.07 0.05 0.00 -0.22 0.00 0.00 33.01 32.88 1fq3 s GLN 129 CO 0.40 -0.06 0.26 0.14 -0.25 0.00 0.00 175.29 175.79 1fq3 s VAL 130 N -1.51 -0.20 0.84 1.09 -7.23 -1.26 -5.17 120.40 106.96 1fq3 s VAL 130 Ca 0.09 0.20 -0.12 0.00 -1.81 0.00 0.00 61.98 60.34 1fq3 s VAL 130 Cb -0.01 -0.42 0.09 0.00 0.56 0.00 0.00 36.38 36.60 1fq3 s VAL 130 CO -0.05 0.08 1.11 -0.54 -0.31 0.00 0.00 175.10 175.39 1fq3 s LYS 131 N 1.76 1.76 0.65 4.82 3.01 -1.26 -5.00 119.74 125.47 1fq3 s LYS 131 Ca -0.05 0.51 -0.15 0.00 -1.01 0.00 0.00 55.97 55.27 1fq3 s LYS 131 Cb -0.11 -1.89 -0.00 0.00 -1.01 0.00 0.00 37.83 34.81 1fq3 s LYS 131 CO -0.09 -1.82 1.11 -2.14 0.51 0.00 0.00 175.35 172.92 1fq3 s PRO 132 N -5.21 2.85 0.00 -1.68 0.02 -1.26 -2.92 135.00 126.80 1fq3 s PRO 132 Ca 0.62 1.39 0.00 0.00 0.02 0.00 0.00 61.00 63.03 1fq3 s PRO 132 Cb -0.14 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.42 1fq3 s PRO 132 CO 0.54 -1.21 0.00 0.41 -0.33 0.00 0.00 177.00 176.41 1fq3 n GLY 133 N -0.52 3.29 3.74 0.52 0.00 -0.84 -5.00 105.19 106.39 1fq3 n GLY 133 Ca 0.10 0.00 -0.42 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 -0.62 4.15 -0.16 1.61 -1.52 -1.15 -4.69 119.66 117.30 1fq3 s GLN 134 Ca 0.00 2.52 -0.07 0.00 -1.95 0.00 0.00 55.36 55.85 1fq3 s GLN 134 Cb 0.00 -3.06 -0.04 0.00 -0.22 0.00 0.00 33.01 29.69 1fq3 s GLN 134 CO 0.00 -0.62 0.10 -0.08 -0.25 0.00 0.00 175.29 174.44 1fq3 s THR 135 N 0.31 5.12 0.19 -0.19 -1.32 -1.26 -0.87 115.64 117.62 1fq3 s THR 135 Ca 0.65 0.08 0.01 0.00 -1.21 0.00 0.00 61.69 61.22 1fq3 s THR 135 Cb -0.47 -3.28 -0.05 0.00 -1.51 0.00 0.00 72.50 67.20 1fq3 s THR 135 CO 0.43 0.52 0.04 0.00 -2.21 0.00 0.00 174.62 173.40 1fq3 s SER 137 N -3.19 4.28 -0.24 0.00 1.04 -1.06 0.52 113.70 115.04 1fq3 s SER 137 Ca 0.29 -0.13 -0.00 0.00 0.48 0.00 0.00 55.95 56.58 1fq3 s SER 137 Cb 0.07 -1.02 0.07 0.00 0.10 0.00 0.00 66.02 65.23 1fq3 s SER 137 CO 0.07 0.34 -0.01 -0.69 0.98 0.00 0.00 173.24 173.93 1fq3 s VAL 138 N -0.69 1.26 0.40 5.02 1.01 0.40 -2.78 120.40 125.01 1fq3 s VAL 138 Ca 0.10 -1.14 0.06 0.00 0.00 0.00 0.00 61.98 61.00 1fq3 s VAL 138 Cb -0.11 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.62 1fq3 s VAL 138 CO 0.01 -0.22 0.56 0.00 0.00 0.00 0.00 175.10 175.45 1fq3 s ALA 139 N 1.50 4.23 0.00 5.51 0.00 -1.26 -3.21 121.76 128.54 1fq3 s ALA 139 Ca -0.02 -1.46 0.00 0.00 0.00 0.00 0.00 51.96 50.48 1fq3 s ALA 139 Cb -0.18 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.17 1fq3 s ALA 139 CO -0.09 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 175.85 1fq3 n GLY 140 N -1.83 2.07 1.91 0.00 0.00 0.39 -4.69 105.19 103.03 1fq3 n GLY 140 Ca 0.03 -0.87 -0.01 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.68 2.25 -0.16 1.61 8.01 -1.26 -1.66 117.44 125.56 1fq3 n TRP 141 Ca 0.00 -1.04 0.00 0.00 -1.31 0.00 0.00 57.50 55.15 1fq3 n TRP 141 Cb 0.00 -0.61 0.00 0.00 -2.01 0.00 0.00 31.31 28.69 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 0.06 -3.03 3.75 6.99 0.00 -0.11 -1.85 105.19 111.01 1fq3 n GLY 142 Ca 0.36 -1.32 -0.36 0.00 0.00 0.00 0.00 46.02 44.70 1fq3 n GLY 142 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1fq3 s GLN 143 N -2.03 3.63 0.42 1.61 -2.07 -0.45 0.00 119.66 120.78 1fq3 s GLN 143 Ca 0.00 -0.25 -0.22 0.00 -1.82 0.00 0.00 55.36 53.07 1fq3 s GLN 143 Cb 0.00 -3.17 -0.11 0.00 -1.09 0.00 0.00 33.01 28.65 1fq3 s GLN 143 CO 0.00 0.55 0.96 0.99 -1.32 0.00 0.00 175.29 176.47 1fq3 s THR 144 N -0.40 4.28 0.53 3.63 2.01 -1.26 -3.87 115.64 120.55 1fq3 s THR 144 Ca 0.10 1.49 0.00 0.00 0.31 0.00 0.00 61.69 63.60 1fq3 s THR 144 Cb -0.12 -3.65 0.00 0.00 0.01 0.00 0.00 72.50 68.75 1fq3 s THR 144 CO 0.02 -0.23 0.00 0.00 -0.69 0.00 0.00 174.62 173.71 1fq3 n ALA 145 N -0.48 -2.69 1.45 7.40 0.00 -1.26 -3.01 120.51 121.92 1fq3 n ALA 145 Ca 0.06 0.66 0.13 0.00 0.00 0.00 0.00 53.44 54.30 1fq3 n ALA 145 Cb 0.53 -1.35 0.72 0.00 0.00 0.00 0.00 19.45 19.35 1fq3 n ALA 145 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1fq3 n PRO 146 N -3.43 0.63 0.00 0.00 -0.05 -1.26 -3.57 135.00 127.32 1fq3 n PRO 146 Ca -0.05 0.02 0.00 0.00 -0.05 0.00 0.00 63.50 63.42 1fq3 n PRO 146 Cb 0.52 -1.50 0.00 0.00 -0.05 0.00 0.00 33.50 32.47 1fq3 n PRO 146 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 175.50 176.92 1fq3 n LEU 147 N -1.11 0.14 0.00 1.53 -0.00 -1.26 -5.03 117.00 111.27 1fq3 n LEU 147 Ca 0.16 -0.25 0.00 0.00 -0.00 0.00 0.00 56.01 55.92 1fq3 n LEU 147 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.55 1fq3 n LEU 147 CO 0.16 0.04 0.00 0.61 -0.00 0.00 0.00 177.39 178.20 1fq3 n GLY 148 N 0.21 -2.52 3.65 1.47 0.00 -1.16 -5.04 105.19 101.80 1fq3 n GLY 148 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 46.02 45.74 1fq3 n GLY 148 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fq3 s LYS 149 N 0.00 0.12 -0.14 1.61 2.36 -1.26 -4.99 119.74 117.45 1fq3 s LYS 149 Ca 0.00 0.20 -0.03 0.00 -2.55 0.00 0.00 55.97 53.59 1fq3 s LYS 149 Cb 0.00 0.03 -0.04 0.00 -1.05 0.00 0.00 37.83 36.77 1fq3 s LYS 149 CO 0.00 -0.02 0.33 0.72 1.55 0.00 0.00 175.35 177.93 1fq3 n HIS 151 N 3.09 0.04 -1.61 4.03 8.25 -1.26 -4.54 115.22 123.22 1fq3 n HIS 151 Ca -0.17 0.03 -0.53 0.00 -0.26 0.00 0.00 57.72 56.79 1fq3 n HIS 151 Cb 0.57 -0.20 -0.06 0.00 1.12 0.00 0.00 29.99 31.41 1fq3 n HIS 151 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1fq3 n SER 152 N 1.11 1.83 -0.23 0.41 2.88 0.10 -4.88 113.62 114.85 1fq3 n SER 152 Ca 0.09 1.11 -0.04 0.00 -1.33 0.00 0.00 58.87 58.70 1fq3 n SER 152 Cb 0.01 -1.19 0.06 0.00 -0.75 0.00 0.00 64.21 62.34 1fq3 n SER 152 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1fq3 h HIS 153 N 5.06 0.76 -3.43 0.66 -0.00 -1.84 -3.43 115.15 112.93 1fq3 h HIS 153 Ca -0.47 0.02 -0.49 0.00 -0.00 0.00 0.00 60.37 59.42 1fq3 h HIS 153 Cb 1.33 -0.25 0.02 0.00 -0.00 0.00 0.00 27.41 28.51 1fq3 h HIS 153 CO 0.63 0.44 0.04 -0.08 -0.00 0.00 0.00 177.93 178.95 1fq3 s THR 154 N -6.13 4.94 0.94 2.45 -1.32 -1.26 -2.09 115.64 113.17 1fq3 s THR 154 Ca -0.13 0.14 -0.16 0.00 -1.21 0.00 0.00 61.69 60.33 1fq3 s THR 154 Cb 0.14 -3.83 0.24 0.00 -1.51 0.00 0.00 72.50 67.54 1fq3 s THR 154 CO 0.76 -0.70 0.56 -0.11 -2.21 0.00 0.00 174.62 172.91 1fq3 n LEU 155 N -1.91 0.00 -3.15 9.08 0.00 -0.13 -4.68 117.00 116.21 1fq3 n LEU 155 Ca -0.00 -0.56 0.05 0.00 0.00 0.00 0.00 56.01 55.49 1fq3 n LEU 155 Cb 0.55 -0.63 -0.01 0.00 0.00 0.00 0.00 43.42 43.32 1fq3 n LEU 155 CO 0.51 -2.35 0.43 -1.10 0.00 0.00 0.00 177.39 174.88 1fq3 s GLN 156 N -4.33 0.32 0.45 1.96 1.11 -0.66 -4.43 119.66 114.08 1fq3 s GLN 156 Ca 0.43 0.56 0.08 0.00 0.01 0.00 0.00 55.36 56.44 1fq3 s GLN 156 Cb -0.07 0.31 0.00 0.00 -1.01 0.00 0.00 33.01 32.24 1fq3 s GLN 156 CO 0.36 -0.36 0.46 -1.83 0.01 0.00 0.00 175.29 173.92 1fq3 s GLU 157 N 2.92 2.53 -0.30 2.91 -1.05 -1.05 -0.46 118.70 124.20 1fq3 s GLU 157 Ca 0.07 -1.55 -0.27 0.00 -0.15 0.00 0.00 54.97 53.08 1fq3 s GLU 157 Cb -0.12 -2.44 0.20 0.00 -0.44 0.00 0.00 34.13 31.33 1fq3 s GLU 157 CO -0.15 -0.32 1.44 0.54 0.95 0.00 0.00 175.26 177.72 1fq3 s VAL 158 N -2.50 0.00 0.45 1.83 0.11 -1.20 -2.51 120.40 116.58 1fq3 s VAL 158 Ca 0.49 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 59.33 1fq3 s VAL 158 Cb -0.05 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.70 1fq3 s VAL 158 CO 0.29 0.00 0.98 -1.59 -3.33 0.00 0.00 175.10 171.45 1fq3 s LYS 159 N -0.46 4.11 -0.17 1.54 0.00 -1.26 -0.45 119.74 123.04 1fq3 s LYS 159 Ca 0.09 1.19 -0.04 0.00 0.00 0.00 0.00 55.97 57.20 1fq3 s LYS 159 Cb -0.03 -2.16 0.08 0.00 0.00 0.00 0.00 37.83 35.73 1fq3 s LYS 159 CO -0.13 -0.15 0.28 -1.64 0.00 0.00 0.00 175.35 173.72 1fq3 s MET 160 N -3.20 0.20 -0.09 1.78 -1.94 1.97 -4.86 119.30 113.17 1fq3 s MET 160 Ca 0.64 0.59 -0.30 0.00 -1.71 0.00 0.00 55.69 54.91 1fq3 s MET 160 Cb -0.11 -0.38 -0.02 0.00 2.01 0.00 0.00 34.83 36.32 1fq3 s MET 160 CO 0.15 -0.44 1.13 0.99 -0.01 0.00 0.00 175.02 176.85 1fq3 s THR 161 N 2.43 4.46 -1.02 2.05 2.01 -1.26 -0.96 115.64 123.35 1fq3 s THR 161 Ca 0.04 1.76 -0.25 0.00 0.31 0.00 0.00 61.69 63.56 1fq3 s THR 161 Cb -0.14 -4.13 -0.12 0.00 0.01 0.00 0.00 72.50 68.13 1fq3 s THR 161 CO -0.11 -0.02 2.06 -0.69 -0.69 0.00 0.00 174.62 175.17 1fq3 s VAL 162 N 2.33 3.31 1.20 3.82 1.01 -0.05 -0.12 120.40 131.90 1fq3 s VAL 162 Ca 0.52 -0.42 -0.18 0.00 0.00 0.00 0.00 61.98 61.91 1fq3 s VAL 162 Cb -0.22 -4.02 0.23 0.00 0.00 0.00 0.00 36.38 32.38 1fq3 s VAL 162 CO 0.19 -0.61 0.50 1.67 0.00 0.00 0.00 175.10 176.85 1fq3 n GLN 163 N 8.51 -2.81 -3.31 2.72 -0.06 -1.26 -1.98 117.38 119.20 1fq3 n GLN 163 Ca 0.43 -0.82 -0.32 0.00 -2.00 0.00 0.00 57.00 54.29 1fq3 n GLN 163 Cb 0.46 -1.79 -0.06 0.00 -4.06 0.00 0.00 30.24 24.79 1fq3 n GLN 163 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 1fq3 s GLU 164 N -4.03 3.89 0.17 3.69 2.12 -1.26 -4.58 118.70 118.69 1fq3 s GLU 164 Ca 0.57 0.44 -0.18 0.00 0.36 0.00 0.00 54.97 56.15 1fq3 s GLU 164 Cb -0.13 -2.57 0.11 0.00 0.26 0.00 0.00 34.13 31.80 1fq3 s GLU 164 CO 0.56 0.26 1.64 -0.44 -0.54 0.00 0.00 175.26 176.73 1fq3 h ASP 165 N 2.46 -0.63 -1.07 -1.70 5.19 -1.93 0.12 116.42 118.87 1fq3 h ASP 165 Ca -0.47 0.15 0.34 0.00 -0.62 0.00 0.00 57.03 56.44 1fq3 h ASP 165 Cb 1.17 0.35 -0.14 0.00 0.18 0.00 0.00 39.33 40.89 1fq3 h ASP 165 CO 0.68 -0.21 0.64 -0.09 -3.12 0.00 0.00 179.24 177.13 1fq3 h ARG 166 N -0.09 0.26 0.00 3.56 9.65 -2.02 2.50 114.38 128.24 1fq3 h ARG 166 Ca 0.21 -0.02 -0.10 0.00 -1.10 0.00 0.00 59.98 58.97 1fq3 h ARG 166 Cb 0.41 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.92 1fq3 h ARG 166 CO -0.49 0.17 -0.49 0.87 2.80 0.00 0.00 179.97 182.83 1fq3 h LYS 167 N 0.26 0.00 -0.05 0.20 1.79 -1.37 -3.24 116.57 114.15 1fq3 h LYS 167 Ca 0.74 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 59.21 1fq3 h LYS 167 Cb 1.87 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.52 1fq3 h LYS 167 CO -0.55 0.49 0.03 0.00 -1.08 0.00 0.00 179.45 178.35 1fq3 h GLU 169 N 0.02 0.00 -6.26 0.00 4.39 -1.50 -3.35 114.58 107.89 1fq3 h GLU 169 Ca 0.02 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.17 1fq3 h GLU 169 Cb 0.06 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1fq3 h GLU 169 CO -0.00 0.00 1.17 -1.12 -1.16 0.00 0.00 179.01 177.89 1fq3 s SER 170 N -3.35 6.42 0.00 1.42 0.01 -0.80 -3.30 113.70 114.10 1fq3 s SER 170 Ca -0.01 2.10 0.00 0.00 1.31 0.00 0.00 55.95 59.35 1fq3 s SER 170 Cb 0.03 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.73 1fq3 s SER 170 CO 0.10 -1.15 0.00 -0.67 0.41 0.00 0.00 173.24 171.93 1fq3 n ASP 170 N 8.06 0.00 -1.81 2.44 4.64 -1.26 -4.75 116.55 123.88 1fq3 n ASP 170 Ca 0.19 0.00 -0.05 0.00 -1.38 0.00 0.00 54.79 53.56 1fq3 n ASP 170 Cb 0.43 0.00 -0.06 0.00 -1.04 0.00 0.00 41.12 40.45 1fq3 n ASP 170 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 1fq3 n LEU 171 N 0.00 4.45 0.00 -2.67 4.32 -1.21 -4.75 117.00 117.14 1fq3 n LEU 171 Ca 0.00 -2.35 0.00 0.00 -0.02 0.00 0.00 56.01 53.64 1fq3 n LEU 171 Cb 0.00 -1.06 0.00 0.00 -1.62 0.00 0.00 43.42 40.74 1fq3 n LEU 171 CO 0.00 1.07 0.00 -1.14 -1.22 0.00 0.00 177.39 176.10 1fq3 n ARG 172 N 2.03 0.00 0.00 3.23 0.00 -1.25 -2.57 116.66 118.10 1fq3 n ARG 172 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.01 1fq3 n ARG 172 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.04 1fq3 n ARG 172 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1fq3 n HIS 173 N -3.20 0.00 1.64 -0.14 8.25 -1.26 -4.80 115.22 115.71 1fq3 n HIS 173 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.61 1fq3 n HIS 173 Cb 0.00 0.00 0.78 0.00 1.12 0.00 0.00 29.99 31.89 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 -0.27 0.00 -3.80 4.41 4.01 -1.06 -4.83 117.16 115.63 1fq3 n TYR 174 Ca 0.00 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.38 1fq3 n TYR 174 Cb 0.06 -0.14 -0.10 0.00 -0.31 0.00 0.00 39.34 38.85 1fq3 n TYR 174 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1fq3 s TYR 175 N -2.30 3.27 -0.09 -0.72 6.14 -1.24 -4.82 117.35 117.60 1fq3 s TYR 175 Ca 0.37 0.11 0.03 0.00 0.64 0.00 0.00 57.07 58.21 1fq3 s TYR 175 Cb 0.21 -2.19 0.01 0.00 0.42 0.00 0.00 41.96 40.41 1fq3 s TYR 175 CO 0.42 0.07 -0.17 0.34 0.64 0.00 0.00 175.55 176.85 1fq3 s ASP 176 N 0.82 2.38 -0.02 4.32 -1.08 -1.26 -5.03 116.67 116.81 1fq3 s ASP 176 Ca 0.06 -0.42 -0.08 0.00 -0.52 0.00 0.00 52.55 51.59 1fq3 s ASP 176 Cb -0.13 -1.09 -0.04 0.00 -1.46 0.00 0.00 42.92 40.19 1fq3 s ASP 176 CO 0.02 0.08 0.52 0.28 0.52 0.00 0.00 175.17 176.60 1fq3 h SER 177 N 6.95 -0.24 -0.69 -0.34 0.02 -1.99 -2.74 113.55 114.53 1fq3 h SER 177 Ca -0.26 0.01 0.20 0.00 -0.84 0.00 0.00 61.79 60.89 1fq3 h SER 177 Cb 1.21 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.78 1fq3 h SER 177 CO 0.48 -0.02 0.86 1.07 -1.14 0.00 0.00 176.83 178.08 1fq3 n THR 178 N -3.58 0.00 -0.01 -2.27 5.66 -1.26 -2.23 114.28 110.59 1fq3 n THR 178 Ca -0.03 0.88 -0.02 0.00 -3.05 0.00 0.00 64.05 61.83 1fq3 n THR 178 Cb 0.11 -1.60 -0.01 0.00 -1.55 0.00 0.00 70.33 67.29 1fq3 n THR 178 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 1fq3 n ILE 179 N -2.62 0.11 -3.82 1.09 -5.35 -1.26 -4.99 119.36 102.52 1fq3 n ILE 179 Ca 0.15 -0.04 -0.36 0.00 -0.27 0.00 0.00 62.75 62.24 1fq3 n ILE 179 Cb 1.07 -1.00 -0.12 0.00 -1.74 0.00 0.00 39.64 37.85 1fq3 n ILE 179 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 1fq3 s GLU 180 N -2.04 3.70 0.54 6.28 -1.05 -0.95 -0.91 118.70 124.28 1fq3 s GLU 180 Ca -0.03 -0.46 -0.08 0.00 -0.15 0.00 0.00 54.97 54.26 1fq3 s GLU 180 Cb 0.01 -3.29 -0.04 0.00 -0.44 0.00 0.00 34.13 30.37 1fq3 s GLU 180 CO 0.04 -0.11 0.89 -0.48 0.95 0.00 0.00 175.26 176.56 1fq3 s LEU 181 N 1.39 3.45 0.19 1.83 0.05 -0.66 -4.39 118.68 120.54 1fq3 s LEU 181 Ca 0.05 1.13 -0.05 0.00 0.05 0.00 0.00 54.13 55.31 1fq3 s LEU 181 Cb -0.15 -4.12 -0.06 0.00 -2.05 0.00 0.00 46.19 39.82 1fq3 s LEU 181 CO 0.03 -0.71 0.43 0.00 -0.55 0.00 0.00 176.35 175.56 1fq3 s VAL 183 N -1.77 0.03 0.00 0.00 0.11 -1.25 -4.15 120.40 113.36 1fq3 s VAL 183 Ca 0.42 -0.21 0.00 0.00 -2.93 0.00 0.00 61.98 59.26 1fq3 s VAL 183 Cb -0.12 -0.63 0.00 0.00 -1.53 0.00 0.00 36.38 34.11 1fq3 s VAL 183 CO 0.25 -0.12 0.00 0.61 -3.33 0.00 0.00 175.10 172.52 1fq3 n GLY 184 N 1.98 -1.27 3.71 6.54 0.00 0.83 -1.46 105.19 115.53 1fq3 n GLY 184 Ca -0.17 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 1fq3 n GLY 184 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1fq3 s ASP 184 N 0.00 6.49 0.53 1.61 3.68 -1.17 -3.95 116.67 123.87 1fq3 s ASP 184 Ca 0.00 2.71 0.36 0.00 2.13 0.00 0.00 52.55 57.75 1fq3 s ASP 184 Cb 0.00 -2.59 1.87 0.00 -1.45 0.00 0.00 42.92 40.75 1fq3 s ASP 184 CO 0.00 -0.91 2.09 1.55 0.13 0.00 0.00 175.17 178.03 1fq3 h PRO 185 N 7.21 0.00 -0.64 4.34 0.13 -1.93 -2.61 132.00 138.50 1fq3 h PRO 185 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1fq3 h PRO 185 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1fq3 h PRO 185 CO 0.94 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.10 1fq3 n GLU 186 N -2.81 4.00 0.00 0.86 1.02 -1.26 -4.65 120.64 117.80 1fq3 n GLU 186 Ca -0.02 -2.61 0.00 0.00 -0.02 0.00 0.00 57.16 54.51 1fq3 n GLU 186 Cb 0.10 -2.04 0.00 0.00 -0.02 0.00 0.00 31.44 29.49 1fq3 n GLU 186 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1fq3 n ILE 187 N 0.68 0.00 -2.71 -3.67 -5.35 -0.98 -5.18 119.36 102.14 1fq3 n ILE 187 Ca 0.23 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.67 1fq3 n ILE 187 Cb 0.96 0.00 -0.04 0.00 -1.74 0.00 0.00 39.64 38.83 1fq3 n ILE 187 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1fq3 n LYS 188 N 0.00 -3.90 -3.68 6.28 4.01 -1.26 -4.64 118.16 114.96 1fq3 n LYS 188 Ca 0.00 2.99 -0.11 0.00 -0.51 0.00 0.00 58.31 60.68 1fq3 n LYS 188 Cb 0.00 -4.15 -0.09 0.00 -0.51 0.00 0.00 35.03 30.29 1fq3 n LYS 188 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 1fq3 s THR 189 N -0.53 -0.01 0.43 -0.18 -1.32 -0.64 -4.80 115.64 108.59 1fq3 s THR 189 Ca -0.23 0.02 -0.25 0.00 -1.21 0.00 0.00 61.69 60.02 1fq3 s THR 189 Cb 0.02 -0.78 -0.08 0.00 -1.51 0.00 0.00 72.50 70.15 1fq3 s THR 189 CO 0.62 0.01 1.29 -0.94 -2.21 0.00 0.00 174.62 173.39 1fq3 s SER 190 N 0.84 6.17 0.09 8.08 1.04 -1.26 -1.86 113.70 126.81 1fq3 s SER 190 Ca -0.04 2.61 0.01 0.00 0.48 0.00 0.00 55.95 59.01 1fq3 s SER 190 Cb -0.05 -2.63 -0.01 0.00 0.10 0.00 0.00 66.02 63.43 1fq3 s SER 190 CO -0.07 -0.94 0.05 0.33 0.98 0.00 0.00 173.24 173.59 1fq3 n PHE 191 N -0.10 -0.06 -1.53 5.02 7.35 -1.26 -4.83 117.46 122.04 1fq3 n PHE 191 Ca 0.05 -0.67 -0.55 0.00 -0.76 0.00 0.00 57.45 55.51 1fq3 n PHE 191 Cb 0.44 0.03 -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 1.17 -0.76 0.00 0.00 176.76 177.17 1fq3 n LYS 192 N -0.20 0.50 -0.41 -4.13 4.81 -1.26 -0.67 118.16 116.80 1fq3 n LYS 192 Ca -0.00 0.18 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 1fq3 n LYS 192 Cb 0.15 -1.72 0.00 0.00 0.02 0.00 0.00 35.03 33.49 1fq3 n LYS 192 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1fq3 n GLY 193 N 1.93 0.78 0.00 3.14 0.00 -1.26 -1.34 105.19 108.44 1fq3 n GLY 193 Ca 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 0.26 4.68 -4.49 1.61 8.00 0.15 -0.94 116.55 125.82 1fq3 n ASP 194 Ca 0.00 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 55.06 1fq3 n ASP 194 Cb 0.00 0.59 -0.01 0.00 -0.02 0.00 0.00 41.12 41.68 1fq3 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1fq3 n SER 195 N -1.78 -0.14 0.00 -2.24 7.64 -1.26 -2.36 113.62 113.49 1fq3 n SER 195 Ca 0.00 1.05 0.00 0.00 1.01 0.00 0.00 58.87 60.93 1fq3 n SER 195 Cb 0.35 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 1fq3 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fq3 n GLY 196 N 1.61 2.94 3.53 0.23 0.00 -0.92 -0.68 105.19 111.89 1fq3 n GLY 196 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.76 1.53 0.23 -0.02 0.00 -1.00 -3.16 107.32 102.15 1fq3 s GLY 197 Ca 0.00 -0.67 -0.03 0.00 0.00 0.00 0.00 44.72 44.02 1fq3 s GLY 197 CO 0.00 0.16 0.47 2.56 0.00 0.00 0.00 173.10 176.29 1fq3 s PRO 198 N -5.08 3.59 -0.86 2.90 0.04 -1.26 -2.06 135.00 132.27 1fq3 s PRO 198 Ca 0.69 -0.15 -0.03 0.00 0.04 0.00 0.00 61.00 61.55 1fq3 s PRO 198 Cb -0.15 -2.75 0.21 0.00 0.04 0.00 0.00 34.50 31.86 1fq3 s PRO 198 CO 0.58 0.32 0.75 -1.17 0.04 0.00 0.00 177.00 177.53 1fq3 s LEU 199 N -3.34 5.64 0.11 -3.56 0.20 0.23 -4.39 118.68 113.56 1fq3 s LEU 199 Ca 0.41 -3.50 -0.31 0.00 0.69 0.00 0.00 54.13 51.42 1fq3 s LEU 199 Cb -0.11 -1.94 -0.08 0.00 -0.43 0.00 0.00 46.19 43.63 1fq3 s LEU 199 CO 0.29 -0.25 1.36 -0.69 -0.29 0.00 0.00 176.35 176.77 1fq3 s VAL 200 N -1.03 3.39 -0.16 1.68 1.01 -1.12 -3.93 120.40 120.24 1fq3 s VAL 200 Ca 0.25 1.01 -0.04 0.00 0.00 0.00 0.00 61.98 63.20 1fq3 s VAL 200 Cb -0.10 -3.64 0.06 0.00 0.00 0.00 0.00 36.38 32.69 1fq3 s VAL 200 CO -0.10 0.08 0.08 0.00 0.00 0.00 0.00 175.10 175.16 1fq3 n ASN 202 N 5.24 -5.22 -0.78 0.00 4.05 -1.26 -3.24 115.26 114.04 1fq3 n ASN 202 Ca -0.07 0.39 0.00 0.00 0.45 0.00 0.00 54.58 55.35 1fq3 n ASN 202 Cb 0.49 -4.12 0.00 0.00 1.23 0.00 0.00 39.78 37.37 1fq3 n ASN 202 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1fq3 n LYS 203 N -2.13 0.00 -3.61 1.20 5.02 -1.26 -5.12 118.16 112.26 1fq3 n LYS 203 Ca -0.16 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.02 1fq3 n LYS 203 Cb 0.57 -1.13 -0.06 0.00 -0.02 0.00 0.00 35.03 34.39 1fq3 n LYS 203 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1fq3 s VAL 208 N -2.44 0.00 0.23 -0.18 1.01 -1.20 -4.71 120.40 113.10 1fq3 s VAL 208 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 61.98 61.83 1fq3 s VAL 208 Cb 0.00 -1.00 0.28 0.00 0.00 0.00 0.00 36.38 35.66 1fq3 s VAL 208 CO 0.00 0.00 1.49 0.00 0.00 0.00 0.00 175.10 176.59 1fq3 n ALA 209 N 1.83 -0.04 0.00 5.51 0.00 -1.12 -1.98 120.51 124.71 1fq3 n ALA 209 Ca -0.13 0.98 0.00 0.00 0.00 0.00 0.00 53.44 54.29 1fq3 n ALA 209 Cb 0.56 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.54 1fq3 n ALA 209 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1fq3 n GLN 210 N -5.44 0.00 0.00 0.00 -0.06 -1.25 -2.97 117.38 107.65 1fq3 n GLN 210 Ca 0.11 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.11 1fq3 n GLN 210 Cb 0.41 -2.35 0.00 0.00 -4.06 0.00 0.00 30.24 24.24 1fq3 n GLN 210 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1fq3 n GLY 211 N -1.05 3.74 3.47 1.69 0.00 -1.25 -3.62 105.19 108.16 1fq3 n GLY 211 Ca 0.00 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.89 1fq3 n GLY 211 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1fq3 s ILE 212 N -2.00 3.53 0.13 -0.61 -4.36 -0.29 0.75 121.20 118.36 1fq3 s ILE 212 Ca 0.00 -0.50 -0.34 0.00 -0.26 0.00 0.00 60.65 59.55 1fq3 s ILE 212 Cb 0.00 -2.50 -0.13 0.00 1.25 0.00 0.00 42.46 41.07 1fq3 s ILE 212 CO 0.00 0.53 1.62 0.52 0.24 0.00 0.00 174.94 177.85 1fq3 n VAL 213 N 3.24 0.08 0.00 8.37 0.31 -0.87 -1.02 118.33 128.43 1fq3 n VAL 213 Ca -0.18 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1fq3 n VAL 213 Cb 0.53 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.85 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 3.87 0.00 -2.16 4.52 2.88 -1.00 -2.16 113.62 119.57 1fq3 n SER 214 Ca 0.18 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.63 1fq3 n SER 214 Cb 0.29 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.74 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 -0.25 -1.09 0.00 0.66 4.11 -1.01 -4.71 117.16 114.87 1fq3 n TYR 215 Ca 0.00 -1.35 0.00 0.00 -0.00 0.00 0.00 57.90 56.55 1fq3 n TYR 215 Cb 0.00 0.34 0.00 0.00 -0.00 0.00 0.00 39.34 39.68 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 -0.34 1.39 1.69 -7.48 0.00 -1.26 -0.56 105.19 98.63 1fq3 n GLY 216 Ca -0.00 -0.79 -0.24 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.37 0.00 -0.30 1.61 1.74 -1.26 -4.78 116.66 113.31 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 -0.50 0.12 0.00 -1.02 0.00 0.00 32.46 31.07 1fq3 n ARG 217 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1fq3 n ASN 218 N 0.99 2.59 -1.60 0.55 4.13 -1.26 -3.90 115.26 116.77 1fq3 n ASN 218 Ca 0.09 -2.32 0.04 0.00 1.68 0.00 0.00 54.58 54.07 1fq3 n ASN 218 Cb 0.12 -0.56 0.33 0.00 -1.54 0.00 0.00 39.78 38.13 1fq3 n ASN 218 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1fq3 n ASN 219 N 0.18 4.88 -2.05 6.41 6.94 -1.26 -4.91 115.26 125.45 1fq3 n ASN 219 Ca 0.10 -3.06 -0.17 0.00 -0.02 0.00 0.00 54.58 51.43 1fq3 n ASN 219 Cb 0.58 -0.66 -0.03 0.00 -2.36 0.00 0.00 39.78 37.31 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 0.04 0.31 3.19 4.83 0.00 -1.25 -4.93 105.19 107.38 1fq3 n GLY 220 Ca 0.29 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.00 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 -4.40 2.81 1.11 1.61 1.00 -1.26 -4.86 119.30 115.31 1fq3 s MET 224 Ca 0.00 -0.81 -0.19 0.00 0.00 0.00 0.00 55.69 54.69 1fq3 s MET 224 Cb 0.00 -2.15 0.27 0.00 0.00 0.00 0.00 34.83 32.95 1fq3 s MET 224 CO 0.00 0.17 1.08 -0.35 0.00 0.00 0.00 175.02 175.92 1fq3 n PRO 224 N 3.53 -2.64 -0.09 2.03 -0.04 -1.26 -4.38 135.00 132.15 1fq3 n PRO 224 Ca -0.19 -1.71 -0.02 0.00 -0.04 0.00 0.00 63.50 61.53 1fq3 n PRO 224 Cb 0.53 -1.49 0.02 0.00 -0.04 0.00 0.00 33.50 32.51 1fq3 n PRO 224 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1fq3 n PRO 225 N -4.44 -0.97 -3.30 0.54 -0.02 -1.25 -4.62 135.00 120.94 1fq3 n PRO 225 Ca 0.15 -0.13 -0.08 0.00 -2.02 0.00 0.00 63.50 61.41 1fq3 n PRO 225 Cb 0.55 -0.12 -0.06 0.00 -0.02 0.00 0.00 33.50 33.86 1fq3 n PRO 225 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1fq3 s ARG 226 N -3.19 0.41 0.14 -0.52 1.81 -0.53 -4.29 118.95 112.79 1fq3 s ARG 226 Ca 0.05 0.24 -0.34 0.00 -1.72 0.00 0.00 55.73 53.96 1fq3 s ARG 226 Cb -0.00 -0.29 -0.16 0.00 -0.45 0.00 0.00 34.95 34.05 1fq3 s ARG 226 CO 0.04 -0.96 1.29 0.00 -0.68 0.00 0.00 175.30 174.99 1fq3 n ALA 227 N 5.36 -0.53 -3.99 2.13 0.00 0.28 -3.84 120.51 119.92 1fq3 n ALA 227 Ca 0.00 0.48 -0.30 0.00 0.00 0.00 0.00 53.44 53.62 1fq3 n ALA 227 Cb 0.50 -2.09 -0.16 0.00 0.00 0.00 0.00 19.45 17.69 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 4.71 1.87 -3.08 0.00 -1.04 -0.19 -1.65 114.28 114.90 1fq3 n THR 229 Ca -0.15 -0.50 -0.44 0.00 -2.04 0.00 0.00 64.05 60.92 1fq3 n THR 229 Cb 0.47 -0.60 -0.05 0.00 -1.82 0.00 0.00 70.33 68.33 1fq3 n THR 229 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1fq3 s LYS 230 N -1.54 3.07 0.21 -2.82 2.20 -0.09 -1.13 119.74 119.64 1fq3 s LYS 230 Ca 0.62 -1.15 -0.09 0.00 -0.36 0.00 0.00 55.97 54.99 1fq3 s LYS 230 Cb -0.65 -4.23 0.31 0.00 -1.51 0.00 0.00 37.83 31.75 1fq3 s LYS 230 CO 0.58 -1.53 1.72 0.28 -0.36 0.00 0.00 175.35 176.05 1fq3 h VAL 231 N 5.92 0.69 -0.84 4.02 2.07 -1.87 -1.57 116.25 124.68 1fq3 h VAL 231 Ca -0.29 -0.12 0.14 0.00 0.82 0.00 0.00 66.70 67.26 1fq3 h VAL 231 Cb 1.09 0.33 -0.14 0.00 -1.52 0.00 0.00 31.29 31.04 1fq3 h VAL 231 CO 1.09 0.06 -0.28 -0.24 0.02 0.00 0.00 177.57 178.22 1fq3 n SER 232 N -5.06 -0.46 0.20 0.57 2.88 -1.26 -1.30 113.62 109.20 1fq3 n SER 232 Ca 0.09 1.46 -0.15 0.00 -1.33 0.00 0.00 58.87 58.94 1fq3 n SER 232 Cb 0.31 -0.37 -0.08 0.00 -0.75 0.00 0.00 64.21 63.32 1fq3 n SER 232 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1fq3 h SER 233 N 0.00 -1.08 -0.14 -3.46 0.87 -1.56 -2.70 113.55 105.47 1fq3 h SER 233 Ca 0.33 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.99 1fq3 h SER 233 Cb 0.54 0.38 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 1fq3 h SER 233 CO -0.85 -0.51 0.00 0.49 -0.53 0.00 0.00 176.83 175.43 1fq3 n PHE 234 N -5.48 0.39 -0.13 2.24 3.01 -0.42 -4.18 117.46 112.90 1fq3 n PHE 234 Ca -0.09 -0.15 0.01 0.00 1.01 0.00 0.00 57.45 58.23 1fq3 n PHE 234 Cb 0.38 -0.13 0.29 0.00 -0.01 0.00 0.00 39.48 40.01 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 0.94 1.18 0.25 -4.37 2.07 -0.92 0.90 116.25 116.29 1fq3 h VAL 235 Ca 0.00 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1fq3 h VAL 235 Cb 0.63 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1fq3 h VAL 235 CO 0.07 0.19 -0.15 -0.74 0.02 0.00 0.00 177.57 176.96 1fq3 h HIS 236 N 0.83 -0.40 -0.11 1.57 -0.00 -1.81 -2.27 115.15 112.96 1fq3 h HIS 236 Ca 0.21 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.58 1fq3 h HIS 236 Cb -0.01 0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.54 1fq3 h HIS 236 CO 0.00 -0.24 0.07 2.35 -0.00 0.00 0.00 177.93 180.12 1fq3 h TRP 237 N -0.39 0.14 -1.08 5.26 7.01 -1.71 -0.56 115.95 124.63 1fq3 h TRP 237 Ca -0.02 0.00 0.29 0.00 2.11 0.00 0.00 58.89 61.27 1fq3 h TRP 237 Cb 0.32 -0.05 -0.10 0.00 -2.10 0.00 0.00 29.16 27.24 1fq3 h TRP 237 CO -0.09 0.11 0.69 0.82 -2.79 0.00 0.00 178.44 177.19 1fq3 h ILE 238 N 0.13 0.47 0.09 2.65 2.04 -0.70 0.34 117.51 122.53 1fq3 h ILE 238 Ca 0.04 -0.12 -0.26 0.00 1.00 0.00 0.00 64.86 65.53 1fq3 h ILE 238 Cb 0.01 0.10 0.01 0.00 -0.74 0.00 0.00 36.82 36.19 1fq3 h ILE 238 CO -0.01 0.06 -1.14 0.50 0.00 0.00 0.00 178.15 177.57 1fq3 h LYS 239 N 0.34 0.34 0.47 2.37 3.64 -0.71 -3.12 116.57 119.90 1fq3 h LYS 239 Ca 0.62 -0.48 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1fq3 h LYS 239 Cb 1.66 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.65 1fq3 h LYS 239 CO -0.31 1.19 -0.23 -0.22 -2.27 0.00 0.00 179.45 177.61 1fq3 h LYS 240 N 0.14 -0.61 -0.86 1.90 3.64 0.12 -3.20 116.57 117.70 1fq3 h LYS 240 Ca -0.12 0.04 0.14 0.00 -1.27 0.00 0.00 60.65 59.44 1fq3 h LYS 240 Cb 1.83 0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 33.72 1fq3 h LYS 240 CO 0.19 -0.40 0.56 1.79 -2.27 0.00 0.00 179.45 179.32 1fq3 h THR 241 N -0.73 0.83 0.00 1.00 1.35 -1.34 -2.41 112.91 111.62 1fq3 h THR 241 Ca -0.06 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1fq3 h THR 241 Cb 0.48 0.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.04 1fq3 h THR 241 CO 0.11 0.12 0.00 0.23 -0.25 0.00 0.00 175.52 175.72 1fq3 n MET 242 N -4.54 0.00 0.00 4.72 2.81 -1.18 -3.64 117.12 115.29 1fq3 n MET 242 Ca 0.17 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 1fq3 n MET 242 Cb 0.47 -0.95 0.00 0.00 -0.71 0.00 0.00 33.22 32.03 1fq3 n MET 242 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1fq3 n LYS 243 N -0.11 0.00 -2.53 0.03 2.85 -0.92 -5.07 118.16 112.41 1fq3 n LYS 243 Ca 0.00 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.86 1fq3 n LYS 243 Cb 0.00 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.34 1fq3 n LYS 243 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1fq3 s ARG 244 N -0.38 4.66 0.00 -1.58 0.52 -1.14 -5.17 118.95 115.86 1fq3 s ARG 244 Ca 0.00 1.73 0.00 0.00 -0.52 0.00 0.00 55.73 56.94 1fq3 s ARG 244 Cb 0.00 -3.24 0.00 0.00 0.52 0.00 0.00 34.95 32.23 1fq3 s ARG 244 CO 0.00 0.21 0.00 0.98 0.02 0.00 0.00 175.30 176.51