#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ffg s VAL 17 N 0.00 5.03 0.00 1.39 1.01 0.67 -4.10 120.40 124.39 3ffg s VAL 17 Ca 0.00 1.11 0.00 0.00 0.00 0.00 0.00 61.98 63.09 3ffg s VAL 17 Cb 0.00 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.46 3ffg s VAL 17 CO 0.00 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.80 3ffg n GLY 18 N 3.97 -0.42 7.00 4.51 0.00 -1.26 -1.89 105.19 117.10 3ffg n GLY 18 Ca -0.02 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.82 3ffg n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ffg n GLY 19 N 0.00 -0.67 3.19 -0.02 0.00 -1.26 -4.90 105.19 101.53 3ffg n GLY 19 Ca 0.00 -1.12 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 3ffg n GLY 19 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ffg s GLN 20 N 0.00 0.90 0.47 1.61 -2.07 -0.40 -4.97 119.66 115.20 3ffg s GLN 20 Ca 0.00 -1.35 -0.24 0.00 -1.82 0.00 0.00 55.36 51.95 3ffg s GLN 20 Cb 0.00 -0.37 -0.08 0.00 -1.09 0.00 0.00 33.01 31.47 3ffg s GLN 20 CO 0.00 0.02 1.24 0.39 -1.32 0.00 0.00 175.29 175.63 3ffg n GLU 21 N -0.03 1.73 -2.38 9.60 1.02 -1.26 -0.45 120.64 128.87 3ffg n GLU 21 Ca -0.12 0.62 -0.43 0.00 -0.02 0.00 0.00 57.16 57.21 3ffg n GLU 21 Cb 0.60 -2.39 -0.02 0.00 -0.02 0.00 0.00 31.44 29.61 3ffg n GLU 21 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ffg s LYS 23 N 4.10 1.66 -0.19 0.00 -0.14 -1.26 -4.89 119.74 119.01 3ffg s LYS 23 Ca 0.58 -0.16 -0.36 0.00 -1.36 0.00 0.00 55.97 54.66 3ffg s LYS 23 Cb -0.19 -1.99 -0.13 0.00 -1.68 0.00 0.00 37.83 33.84 3ffg s LYS 23 CO 0.22 -1.72 1.87 -3.47 -0.76 0.00 0.00 175.35 171.49 3ffg n ASP 24 N -3.32 2.92 0.00 2.83 4.64 -1.26 -1.27 116.55 121.09 3ffg n ASP 24 Ca 0.10 0.94 0.00 0.00 -1.38 0.00 0.00 54.79 54.45 3ffg n ASP 24 Cb 0.60 -1.28 0.00 0.00 -1.04 0.00 0.00 41.12 39.41 3ffg n ASP 24 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3ffg n GLY 25 N 4.60 0.99 0.09 0.27 0.00 -1.26 -4.93 105.19 104.94 3ffg n GLY 25 Ca 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.25 3ffg n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ffg h GLU 26 N 3.53 0.00 -1.94 1.61 5.08 -1.53 -3.39 114.58 117.94 3ffg h GLU 26 Ca 0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 3ffg h GLU 26 Cb 0.00 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 28.84 3ffg h GLU 26 CO 0.00 0.71 -1.02 0.00 -1.00 0.00 0.00 179.01 177.70 3ffg n PRO 28 N 0.05 0.20 0.00 0.00 -0.04 -1.26 -2.41 135.00 131.54 3ffg n PRO 28 Ca 0.26 0.40 0.14 0.00 -0.04 0.00 0.00 63.50 64.25 3ffg n PRO 28 Cb 0.60 -1.86 0.52 0.00 -0.04 0.00 0.00 33.50 32.73 3ffg n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3ffg n TRP 29 N -2.23 0.00 -2.20 0.54 2.14 -1.09 -1.63 117.44 112.97 3ffg n TRP 29 Ca 0.03 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.18 3ffg n TRP 29 Cb 0.25 -0.04 -0.03 0.00 -0.81 0.00 0.00 31.31 30.68 3ffg n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 3ffg s GLN 30 N -2.16 4.35 0.20 -2.67 2.00 -1.01 -0.78 119.66 119.59 3ffg s GLN 30 Ca 0.35 2.05 0.10 0.00 -2.00 0.00 0.00 55.36 55.86 3ffg s GLN 30 Cb 0.21 -3.23 -0.04 0.00 0.80 0.00 0.00 33.01 30.74 3ffg s GLN 30 CO 0.39 -0.35 -0.15 0.00 -0.50 0.00 0.00 175.29 174.69 3ffg s ALA 31 N 0.66 2.81 -0.12 1.58 0.00 0.04 -4.36 121.76 122.37 3ffg s ALA 31 Ca 0.61 -1.59 0.01 0.00 0.00 0.00 0.00 51.96 50.99 3ffg s ALA 31 Cb -0.36 -0.56 0.02 0.00 0.00 0.00 0.00 23.12 22.22 3ffg s ALA 31 CO 0.34 0.42 -0.15 -1.17 0.00 0.00 0.00 175.76 175.20 3ffg s LEU 32 N -2.93 1.69 -0.09 0.00 2.96 -0.17 -1.12 118.68 119.02 3ffg s LEU 32 Ca 0.25 -0.44 -0.26 0.00 -0.22 0.00 0.00 54.13 53.46 3ffg s LEU 32 Cb -0.08 -1.10 -0.03 0.00 0.50 0.00 0.00 46.19 45.48 3ffg s LEU 32 CO 0.14 -0.01 0.82 -0.76 -1.32 0.00 0.00 176.35 175.22 3ffg s LEU 33 N 1.13 4.28 -0.00 -0.68 1.43 -0.04 -0.31 118.68 124.48 3ffg s LEU 33 Ca -0.03 1.29 0.08 0.00 -1.03 0.00 0.00 54.13 54.44 3ffg s LEU 33 Cb -0.14 -3.25 -0.02 0.00 0.03 0.00 0.00 46.19 42.80 3ffg s LEU 33 CO -0.04 -0.26 -0.24 0.27 0.23 0.00 0.00 176.35 176.31 3ffg s ILE 34 N 1.36 1.91 0.00 -0.59 -4.36 -0.18 -1.26 121.20 118.07 3ffg s ILE 34 Ca 0.41 -1.09 0.00 0.00 -0.26 0.00 0.00 60.65 59.71 3ffg s ILE 34 Cb -0.18 -1.60 0.00 0.00 1.25 0.00 0.00 42.46 41.93 3ffg s ILE 34 CO 0.18 0.48 0.00 -0.46 0.24 0.00 0.00 174.94 175.39 3ffg n ASN 35 N 2.34 0.00 0.29 4.36 0.23 -0.70 -1.01 115.26 120.77 3ffg n ASN 35 Ca -0.16 -0.97 0.15 0.00 -0.53 0.00 0.00 54.58 53.06 3ffg n ASN 35 Cb 0.52 0.00 0.88 0.00 -2.08 0.00 0.00 39.78 39.10 3ffg n ASN 35 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3ffg h GLU 36 N 0.00 0.00 -0.00 -3.83 5.08 -1.91 0.11 114.58 114.03 3ffg h GLU 36 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ffg h GLU 36 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3ffg h GLU 36 CO 0.00 0.03 -0.02 0.39 -1.00 0.00 0.00 179.01 178.41 3ffg n GLU 37 N -3.79 1.05 -1.24 2.33 1.02 -1.26 -4.89 120.64 113.86 3ffg n GLU 37 Ca -0.03 -0.28 -0.07 0.00 -0.02 0.00 0.00 57.16 56.76 3ffg n GLU 37 Cb 0.12 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.01 3ffg n GLU 37 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3ffg n ASN 38 N -0.73 -3.80 -4.73 1.62 5.15 0.40 -5.02 115.26 108.15 3ffg n ASN 38 Ca 0.20 0.17 -0.35 0.00 -0.60 0.00 0.00 54.58 53.99 3ffg n ASN 38 Cb 0.21 -1.97 -0.09 0.00 -0.53 0.00 0.00 39.78 37.40 3ffg n ASN 38 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 3ffg s GLU 39 N -2.67 3.10 0.23 1.20 -1.05 -1.26 -4.82 118.70 113.43 3ffg s GLU 39 Ca 0.00 -0.34 -0.30 0.00 -0.15 0.00 0.00 54.97 54.18 3ffg s GLU 39 Cb 0.00 -2.89 -0.09 0.00 -0.44 0.00 0.00 34.13 30.71 3ffg s GLU 39 CO 0.00 0.72 1.09 0.20 0.95 0.00 0.00 175.26 178.22 3ffg s GLY 40 N -0.90 2.96 0.00 -3.83 0.00 -1.26 -1.72 107.32 102.57 3ffg s GLY 40 Ca 0.13 0.84 0.00 0.00 0.00 0.00 0.00 44.72 45.70 3ffg s GLY 40 CO 0.03 1.56 0.00 1.97 0.00 0.00 0.00 173.10 176.65 3ffg n PHE 41 N 1.77 0.00 -3.61 1.90 1.16 -0.39 -4.97 117.46 113.33 3ffg n PHE 41 Ca 0.01 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.48 3ffg n PHE 41 Cb 0.46 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.30 3ffg n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3ffg s GLY 43 N -2.82 1.80 0.29 0.00 0.00 0.47 -0.86 107.32 106.20 3ffg s GLY 43 Ca 0.05 -1.84 -0.12 0.00 0.00 0.00 0.00 44.72 42.81 3ffg s GLY 43 CO -0.07 -1.46 0.55 -0.32 0.00 0.00 0.00 173.10 171.81 3ffg s GLY 44 N -4.57 0.63 -0.09 0.20 0.00 -0.28 -3.43 107.32 99.78 3ffg s GLY 44 Ca 0.60 -0.92 0.04 0.00 0.00 0.00 0.00 44.72 44.44 3ffg s GLY 44 CO 0.38 -0.59 -0.22 -1.59 0.00 0.00 0.00 173.10 171.09 3ffg s THR 45 N -3.58 1.86 0.00 0.90 2.01 0.20 -0.78 115.64 116.26 3ffg s THR 45 Ca 0.22 -0.91 -0.30 0.00 0.31 0.00 0.00 61.69 61.01 3ffg s THR 45 Cb -0.02 -1.62 -0.05 0.00 0.01 0.00 0.00 72.50 70.82 3ffg s THR 45 CO 0.11 0.52 1.38 -0.63 -0.69 0.00 0.00 174.62 175.31 3ffg s ILE 46 N 0.39 3.75 -0.12 1.82 1.01 0.04 -0.66 121.20 127.42 3ffg s ILE 46 Ca -0.17 1.13 0.14 0.00 0.00 0.00 0.00 60.65 61.75 3ffg s ILE 46 Cb -0.17 -3.73 -0.20 0.00 0.01 0.00 0.00 42.46 38.37 3ffg s ILE 46 CO 0.08 0.00 0.12 0.18 0.00 0.00 0.00 174.94 175.31 3ffg n LEU 47 N 5.28 0.00 0.00 2.97 4.77 -0.39 -1.62 117.00 128.02 3ffg n LEU 47 Ca 0.13 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.08 3ffg n LEU 47 Cb 0.44 0.29 0.02 0.00 -2.33 0.00 0.00 43.42 41.84 3ffg n LEU 47 CO 0.58 0.29 0.80 -1.54 -1.33 0.00 0.00 177.39 176.19 3ffg n SER 48 N -2.45 -1.60 0.29 -1.43 3.41 -1.18 -4.74 113.62 105.92 3ffg n SER 48 Ca -0.20 -1.80 0.17 0.00 -0.26 0.00 0.00 58.87 56.78 3ffg n SER 48 Cb 0.87 2.59 0.83 0.00 -0.26 0.00 0.00 64.21 68.24 3ffg n SER 48 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 3ffg h GLU 49 N 0.00 0.00 0.00 4.33 4.11 -1.98 -3.06 114.58 117.98 3ffg h GLU 49 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.18 3ffg h GLU 49 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3ffg h GLU 49 CO 0.34 0.05 -0.78 1.19 0.07 0.00 0.00 179.01 179.88 3ffg n PHE 50 N -3.26 0.00 -4.94 2.06 3.72 -1.26 -0.07 117.46 113.70 3ffg n PHE 50 Ca -0.01 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.13 3ffg n PHE 50 Cb 0.23 -0.06 -0.16 0.00 -0.94 0.00 0.00 39.48 38.55 3ffg n PHE 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 3ffg s TYR 51 N -2.28 1.77 -0.05 1.38 2.02 -1.16 -0.57 117.35 118.46 3ffg s TYR 51 Ca 0.03 -0.37 0.06 0.00 -0.37 0.00 0.00 57.07 56.42 3ffg s TYR 51 Cb 0.09 -1.15 -0.01 0.00 -0.40 0.00 0.00 41.96 40.49 3ffg s TYR 51 CO 0.49 -0.06 -0.25 0.42 -1.57 0.00 0.00 175.55 174.58 3ffg s ILE 52 N -0.36 2.04 -0.11 2.71 -1.09 -0.50 -1.26 121.20 122.63 3ffg s ILE 52 Ca 0.05 -1.07 -0.12 0.00 -2.23 0.00 0.00 60.65 57.29 3ffg s ILE 52 Cb -0.08 -1.73 -0.05 0.00 -1.58 0.00 0.00 42.46 39.02 3ffg s ILE 52 CO -0.00 0.57 0.27 -0.22 -1.23 0.00 0.00 174.94 174.32 3ffg s LEU 53 N -0.20 4.34 0.00 2.97 2.96 0.17 -0.91 118.68 128.00 3ffg s LEU 53 Ca -0.02 0.59 -0.01 0.00 -0.22 0.00 0.00 54.13 54.47 3ffg s LEU 53 Cb -0.13 -2.32 0.00 0.00 0.50 0.00 0.00 46.19 44.24 3ffg s LEU 53 CO 0.03 0.25 0.06 1.07 -1.32 0.00 0.00 176.35 176.44 3ffg n THR 54 N 2.67 0.00 -3.74 3.68 5.66 -0.31 -0.63 114.28 121.62 3ffg n THR 54 Ca -0.15 -0.15 -0.37 0.00 -3.05 0.00 0.00 64.05 60.32 3ffg n THR 54 Cb 0.53 0.11 -0.06 0.00 -1.55 0.00 0.00 70.33 69.35 3ffg n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3ffg s ALA 55 N -1.51 3.80 0.35 1.79 0.00 -1.26 -1.13 121.76 123.81 3ffg s ALA 55 Ca 0.02 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.50 3ffg s ALA 55 Cb -0.00 -2.12 0.63 0.00 0.00 0.00 0.00 23.12 21.62 3ffg s ALA 55 CO 0.02 0.53 2.01 0.00 0.00 0.00 0.00 175.76 178.32 3ffg h ALA 56 N 5.06 1.55 0.00 0.00 0.00 -1.71 -2.23 119.26 121.93 3ffg h ALA 56 Ca -0.53 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3ffg h ALA 56 Cb 1.22 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3ffg h ALA 56 CO 0.61 0.42 0.00 1.12 0.00 0.00 0.00 179.25 181.40 3ffg h HIS 57 N 0.87 0.00 0.00 0.00 2.07 -1.92 -1.65 115.15 114.52 3ffg h HIS 57 Ca 0.24 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.71 3ffg h HIS 57 Cb -0.10 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.88 3ffg h HIS 57 CO -0.00 0.00 -0.23 0.00 -3.07 0.00 0.00 177.93 174.63 3ffg n LEU 59 N -3.44 0.50 -0.51 0.00 4.77 -0.62 -1.36 117.00 116.34 3ffg n LEU 59 Ca -0.00 0.62 0.13 0.00 -0.03 0.00 0.00 56.01 56.73 3ffg n LEU 59 Cb 0.42 -0.54 0.42 0.00 -2.33 0.00 0.00 43.42 41.39 3ffg n LEU 59 CO 0.33 -0.45 0.78 -1.22 -1.33 0.00 0.00 177.39 175.51 3ffg n TYR 60 N -2.04 0.00 1.09 -1.77 4.02 -1.18 -4.22 117.16 113.06 3ffg n TYR 60 Ca 0.03 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.04 3ffg n TYR 60 Cb 0.23 -0.02 0.18 0.00 -0.02 0.00 0.00 39.34 39.71 3ffg n TYR 60 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 3ffg n GLN 61 N 0.20 0.57 -3.64 -0.72 1.13 -0.46 -4.89 117.38 109.57 3ffg n GLN 61 Ca 0.17 -0.39 -0.09 0.00 -1.94 0.00 0.00 57.00 54.75 3ffg n GLN 61 Cb 0.39 -1.49 -0.07 0.00 0.11 0.00 0.00 30.24 29.18 3ffg n GLN 61 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3ffg s ALA 61 N -2.71 -1.84 0.02 -1.58 0.00 -1.26 -5.07 121.76 109.33 3ffg s ALA 61 Ca 0.17 2.33 -0.17 0.00 0.00 0.00 0.00 51.96 54.28 3ffg s ALA 61 Cb 0.18 -1.37 -0.10 0.00 0.00 0.00 0.00 23.12 21.84 3ffg s ALA 61 CO 0.64 -0.37 1.20 0.87 0.00 0.00 0.00 175.76 178.10 3ffg h LYS 62 N 6.57 -0.60 -5.50 0.00 1.79 -1.90 -3.43 116.57 113.50 3ffg h LYS 62 Ca -0.30 0.04 -0.67 0.00 -2.18 0.00 0.00 60.65 57.54 3ffg h LYS 62 Cb 1.21 0.14 -0.30 0.00 -1.58 0.00 0.00 32.23 31.71 3ffg h LYS 62 CO 0.14 -0.40 -0.83 1.03 -1.08 0.00 0.00 179.45 178.31 3ffg s ARG 63 N -4.26 3.07 0.07 3.15 1.81 -1.26 -5.13 118.95 116.41 3ffg s ARG 63 Ca -0.09 -0.79 -0.00 0.00 -1.72 0.00 0.00 55.73 53.12 3ffg s ARG 63 Cb 0.01 -2.42 -0.04 0.00 -0.45 0.00 0.00 34.95 32.05 3ffg s ARG 63 CO 0.27 0.26 -0.02 -0.59 -0.68 0.00 0.00 175.30 174.54 3ffg s PHE 64 N 0.19 0.66 0.46 -0.53 -0.12 -1.26 -3.70 117.98 113.68 3ffg s PHE 64 Ca -0.11 -1.06 0.02 0.00 -0.05 0.00 0.00 56.93 55.73 3ffg s PHE 64 Cb -0.16 -0.44 -0.02 0.00 -0.63 0.00 0.00 43.02 41.77 3ffg s PHE 64 CO 0.06 -0.35 0.05 0.15 -0.05 0.00 0.00 175.22 175.08 3ffg s LYS 65 N -3.92 2.08 -0.12 1.99 1.02 -0.18 -4.49 119.74 116.12 3ffg s LYS 65 Ca 0.11 -2.30 0.03 0.00 0.02 0.00 0.00 55.97 53.83 3ffg s LYS 65 Cb 0.07 -1.20 0.01 0.00 -0.52 0.00 0.00 37.83 36.19 3ffg s LYS 65 CO -0.07 -0.38 -0.22 0.08 -0.92 0.00 0.00 175.35 173.85 3ffg s VAL 66 N -2.99 1.97 -0.14 3.17 1.01 0.08 -1.02 120.40 122.48 3ffg s VAL 66 Ca 0.14 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 3ffg s VAL 66 Cb 0.03 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 3ffg s VAL 66 CO 0.08 0.54 0.04 -0.60 0.00 0.00 0.00 175.10 175.15 3ffg s ARG 67 N 0.64 3.55 0.22 2.72 3.52 0.57 0.11 118.95 130.28 3ffg s ARG 67 Ca -0.12 -0.37 0.11 0.00 -0.13 0.00 0.00 55.73 55.23 3ffg s ARG 67 Cb -0.16 -3.03 -0.05 0.00 -1.56 0.00 0.00 34.95 30.15 3ffg s ARG 67 CO 0.03 0.46 -0.22 0.14 -0.81 0.00 0.00 175.30 174.90 3ffg s VAL 68 N -0.19 2.31 0.00 7.11 -7.23 -0.25 -1.00 120.40 121.15 3ffg s VAL 68 Ca 0.06 -2.15 0.00 0.00 -1.81 0.00 0.00 61.98 58.08 3ffg s VAL 68 Cb -0.12 -2.15 0.00 0.00 0.56 0.00 0.00 36.38 34.67 3ffg s VAL 68 CO 0.02 -0.25 0.00 0.61 -0.31 0.00 0.00 175.10 175.17 3ffg n GLY 69 N -0.05 0.72 3.84 2.32 0.00 -1.25 -1.54 105.19 109.22 3ffg n GLY 69 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 3ffg n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ffg s ASP 70 N -2.41 6.74 0.00 1.61 2.15 -1.26 -4.18 116.67 119.31 3ffg s ASP 70 Ca 0.00 0.88 0.00 0.00 0.43 0.00 0.00 52.55 53.86 3ffg s ASP 70 Cb 0.00 -2.22 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 3ffg s ASP 70 CO 0.00 0.32 0.00 0.54 -0.17 0.00 0.00 175.17 175.86 3ffg n ARG 71 N 1.95 1.70 -3.62 4.34 1.74 -1.26 -4.86 116.66 116.65 3ffg n ARG 71 Ca -0.15 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.68 3ffg n ARG 71 Cb 0.53 -0.84 -0.17 0.00 -1.02 0.00 0.00 32.46 30.95 3ffg n ARG 71 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3ffg s ASN 72 N -1.50 2.32 0.00 0.55 2.47 -1.25 -1.10 114.94 116.42 3ffg s ASN 72 Ca 0.00 -0.59 0.27 0.00 0.42 0.00 0.00 52.86 52.96 3ffg s ASN 72 Cb 0.00 -0.26 1.23 0.00 -1.45 0.00 0.00 41.25 40.77 3ffg s ASN 72 CO 0.00 -0.34 1.88 0.35 -3.72 0.00 0.00 177.10 175.27 3ffg n THR 73 N 5.26 0.16 0.09 -5.21 -2.24 0.06 -3.50 114.28 108.91 3ffg n THR 73 Ca -0.07 0.04 -0.05 0.00 -2.27 0.00 0.00 64.05 61.71 3ffg n THR 73 Cb 0.49 -0.59 0.13 0.00 -2.10 0.00 0.00 70.33 68.25 3ffg n THR 73 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3ffg h GLU 74 N 0.00 0.20 -4.12 -0.78 4.39 -1.96 -3.46 114.58 108.85 3ffg h GLU 74 Ca 0.00 -0.14 -0.12 0.00 0.34 0.00 0.00 59.36 59.44 3ffg h GLU 74 Cb 0.36 0.02 -0.14 0.00 -0.10 0.00 0.00 28.75 28.89 3ffg h GLU 74 CO 0.00 0.75 -0.54 -0.65 -1.16 0.00 0.00 179.01 177.41 3ffg s GLN 75 N -3.72 0.82 0.04 2.33 -0.21 -1.23 -5.15 119.66 112.54 3ffg s GLN 75 Ca -0.03 -1.19 -0.20 0.00 0.02 0.00 0.00 55.36 53.95 3ffg s GLN 75 Cb 0.12 0.28 -0.06 0.00 1.00 0.00 0.00 33.01 34.35 3ffg s GLN 75 CO 0.79 -0.23 0.57 -1.83 -2.12 0.00 0.00 175.29 172.47 3ffg s GLU 76 N -3.94 4.24 -0.02 2.91 4.04 -1.26 -4.82 118.70 119.84 3ffg s GLU 76 Ca 0.12 0.71 0.15 0.00 0.04 0.00 0.00 54.97 55.99 3ffg s GLU 76 Cb 0.06 -3.28 -0.22 0.00 0.02 0.00 0.00 34.13 30.71 3ffg s GLU 76 CO -0.06 0.53 0.33 0.39 -1.84 0.00 0.00 175.26 174.60 3ffg n GLU 77 N 2.16 0.52 0.00 -4.83 1.02 -1.26 -4.99 120.64 113.26 3ffg n GLU 77 Ca -0.09 -0.13 0.00 0.00 -0.02 0.00 0.00 57.16 56.92 3ffg n GLU 77 Cb 0.51 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 3ffg n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ffg n GLY 78 N 1.67 0.57 0.02 0.62 0.00 -1.26 -4.91 105.19 101.89 3ffg n GLY 78 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.11 3ffg n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ffg n GLY 79 N -1.67 -1.14 3.78 -0.02 0.00 -1.26 -4.95 105.19 99.94 3ffg n GLY 79 Ca 0.00 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 3ffg n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ffg s GLU 80 N -3.19 3.30 -0.11 1.61 8.01 -1.26 -4.61 118.70 122.45 3ffg s GLU 80 Ca 0.03 1.43 -0.09 0.00 0.01 0.00 0.00 54.97 56.35 3ffg s GLU 80 Cb 0.15 -2.01 0.03 0.00 -4.31 0.00 0.00 34.13 27.99 3ffg s GLU 80 CO 0.83 -0.86 0.29 0.00 0.01 0.00 0.00 175.26 175.53 3ffg s ALA 81 N -2.08 -0.72 -0.12 5.21 0.00 -0.59 -5.00 121.76 118.46 3ffg s ALA 81 Ca 0.68 0.91 -0.05 0.00 0.00 0.00 0.00 51.96 53.51 3ffg s ALA 81 Cb -0.20 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 3ffg s ALA 81 CO 0.31 -0.16 0.05 0.08 0.00 0.00 0.00 175.76 176.05 3ffg s VAL 82 N 0.43 4.75 -0.04 0.00 1.01 -1.26 -1.09 120.40 124.21 3ffg s VAL 82 Ca -0.02 -0.07 0.04 0.00 0.00 0.00 0.00 61.98 61.93 3ffg s VAL 82 Cb -0.04 -3.05 -0.00 0.00 0.00 0.00 0.00 36.38 33.29 3ffg s VAL 82 CO -0.02 0.58 -0.15 -1.00 0.00 0.00 0.00 175.10 174.51 3ffg s HIS 83 N -0.64 1.52 0.44 5.22 3.76 0.12 -4.98 115.29 120.73 3ffg s HIS 83 Ca 0.11 -0.41 -0.19 0.00 -0.15 0.00 0.00 55.06 54.42 3ffg s HIS 83 Cb -0.12 -1.03 -0.10 0.00 1.11 0.00 0.00 32.58 32.45 3ffg s HIS 83 CO 0.02 -0.14 0.94 -1.21 -0.85 0.00 0.00 174.74 173.51 3ffg s GLU 84 N 0.04 4.13 -0.15 1.40 2.02 -1.26 -0.74 118.70 124.14 3ffg s GLU 84 Ca -0.03 1.04 -0.17 0.00 0.02 0.00 0.00 54.97 55.83 3ffg s GLU 84 Cb -0.10 -2.19 -0.04 0.00 0.10 0.00 0.00 34.13 31.90 3ffg s GLU 84 CO 0.02 -0.08 0.42 0.08 0.02 0.00 0.00 175.26 175.71 3ffg s VAL 85 N -2.28 5.22 -0.18 2.63 1.01 -1.26 -1.10 120.40 124.43 3ffg s VAL 85 Ca 0.60 0.81 -0.17 0.00 0.00 0.00 0.00 61.98 63.22 3ffg s VAL 85 Cb -0.09 -3.76 -0.21 0.00 0.00 0.00 0.00 36.38 32.32 3ffg s VAL 85 CO 0.18 0.32 0.26 -0.08 0.00 0.00 0.00 175.10 175.78 3ffg h GLU 86 N 6.87 0.08 -4.48 2.72 4.81 -0.91 -3.44 114.58 120.23 3ffg h GLU 86 Ca -0.40 -0.14 -0.44 0.00 -0.13 0.00 0.00 59.36 58.26 3ffg h GLU 86 Cb 1.17 0.05 -0.32 0.00 0.63 0.00 0.00 28.75 30.28 3ffg h GLU 86 CO 0.75 1.07 -0.79 0.08 -0.73 0.00 0.00 179.01 179.39 3ffg s VAL 87 N -2.42 0.80 -0.22 0.32 1.01 -0.92 -5.01 120.40 113.96 3ffg s VAL 87 Ca -0.27 -0.34 -0.08 0.00 0.00 0.00 0.00 61.98 61.30 3ffg s VAL 87 Cb 0.06 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 3ffg s VAL 87 CO 0.64 0.26 0.08 -0.69 0.00 0.00 0.00 175.10 175.39 3ffg s VAL 88 N 0.41 4.62 -0.41 2.92 1.01 -1.26 -1.15 120.40 126.53 3ffg s VAL 88 Ca -0.07 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.84 3ffg s VAL 88 Cb -0.11 -3.12 0.11 0.00 0.00 0.00 0.00 36.38 33.26 3ffg s VAL 88 CO 0.01 0.39 0.16 -0.63 0.00 0.00 0.00 175.10 175.03 3ffg s ILE 89 N 1.02 2.79 -0.12 2.22 1.01 0.22 -5.02 121.20 123.31 3ffg s ILE 89 Ca 0.04 -2.41 -0.08 0.00 0.00 0.00 0.00 60.65 58.20 3ffg s ILE 89 Cb -0.14 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 3ffg s ILE 89 CO 0.03 -0.68 0.16 -0.75 0.00 0.00 0.00 174.94 173.70 3ffg s LYS 90 N 0.76 3.58 0.15 2.79 2.20 -1.26 -0.79 119.74 127.17 3ffg s LYS 90 Ca 0.11 -0.10 -0.31 0.00 -0.36 0.00 0.00 55.97 55.31 3ffg s LYS 90 Cb -0.21 -3.22 -0.10 0.00 -1.51 0.00 0.00 37.83 32.78 3ffg s LYS 90 CO -0.05 0.71 1.69 -1.58 -0.36 0.00 0.00 175.35 175.75 3ffg s HIS 91 N -0.83 2.69 -0.78 4.03 5.65 -0.98 -4.85 115.29 120.22 3ffg s HIS 91 Ca 0.15 0.33 0.18 0.00 0.25 0.00 0.00 55.06 55.97 3ffg s HIS 91 Cb -0.12 -4.06 0.77 0.00 -1.18 0.00 0.00 32.58 27.99 3ffg s HIS 91 CO 0.04 -4.11 1.56 0.27 -0.65 0.00 0.00 174.74 171.85 3ffg n ASN 92 N 4.67 0.28 -0.76 9.88 0.23 -1.26 -2.23 115.26 126.07 3ffg n ASN 92 Ca 0.16 0.57 0.12 0.00 -0.53 0.00 0.00 54.58 54.90 3ffg n ASN 92 Cb 0.38 -0.63 0.17 0.00 -2.08 0.00 0.00 39.78 37.62 3ffg n ASN 92 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3ffg n ARG 93 N -1.81 1.93 -2.02 -3.83 1.74 -1.26 -4.95 116.66 106.47 3ffg n ARG 93 Ca 0.03 -1.52 -0.41 0.00 -0.77 0.00 0.00 57.85 55.18 3ffg n ARG 93 Cb 0.19 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.15 3ffg n ARG 93 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3ffg s PHE 94 N -2.11 2.95 -0.08 -1.55 5.36 -0.95 -4.73 117.98 116.86 3ffg s PHE 94 Ca 0.28 1.24 -0.11 0.00 -0.96 0.00 0.00 56.93 57.37 3ffg s PHE 94 Cb 0.20 -3.79 0.03 0.00 -0.34 0.00 0.00 43.02 39.11 3ffg s PHE 94 CO 0.37 -2.34 0.29 -0.08 -1.46 0.00 0.00 175.22 172.00 3ffg s THR 95 N -0.76 0.02 -1.13 0.12 -1.32 -1.24 -5.03 115.64 106.30 3ffg s THR 95 Ca 0.53 -0.16 0.17 0.00 -1.21 0.00 0.00 61.69 61.01 3ffg s THR 95 Cb -0.42 -0.47 0.18 0.00 -1.51 0.00 0.00 72.50 70.28 3ffg s THR 95 CO 0.52 -0.09 1.52 2.29 -2.21 0.00 0.00 174.62 176.65 3ffg n LYS 96 N 2.42 0.07 -0.01 7.08 2.85 -1.26 -0.04 118.16 129.26 3ffg n LYS 96 Ca -0.16 0.19 -0.07 0.00 -1.05 0.00 0.00 58.31 57.22 3ffg n LYS 96 Cb 0.57 -1.50 0.10 0.00 -0.65 0.00 0.00 35.03 33.55 3ffg n LYS 96 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 3ffg h GLU 97 N 0.00 0.58 0.00 -1.58 4.39 -1.99 -3.36 114.58 112.63 3ffg h GLU 97 Ca 0.00 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.41 3ffg h GLU 97 Cb 0.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 3ffg h GLU 97 CO 0.00 0.88 -0.76 0.25 -1.16 0.00 0.00 179.01 178.23 3ffg n THR 98 N -4.03 0.00 -1.39 1.13 -2.24 -1.06 -5.00 114.28 101.69 3ffg n THR 98 Ca -0.02 -0.08 -0.14 0.00 -2.27 0.00 0.00 64.05 61.55 3ffg n THR 98 Cb 0.52 0.55 -0.06 0.00 -2.10 0.00 0.00 70.33 69.23 3ffg n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3ffg n TYR 99 N -1.29 -0.05 -2.06 4.78 4.02 0.94 -4.98 117.16 118.52 3ffg n TYR 99 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.56 3ffg n TYR 99 Cb 0.00 -2.91 0.01 0.00 -0.02 0.00 0.00 39.34 36.42 3ffg n TYR 99 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3ffg s ASP 100 N -2.42 5.75 -1.35 7.72 2.15 -1.26 -3.81 116.67 123.46 3ffg s ASP 100 Ca 0.00 1.86 -0.08 0.00 0.43 0.00 0.00 52.55 54.76 3ffg s ASP 100 Cb 0.00 -2.54 0.01 0.00 -0.30 0.00 0.00 42.92 40.09 3ffg s ASP 100 CO 0.00 -1.19 1.09 0.49 -0.17 0.00 0.00 175.17 175.39 3ffg n PHE 101 N -1.96 -2.71 -2.62 -5.34 3.72 -1.26 -3.73 117.46 103.56 3ffg n PHE 101 Ca 0.09 0.93 -0.43 0.00 -0.05 0.00 0.00 57.45 57.99 3ffg n PHE 101 Cb 0.53 -4.88 -0.00 0.00 -0.94 0.00 0.00 39.48 34.19 3ffg n PHE 101 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3ffg s ASP 102 N -3.24 6.84 -0.17 4.37 2.15 -1.25 -4.17 116.67 121.21 3ffg s ASP 102 Ca 0.54 -2.45 -0.19 0.00 0.43 0.00 0.00 52.55 50.88 3ffg s ASP 102 Cb -0.24 -2.56 0.05 0.00 -0.30 0.00 0.00 42.92 39.87 3ffg s ASP 102 CO 0.67 -1.15 0.52 -0.51 -0.17 0.00 0.00 175.17 174.53 3ffg s ILE 103 N 4.01 0.00 0.03 4.11 2.07 -1.26 -4.06 121.20 126.09 3ffg s ILE 103 Ca 0.52 -0.04 -0.12 0.00 -1.41 0.00 0.00 60.65 59.61 3ffg s ILE 103 Cb 0.03 -0.74 0.01 0.00 0.13 0.00 0.00 42.46 41.89 3ffg s ILE 103 CO 0.06 -0.02 0.25 0.00 -1.91 0.00 0.00 174.94 173.32 3ffg s ALA 104 N 0.04 -0.54 -0.04 1.50 0.00 -0.28 -2.31 121.76 120.13 3ffg s ALA 104 Ca -0.02 -0.07 0.06 0.00 0.00 0.00 0.00 51.96 51.93 3ffg s ALA 104 Cb -0.03 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 3ffg s ALA 104 CO 0.02 -0.35 -0.23 0.08 0.00 0.00 0.00 175.76 175.27 3ffg s VAL 105 N -2.26 1.89 -0.14 0.00 1.01 0.03 -1.16 120.40 119.76 3ffg s VAL 105 Ca -0.07 -0.99 -0.02 0.00 0.00 0.00 0.00 61.98 60.90 3ffg s VAL 105 Cb -0.02 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.75 3ffg s VAL 105 CO -0.02 0.53 -0.09 -0.76 0.00 0.00 0.00 175.10 174.76 3ffg s LEU 106 N -0.26 2.94 -0.14 3.92 1.43 -0.09 -0.61 118.68 125.86 3ffg s LEU 106 Ca 0.01 -0.25 -0.13 0.00 -1.03 0.00 0.00 54.13 52.73 3ffg s LEU 106 Cb -0.12 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 3ffg s LEU 106 CO 0.02 0.16 0.28 -0.60 0.23 0.00 0.00 176.35 176.44 3ffg s ARG 107 N 0.41 4.14 0.33 1.70 3.52 -0.30 -1.41 118.95 127.32 3ffg s ARG 107 Ca -0.07 0.09 -0.07 0.00 -0.13 0.00 0.00 55.73 55.54 3ffg s ARG 107 Cb -0.15 -3.38 -0.06 0.00 -1.56 0.00 0.00 34.95 29.80 3ffg s ARG 107 CO 0.04 0.34 0.63 -0.51 -0.81 0.00 0.00 175.30 175.00 3ffg s LEU 108 N 0.15 3.98 0.24 -0.88 1.43 0.27 -0.32 118.68 123.55 3ffg s LEU 108 Ca 0.17 0.87 0.03 0.00 -1.03 0.00 0.00 54.13 54.17 3ffg s LEU 108 Cb -0.13 -3.71 0.26 0.00 0.03 0.00 0.00 46.19 42.64 3ffg s LEU 108 CO 0.04 -0.26 1.58 0.50 0.23 0.00 0.00 176.35 178.44 3ffg h LYS 109 N 1.56 0.32 -5.53 1.70 3.64 -1.41 -3.41 116.57 113.44 3ffg h LYS 109 Ca -0.47 -0.20 -0.45 0.00 -1.27 0.00 0.00 60.65 58.26 3ffg h LYS 109 Cb 1.19 0.02 -0.22 0.00 -0.41 0.00 0.00 32.23 32.81 3ffg h LYS 109 CO 0.65 0.78 -0.79 0.95 -2.27 0.00 0.00 179.45 178.77 3ffg s THR 110 N -3.91 1.24 0.34 1.00 -4.23 -1.26 -5.02 115.64 103.80 3ffg s THR 110 Ca -0.05 -1.35 -0.27 0.00 -1.18 0.00 0.00 61.69 58.84 3ffg s THR 110 Cb 0.12 -1.18 -0.09 0.00 1.34 0.00 0.00 72.50 72.69 3ffg s THR 110 CO 0.80 -0.18 1.15 -2.16 -0.54 0.00 0.00 174.62 173.69 3ffg s PRO 111 N -1.76 4.34 0.18 3.99 0.04 -1.26 -4.85 135.00 135.68 3ffg s PRO 111 Ca -0.00 1.85 -0.30 0.00 0.04 0.00 0.00 61.00 62.59 3ffg s PRO 111 Cb -0.10 -2.92 -0.08 0.00 0.04 0.00 0.00 34.50 31.44 3ffg s PRO 111 CO 0.03 -0.08 1.24 0.42 0.04 0.00 0.00 177.00 178.65 3ffg s ILE 112 N -1.30 3.46 -0.33 0.56 1.01 0.89 -5.01 121.20 120.49 3ffg s ILE 112 Ca 0.51 1.21 -0.23 0.00 0.00 0.00 0.00 60.65 62.14 3ffg s ILE 112 Cb -0.32 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.39 3ffg s ILE 112 CO 0.41 0.18 0.76 -0.89 0.00 0.00 0.00 174.94 175.40 3ffg s THR 113 N 0.09 4.79 0.36 2.92 2.01 -1.26 -4.77 115.64 119.78 3ffg s THR 113 Ca 0.55 1.01 -0.25 0.00 0.31 0.00 0.00 61.69 63.31 3ffg s THR 113 Cb -0.34 -4.15 -0.10 0.00 0.01 0.00 0.00 72.50 67.93 3ffg s THR 113 CO 0.37 -0.30 0.97 -0.36 -0.69 0.00 0.00 174.62 174.61 3ffg s PHE 114 N 2.95 3.51 0.04 4.92 0.08 -1.26 -4.88 117.98 123.34 3ffg s PHE 114 Ca 0.31 1.72 -0.16 0.00 0.12 0.00 0.00 56.93 58.92 3ffg s PHE 114 Cb -0.14 -2.96 0.05 0.00 -0.57 0.00 0.00 43.02 39.40 3ffg s PHE 114 CO 0.14 -0.06 0.72 2.89 -0.10 0.00 0.00 175.22 178.81 3ffg n ARG 115 N 0.18 0.24 -1.68 0.44 1.85 -0.47 -4.99 116.66 112.23 3ffg n ARG 115 Ca 0.04 -0.67 -0.45 0.00 -1.00 0.00 0.00 57.85 55.77 3ffg n ARG 115 Cb 0.51 0.99 -0.04 0.00 -1.05 0.00 0.00 32.46 32.87 3ffg n ARG 115 CO 0.00 0.00 0.00 -0.12 -0.01 0.00 0.00 177.63 177.50 3ffg n MET 116 N -0.52 2.33 -0.94 2.89 0.00 -1.26 -0.76 117.12 118.86 3ffg n MET 116 Ca 0.01 0.84 0.00 0.00 -0.00 0.00 0.00 57.70 58.55 3ffg n MET 116 Cb 0.36 -2.64 0.00 0.00 0.00 0.00 0.00 33.22 30.94 3ffg n MET 116 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3ffg n ASN 117 N 3.79 -1.61 -3.66 6.12 3.02 -1.26 -4.97 115.26 116.69 3ffg n ASN 117 Ca 0.17 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.44 3ffg n ASN 117 Cb 0.31 -0.78 -0.16 0.00 -0.61 0.00 0.00 39.78 38.53 3ffg n ASN 117 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ffg s VAL 118 N -2.68 0.27 -0.02 2.41 1.01 0.06 -3.94 120.40 117.52 3ffg s VAL 118 Ca 0.00 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.11 3ffg s VAL 118 Cb 0.00 -0.96 0.07 0.00 0.00 0.00 0.00 36.38 35.49 3ffg s VAL 118 CO 0.00 -0.38 0.68 0.00 0.00 0.00 0.00 175.10 175.40 3ffg s ALA 119 N 1.96 -1.75 0.52 5.51 0.00 -0.65 -1.36 121.76 125.99 3ffg s ALA 119 Ca 0.03 1.19 -0.17 0.00 0.00 0.00 0.00 51.96 53.00 3ffg s ALA 119 Cb -0.17 0.13 -0.07 0.00 0.00 0.00 0.00 23.12 23.01 3ffg s ALA 119 CO -0.16 -0.44 1.01 -1.25 0.00 0.00 0.00 175.76 174.92 3ffg s PRO 120 N -1.63 3.78 0.34 0.00 0.04 -1.26 -2.69 135.00 133.57 3ffg s PRO 120 Ca -0.09 1.11 -0.08 0.00 0.04 0.00 0.00 61.00 61.99 3ffg s PRO 120 Cb -0.00 -2.11 -0.06 0.00 0.04 0.00 0.00 34.50 32.37 3ffg s PRO 120 CO 0.06 -0.42 0.65 0.00 0.04 0.00 0.00 177.00 177.33 3ffg s ALA 121 N -2.42 3.50 0.20 8.56 0.00 -0.64 -4.86 121.76 126.10 3ffg s ALA 121 Ca 0.62 -0.39 -0.30 0.00 0.00 0.00 0.00 51.96 51.89 3ffg s ALA 121 Cb -0.12 -2.48 -0.08 0.00 0.00 0.00 0.00 23.12 20.43 3ffg s ALA 121 CO 0.29 0.14 0.93 0.00 0.00 0.00 0.00 175.76 177.12 3ffg s LEU 123 N -0.92 4.22 0.73 0.00 1.43 -1.26 -0.78 118.68 122.09 3ffg s LEU 123 Ca 0.42 1.05 -0.09 0.00 -1.03 0.00 0.00 54.13 54.48 3ffg s LEU 123 Cb -0.25 -3.05 0.05 0.00 0.03 0.00 0.00 46.19 42.98 3ffg s LEU 123 CO 0.31 -0.24 1.08 -2.16 0.23 0.00 0.00 176.35 175.57 3ffg s PRO 124 N 1.52 2.30 0.35 1.29 0.04 -1.26 -5.01 135.00 134.23 3ffg s PRO 124 Ca 0.34 0.03 -0.18 0.00 0.04 0.00 0.00 61.00 61.23 3ffg s PRO 124 Cb -0.17 -2.07 -0.10 0.00 0.04 0.00 0.00 34.50 32.20 3ffg s PRO 124 CO 0.14 -1.28 0.82 -1.21 0.04 0.00 0.00 177.00 175.51 3ffg s GLU 124 N -5.36 4.16 0.06 4.56 2.02 -1.26 -4.97 118.70 117.90 3ffg s GLU 124 Ca 0.60 0.90 -0.36 0.00 0.02 0.00 0.00 54.97 56.12 3ffg s GLU 124 Cb -0.11 -2.43 -0.20 0.00 0.10 0.00 0.00 34.13 31.49 3ffg s GLU 124 CO 0.48 0.13 1.54 -0.09 0.02 0.00 0.00 175.26 177.34 3ffg h ARG 125 N 2.36 -1.25 -0.62 1.61 2.43 -1.98 -0.03 114.38 116.90 3ffg h ARG 125 Ca -0.48 0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 58.77 3ffg h ARG 125 Cb 1.18 0.28 -0.03 0.00 -0.42 0.00 0.00 29.97 30.98 3ffg h ARG 125 CO 0.64 -0.83 0.36 -0.44 -1.51 0.00 0.00 179.97 178.19 3ffg h ASP 126 N -1.29 0.76 -0.45 -3.80 3.45 -1.96 -1.26 116.42 111.87 3ffg h ASP 126 Ca -0.13 -0.07 -0.07 0.00 0.43 0.00 0.00 57.03 57.18 3ffg h ASP 126 Cb 1.00 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 39.56 3ffg h ASP 126 CO 0.21 0.61 -0.01 -0.25 -1.57 0.00 0.00 179.24 178.23 3ffg h TRP 127 N 0.85 0.86 -0.50 4.55 7.01 -1.98 -1.19 115.95 125.55 3ffg h TRP 127 Ca 0.22 -0.15 0.01 0.00 2.11 0.00 0.00 58.89 61.08 3ffg h TRP 127 Cb 0.00 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 26.81 3ffg h TRP 127 CO -0.01 0.84 0.31 0.00 -2.79 0.00 0.00 178.44 176.79 3ffg h ALA 128 N 0.91 0.63 -0.18 2.65 0.00 -0.65 0.29 119.26 122.91 3ffg h ALA 128 Ca 0.13 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 3ffg h ALA 128 Cb 0.50 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3ffg h ALA 128 CO 0.02 0.04 -0.46 0.93 0.00 0.00 0.00 179.25 179.78 3ffg h GLU 129 N 0.63 0.45 0.01 0.00 5.08 -1.06 -0.27 114.58 119.41 3ffg h GLU 129 Ca 0.19 -0.24 -0.24 0.00 -1.00 0.00 0.00 59.36 58.06 3ffg h GLU 129 Cb -0.03 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 3ffg h GLU 129 CO -0.06 0.82 -1.25 0.66 -1.00 0.00 0.00 179.01 178.17 3ffg h SER 130 N 0.36 0.03 0.00 1.42 4.64 -0.95 -3.38 113.55 115.68 3ffg h SER 130 Ca 0.02 -0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 61.23 3ffg h SER 130 Cb 0.95 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.01 3ffg h SER 130 CO 0.08 1.04 -1.28 0.41 -0.87 0.00 0.00 176.83 176.21 3ffg n THR 131 N -3.27 0.28 -0.06 2.95 -1.04 0.99 -4.51 114.28 109.62 3ffg n THR 131 Ca -0.06 -0.11 -0.17 0.00 -2.04 0.00 0.00 64.05 61.67 3ffg n THR 131 Cb 0.98 -0.68 -0.13 0.00 -1.82 0.00 0.00 70.33 68.68 3ffg n THR 131 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3ffg h LEU 131 N -0.00 0.09 -0.00 -4.42 3.38 -1.16 -3.34 115.31 109.85 3ffg h LEU 131 Ca -0.11 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 56.97 3ffg h LEU 131 Cb 1.17 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3ffg h LEU 131 CO -0.02 1.19 -0.00 0.23 0.09 0.00 0.00 178.44 179.93 3ffg n MET 131 N -4.47 0.80 0.00 1.13 2.81 -0.28 -2.12 117.12 115.00 3ffg n MET 131 Ca -0.16 -0.00 0.11 0.00 -1.81 0.00 0.00 57.70 55.84 3ffg n MET 131 Cb 0.59 -1.50 0.08 0.00 -0.71 0.00 0.00 33.22 31.69 3ffg n MET 131 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3ffg n THR 132 N -1.10 0.00 -1.46 2.03 -2.24 -1.26 -4.96 114.28 105.29 3ffg n THR 132 Ca 0.21 -0.48 -0.29 0.00 -2.27 0.00 0.00 64.05 61.22 3ffg n THR 132 Cb 0.16 1.45 0.12 0.00 -2.10 0.00 0.00 70.33 69.96 3ffg n THR 132 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3ffg s GLN 133 N -1.93 1.40 0.11 -0.78 -0.21 -0.90 -4.98 119.66 112.37 3ffg s GLN 133 Ca 0.26 0.49 -0.15 0.00 0.02 0.00 0.00 55.36 55.98 3ffg s GLN 133 Cb 0.19 -1.85 -0.05 0.00 1.00 0.00 0.00 33.01 32.29 3ffg s GLN 133 CO 0.31 -2.06 1.50 -0.22 -2.12 0.00 0.00 175.29 172.70 3ffg h LYS 134 N -1.41 0.67 -4.28 2.91 3.64 -1.93 -3.42 116.57 112.76 3ffg h LYS 134 Ca -0.50 -0.27 -0.14 0.00 -1.27 0.00 0.00 60.65 58.48 3ffg h LYS 134 Cb 1.30 -0.03 -0.15 0.00 -0.41 0.00 0.00 32.23 32.94 3ffg h LYS 134 CO 0.60 0.85 -0.67 0.95 -2.27 0.00 0.00 179.45 178.90 3ffg s THR 135 N -4.74 0.19 0.20 1.00 -4.23 -1.26 -1.29 115.64 105.51 3ffg s THR 135 Ca -0.13 -1.83 0.02 0.00 -1.18 0.00 0.00 61.69 58.57 3ffg s THR 135 Cb 0.09 -1.64 -0.01 0.00 1.34 0.00 0.00 72.50 72.28 3ffg s THR 135 CO 0.80 -0.88 0.07 0.61 -0.54 0.00 0.00 174.62 174.69 3ffg n GLY 136 N 0.06 3.68 3.02 3.99 0.00 -0.22 -4.71 105.19 111.01 3ffg n GLY 136 Ca -0.12 -2.01 -0.25 0.00 0.00 0.00 0.00 46.02 43.63 3ffg n GLY 136 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ffg s ILE 137 N -2.29 1.18 0.07 -0.61 1.01 0.64 -0.77 121.20 120.43 3ffg s ILE 137 Ca 0.10 -0.48 0.06 0.00 0.00 0.00 0.00 60.65 60.32 3ffg s ILE 137 Cb 0.00 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.35 3ffg s ILE 137 CO 0.07 0.37 -0.09 0.54 0.00 0.00 0.00 174.94 175.83 3ffg s VAL 138 N 0.81 3.48 0.06 2.92 0.11 -0.50 -0.87 120.40 126.40 3ffg s VAL 138 Ca -0.12 -1.08 -0.07 0.00 -2.93 0.00 0.00 61.98 57.78 3ffg s VAL 138 Cb -0.15 -2.58 -0.01 0.00 -1.53 0.00 0.00 36.38 32.11 3ffg s VAL 138 CO 0.02 0.22 0.15 -0.94 -3.33 0.00 0.00 175.10 171.22 3ffg s SER 139 N -1.91 0.14 0.00 3.54 1.04 -1.12 -0.74 113.70 114.65 3ffg s SER 139 Ca 0.20 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 56.06 3ffg s SER 139 Cb -0.11 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.29 3ffg s SER 139 CO 0.12 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.33 3ffg n GLY 140 N 0.37 0.18 1.81 7.32 0.00 -0.41 -4.31 105.19 110.16 3ffg n GLY 140 Ca -0.17 -1.11 0.08 0.00 0.00 0.00 0.00 46.02 44.82 3ffg n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ffg n PHE 141 N -0.63 1.93 -0.97 1.61 3.01 -1.26 -2.02 117.46 119.13 3ffg n PHE 141 Ca 0.00 -0.70 -0.30 0.00 1.01 0.00 0.00 57.45 57.46 3ffg n PHE 141 Cb 0.00 -0.44 0.25 0.00 -0.01 0.00 0.00 39.48 39.28 3ffg n PHE 141 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3ffg s GLY 142 N -0.83 1.56 0.54 1.37 0.00 -1.26 -0.44 107.32 108.26 3ffg s GLY 142 Ca 0.54 -0.90 -0.21 0.00 0.00 0.00 0.00 44.72 44.14 3ffg s GLY 142 CO 0.19 -0.01 1.15 0.54 0.00 0.00 0.00 173.10 174.97 3ffg n ARG 143 N -4.88 1.36 0.00 2.90 1.74 -0.45 -2.89 116.66 114.44 3ffg n ARG 143 Ca 0.13 0.50 0.10 0.00 -0.77 0.00 0.00 57.85 57.81 3ffg n ARG 143 Cb 0.59 -2.33 0.01 0.00 -1.02 0.00 0.00 32.46 29.71 3ffg n ARG 143 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3ffg n THR 144 N -1.15 0.00 -3.95 0.55 -2.24 -1.26 -0.95 114.28 105.29 3ffg n THR 144 Ca 0.11 -0.31 -0.09 0.00 -2.27 0.00 0.00 64.05 61.49 3ffg n THR 144 Cb 0.44 1.27 -0.09 0.00 -2.10 0.00 0.00 70.33 69.85 3ffg n THR 144 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3ffg s HIS 145 N -2.22 0.24 0.32 4.78 3.76 -1.26 -4.32 115.29 116.59 3ffg s HIS 145 Ca 0.18 -0.59 0.04 0.00 -0.15 0.00 0.00 55.06 54.53 3ffg s HIS 145 Cb 0.17 -0.17 0.64 0.00 1.11 0.00 0.00 32.58 34.32 3ffg s HIS 145 CO 0.48 -0.38 1.90 1.49 -0.85 0.00 0.00 174.74 177.39 3ffg h GLU 146 N 3.53 0.87 -4.94 1.40 4.81 -1.90 -3.30 114.58 115.06 3ffg h GLU 146 Ca -0.33 -0.05 -0.65 0.00 -0.13 0.00 0.00 59.36 58.20 3ffg h GLU 146 Cb 1.18 -0.20 -0.21 0.00 0.63 0.00 0.00 28.75 30.16 3ffg h GLU 146 CO 0.53 0.58 -0.59 0.21 -0.73 0.00 0.00 179.01 179.01 3ffg s LYS 147 N -5.82 3.76 0.00 1.92 2.47 -1.26 -4.96 119.74 115.85 3ffg s LYS 147 Ca -0.11 -0.42 0.00 0.00 -1.56 0.00 0.00 55.97 53.88 3ffg s LYS 147 Cb 0.21 -3.44 0.00 0.00 -1.46 0.00 0.00 37.83 33.14 3ffg s LYS 147 CO 0.79 -0.18 0.00 0.41 0.16 0.00 0.00 175.35 176.53 3ffg n GLY 149 N 4.96 -0.40 3.96 5.54 0.00 -1.24 -4.97 105.19 113.03 3ffg n GLY 149 Ca -0.15 -1.27 -0.23 0.00 0.00 0.00 0.00 46.02 44.37 3ffg n GLY 149 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ffg s ARG 150 N -2.00 2.74 0.70 1.61 1.81 -1.26 -4.89 118.95 117.65 3ffg s ARG 150 Ca 0.00 -0.57 -0.16 0.00 -1.72 0.00 0.00 55.73 53.28 3ffg s ARG 150 Cb 0.00 -2.47 0.01 0.00 -0.45 0.00 0.00 34.95 32.04 3ffg s ARG 150 CO 0.00 -0.59 1.18 1.04 -0.68 0.00 0.00 175.30 176.24 3ffg n GLN 151 N -2.31 0.73 -2.70 3.54 1.13 -1.26 -4.19 117.38 112.32 3ffg n GLN 151 Ca 0.05 0.31 -0.39 0.00 -1.94 0.00 0.00 57.00 55.03 3ffg n GLN 151 Cb 0.59 -2.42 -0.06 0.00 0.11 0.00 0.00 30.24 28.47 3ffg n GLN 151 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3ffg s SER 152 N -1.62 7.44 0.00 1.08 0.15 0.42 -4.89 113.70 116.28 3ffg s SER 152 Ca 0.78 1.98 0.26 0.00 0.70 0.00 0.00 55.95 59.67 3ffg s SER 152 Cb -0.35 -2.60 0.74 0.00 -1.71 0.00 0.00 66.02 62.10 3ffg s SER 152 CO 0.45 0.00 1.57 0.35 1.20 0.00 0.00 173.24 176.82 3ffg n THR 153 N 1.07 0.00 -4.97 6.45 -2.24 -1.26 -4.78 114.28 108.55 3ffg n THR 153 Ca -0.00 -0.02 -0.32 0.00 -2.27 0.00 0.00 64.05 61.44 3ffg n THR 153 Cb 0.48 0.08 -0.14 0.00 -2.10 0.00 0.00 70.33 68.65 3ffg n THR 153 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3ffg s ARG 154 N -2.91 2.61 0.08 -0.78 1.81 -1.26 -0.76 118.95 117.74 3ffg s ARG 154 Ca 0.14 -0.75 -0.31 0.00 -1.72 0.00 0.00 55.73 53.09 3ffg s ARG 154 Cb 0.18 -2.35 -0.07 0.00 -0.45 0.00 0.00 34.95 32.26 3ffg s ARG 154 CO 0.63 0.51 1.34 -1.17 -0.68 0.00 0.00 175.30 175.94 3ffg s LEU 155 N -0.46 4.36 0.25 2.53 2.96 -0.26 -4.66 118.68 123.40 3ffg s LEU 155 Ca 0.05 2.20 0.11 0.00 -0.22 0.00 0.00 54.13 56.28 3ffg s LEU 155 Cb -0.12 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 42.94 3ffg s LEU 155 CO 0.02 -0.62 -0.20 -0.54 -1.32 0.00 0.00 176.35 173.69 3ffg s LYS 156 N 1.34 1.59 0.08 1.98 1.02 -0.85 -0.91 119.74 123.98 3ffg s LYS 156 Ca 0.63 -1.69 0.01 0.00 0.02 0.00 0.00 55.97 54.94 3ffg s LYS 156 Cb -0.34 -1.67 -0.04 0.00 -0.52 0.00 0.00 37.83 35.26 3ffg s LYS 156 CO 0.29 0.32 -0.05 0.00 -0.92 0.00 0.00 175.35 174.98 3ffg s MET 157 N -3.37 0.75 -0.14 1.68 0.23 0.40 -1.29 119.30 117.57 3ffg s MET 157 Ca 0.27 -1.28 -0.07 0.00 -1.03 0.00 0.00 55.69 53.58 3ffg s MET 157 Cb -0.05 -0.08 0.05 0.00 -1.53 0.00 0.00 34.83 33.23 3ffg s MET 157 CO 0.13 -0.04 0.34 -1.17 -2.03 0.00 0.00 175.02 172.24 3ffg s LEU 158 N -2.96 0.14 -0.03 0.18 2.96 0.08 -1.28 118.68 117.77 3ffg s LEU 158 Ca 0.10 0.72 -0.30 0.00 -0.22 0.00 0.00 54.13 54.43 3ffg s LEU 158 Cb 0.06 1.07 -0.04 0.00 0.50 0.00 0.00 46.19 47.78 3ffg s LEU 158 CO -0.06 -0.18 1.17 -0.70 -1.32 0.00 0.00 176.35 175.26 3ffg s GLU 159 N 1.34 4.39 -0.08 1.98 2.12 -1.26 -1.41 118.70 125.78 3ffg s GLU 159 Ca -0.09 1.66 0.02 0.00 0.36 0.00 0.00 54.97 56.91 3ffg s GLU 159 Cb -0.09 -3.51 0.02 0.00 0.26 0.00 0.00 34.13 30.81 3ffg s GLU 159 CO -0.11 -0.37 -0.12 0.14 -0.54 0.00 0.00 175.26 174.27 3ffg s VAL 160 N 1.88 1.13 0.35 3.70 -7.23 0.05 -4.98 120.40 115.30 3ffg s VAL 160 Ca 0.56 -0.45 -0.29 0.00 -1.81 0.00 0.00 61.98 59.99 3ffg s VAL 160 Cb -0.25 -1.06 -0.11 0.00 0.56 0.00 0.00 36.38 35.53 3ffg s VAL 160 CO 0.24 0.36 1.41 -2.84 -0.31 0.00 0.00 175.10 173.96 3ffg s PRO 161 N 0.87 4.22 0.39 4.82 0.02 -1.26 -1.06 135.00 143.01 3ffg s PRO 161 Ca -0.11 2.41 -0.27 0.00 0.02 0.00 0.00 61.00 63.05 3ffg s PRO 161 Cb -0.15 -3.02 -0.10 0.00 0.02 0.00 0.00 34.50 31.25 3ffg s PRO 161 CO 0.01 -0.39 1.41 0.71 -0.33 0.00 0.00 177.00 178.41 3ffg s TYR 162 N -1.02 2.67 -0.10 6.54 2.02 -0.41 -1.18 117.35 125.88 3ffg s TYR 162 Ca 0.52 1.28 -0.00 0.00 -0.37 0.00 0.00 57.07 58.49 3ffg s TYR 162 Cb -0.43 -3.88 -0.03 0.00 -0.40 0.00 0.00 41.96 37.22 3ffg s TYR 162 CO 0.57 -2.63 -0.08 0.08 -1.57 0.00 0.00 175.55 171.92 3ffg s VAL 163 N -1.17 3.60 0.22 0.71 1.01 -0.87 -4.88 120.40 119.02 3ffg s VAL 163 Ca 0.55 -0.50 -0.31 0.00 0.00 0.00 0.00 61.98 61.73 3ffg s VAL 163 Cb -0.43 -2.50 -0.15 0.00 0.00 0.00 0.00 36.38 33.30 3ffg s VAL 163 CO 0.57 0.56 1.08 -0.67 0.00 0.00 0.00 175.10 176.64 3ffg n ASP 164 N 2.74 1.22 -0.18 3.32 2.03 -1.26 -4.64 116.55 119.79 3ffg n ASP 164 Ca -0.18 1.16 -0.01 0.00 0.52 0.00 0.00 54.79 56.28 3ffg n ASP 164 Cb 0.53 -1.23 0.22 0.00 -0.72 0.00 0.00 41.12 39.91 3ffg n ASP 164 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3ffg h ARG 165 N 2.73 0.91 0.01 -0.67 2.43 -1.98 0.18 114.38 118.00 3ffg h ARG 165 Ca -0.41 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 58.65 3ffg h ARG 165 Cb 1.35 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3ffg h ARG 165 CO 0.66 0.70 -0.01 -0.97 -1.51 0.00 0.00 179.97 178.84 3ffg h ASN 166 N 0.92 -0.01 -0.12 -3.80 -0.73 -2.00 -1.63 115.58 108.20 3ffg h ASN 166 Ca 0.23 -0.20 -0.02 0.00 1.87 0.00 0.00 56.30 58.17 3ffg h ASN 166 Cb 0.07 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.66 3ffg h ASN 166 CO -0.03 0.19 0.02 0.28 -0.37 0.00 0.00 177.43 177.52 3ffg h SER 167 N -0.22 0.26 0.33 1.15 0.02 -1.83 -1.89 113.55 111.37 3ffg h SER 167 Ca -0.00 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 3ffg h SER 167 Cb 0.21 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.69 3ffg h SER 167 CO 0.00 0.30 -0.16 0.00 -1.14 0.00 0.00 176.83 175.83 3ffg h LYS 169 N -0.45 0.98 0.00 0.00 1.57 -0.83 -2.68 116.57 115.17 3ffg h LYS 169 Ca -0.04 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.47 3ffg h LYS 169 Cb 0.35 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 3ffg h LYS 169 CO 0.07 0.89 -0.16 -0.07 -0.57 0.00 0.00 179.45 179.60 3ffg h LEU 170 N 0.93 0.00 0.00 2.94 3.38 -1.31 -2.83 115.31 118.42 3ffg h LEU 170 Ca 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 3ffg h LEU 170 Cb 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 3ffg h LEU 170 CO 0.00 0.16 -0.33 0.77 0.09 0.00 0.00 178.44 179.14 3ffg h SER 171 N 0.00 0.00 -3.00 -0.43 4.64 -1.09 -3.46 113.55 110.21 3ffg h SER 171 Ca -0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 3ffg h SER 171 Cb 0.66 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.69 3ffg h SER 171 CO 0.02 0.01 -0.27 -0.55 -0.87 0.00 0.00 176.83 175.17 3ffg s SER 172 N -5.94 6.67 0.00 4.97 0.15 -1.07 -4.82 113.70 113.66 3ffg s SER 172 Ca 0.05 0.80 0.29 0.00 0.70 0.00 0.00 55.95 57.78 3ffg s SER 172 Cb 0.06 -2.21 1.17 0.00 -1.71 0.00 0.00 66.02 63.33 3ffg s SER 172 CO 0.71 0.29 1.86 -1.20 1.20 0.00 0.00 173.24 176.10 3ffg n SER 173 N 2.22 0.13 -4.43 5.45 7.64 -1.26 -4.86 113.62 118.51 3ffg n SER 173 Ca -0.14 0.16 -0.22 0.00 1.01 0.00 0.00 58.87 59.68 3ffg n SER 173 Cb 0.53 -0.30 -0.10 0.00 -1.01 0.00 0.00 64.21 63.33 3ffg n SER 173 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3ffg s PHE 174 N -2.87 2.07 -0.01 1.43 0.08 -1.26 -5.10 117.98 112.32 3ffg s PHE 174 Ca 0.17 -0.44 -0.30 0.00 0.12 0.00 0.00 56.93 56.48 3ffg s PHE 174 Cb 0.19 -0.95 -0.05 0.00 -0.57 0.00 0.00 43.02 41.64 3ffg s PHE 174 CO 0.54 0.56 1.45 0.42 -0.10 0.00 0.00 175.22 178.09 3ffg s ILE 175 N -2.70 3.67 -0.40 0.64 1.01 -1.26 -4.98 121.20 117.18 3ffg s ILE 175 Ca 0.27 1.02 -0.20 0.00 0.00 0.00 0.00 60.65 61.75 3ffg s ILE 175 Cb -0.03 -3.66 0.01 0.00 0.01 0.00 0.00 42.46 38.80 3ffg s ILE 175 CO 0.12 -0.02 0.59 -0.63 0.00 0.00 0.00 174.94 175.00 3ffg s ILE 176 N 2.72 4.90 0.78 2.92 -1.09 -1.26 -5.05 121.20 125.13 3ffg s ILE 176 Ca 0.65 0.22 -0.08 0.00 -2.23 0.00 0.00 60.65 59.21 3ffg s ILE 176 Cb -0.32 -4.11 0.11 0.00 -1.58 0.00 0.00 42.46 36.56 3ffg s ILE 176 CO 0.26 -0.44 1.10 0.42 -1.23 0.00 0.00 174.94 175.05 3ffg s THR 177 N 2.64 2.17 -1.04 2.92 -4.23 -1.26 -4.94 115.64 111.89 3ffg s THR 177 Ca 0.21 -0.24 0.14 0.00 -1.18 0.00 0.00 61.69 60.62 3ffg s THR 177 Cb -0.15 -2.92 0.13 0.00 1.34 0.00 0.00 72.50 70.90 3ffg s THR 177 CO 0.16 0.00 1.44 0.00 -0.54 0.00 0.00 174.62 175.68 3ffg n GLN 178 N -3.13 0.02 -0.09 3.99 6.02 -1.26 -1.69 117.38 121.24 3ffg n GLN 178 Ca 0.11 0.25 0.10 0.00 -0.01 0.00 0.00 57.00 57.45 3ffg n GLN 178 Cb 0.60 -1.50 0.36 0.00 1.02 0.00 0.00 30.24 30.72 3ffg n GLN 178 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3ffg n ASN 179 N -1.48 1.71 -4.31 1.08 3.02 -1.26 -4.90 115.26 109.12 3ffg n ASN 179 Ca 0.04 -1.73 -0.23 0.00 -0.03 0.00 0.00 54.58 52.63 3ffg n ASN 179 Cb 0.16 -0.12 -0.12 0.00 -0.61 0.00 0.00 39.78 39.09 3ffg n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3ffg s MET 180 N -1.77 1.20 0.12 3.52 -1.94 -0.68 -0.35 119.30 119.40 3ffg s MET 180 Ca 0.32 -1.30 -0.03 0.00 -1.71 0.00 0.00 55.69 52.97 3ffg s MET 180 Cb 0.17 -1.34 -0.03 0.00 2.01 0.00 0.00 34.83 35.64 3ffg s MET 180 CO 0.26 0.29 0.10 -0.59 -0.01 0.00 0.00 175.02 175.06 3ffg s PHE 181 N -1.68 0.65 -0.08 -0.03 -0.12 -0.24 -4.79 117.98 111.70 3ffg s PHE 181 Ca 0.11 -1.06 -0.02 0.00 -0.05 0.00 0.00 56.93 55.91 3ffg s PHE 181 Cb -0.07 -0.35 -0.04 0.00 -0.63 0.00 0.00 43.02 41.93 3ffg s PHE 181 CO 0.05 -0.54 0.04 0.00 -0.05 0.00 0.00 175.22 174.73 3ffg s ALA 183 N -0.97 -0.23 0.00 0.00 0.00 -0.85 -2.05 121.76 117.66 3ffg s ALA 183 Ca 0.15 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.82 3ffg s ALA 183 Cb -0.12 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.17 3ffg s ALA 183 CO 0.05 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.97 3ffg n GLY 184 N 1.19 0.83 3.47 0.00 0.00 -0.32 -1.60 105.19 108.77 3ffg n GLY 184 Ca -0.21 -1.83 -0.28 0.00 0.00 0.00 0.00 46.02 43.69 3ffg n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ffg s TYR 185 N -2.65 2.46 0.01 1.61 2.02 -1.26 -4.08 117.35 115.46 3ffg s TYR 185 Ca 0.00 -0.30 -0.10 0.00 -0.37 0.00 0.00 57.07 56.30 3ffg s TYR 185 Cb 0.00 -1.27 -0.32 0.00 -0.40 0.00 0.00 41.96 39.97 3ffg s TYR 185 CO 0.00 0.43 0.90 0.22 -1.57 0.00 0.00 175.55 175.53 3ffg h ASP 185 N 3.48 0.64 0.00 2.29 3.58 -1.92 -3.41 116.42 121.08 3ffg h ASP 185 Ca -0.49 -0.79 -0.02 0.00 0.42 0.00 0.00 57.03 56.16 3ffg h ASP 185 Cb 1.18 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 42.02 3ffg h ASP 185 CO 0.47 1.64 -1.07 0.35 -2.88 0.00 0.00 179.24 177.74 3ffg n THR 185 N -3.61 0.08 -2.19 2.25 -2.24 -1.26 -0.74 114.28 106.58 3ffg n THR 185 Ca -0.18 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.15 3ffg n THR 185 Cb 1.08 -0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 68.68 3ffg n THR 185 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3ffg s LYS 186 N -2.03 4.29 -1.21 -0.78 2.20 -1.26 -4.82 119.74 116.13 3ffg s LYS 186 Ca -0.02 2.02 -0.09 0.00 -0.36 0.00 0.00 55.97 57.52 3ffg s LYS 186 Cb 0.00 -3.49 0.21 0.00 -1.51 0.00 0.00 37.83 33.04 3ffg s LYS 186 CO 0.03 -0.55 1.65 1.04 -0.36 0.00 0.00 175.35 177.17 3ffg n GLN 187 N 5.01 3.74 -3.90 4.03 6.02 -1.26 -4.59 117.38 126.43 3ffg n GLN 187 Ca 0.13 -3.87 -0.14 0.00 -0.01 0.00 0.00 57.00 53.11 3ffg n GLN 187 Cb 0.43 -2.84 -0.15 0.00 1.02 0.00 0.00 30.24 28.71 3ffg n GLN 187 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3ffg s GLU 188 N -0.15 0.10 0.02 -1.09 2.02 -1.26 -4.67 118.70 113.67 3ffg s GLU 188 Ca 0.38 0.03 -0.28 0.00 0.02 0.00 0.00 54.97 55.12 3ffg s GLU 188 Cb 0.05 -0.19 0.09 0.00 0.10 0.00 0.00 34.13 34.18 3ffg s GLU 188 CO 0.02 -0.05 1.24 0.34 0.02 0.00 0.00 175.26 176.83 3ffg s ASP 189 N 0.40 -0.00 0.95 -0.19 3.68 -0.79 -4.51 116.67 116.21 3ffg s ASP 189 Ca -0.04 -0.28 -0.13 0.00 2.13 0.00 0.00 52.55 54.23 3ffg s ASP 189 Cb -0.06 0.21 0.16 0.00 -1.45 0.00 0.00 42.92 41.79 3ffg s ASP 189 CO -0.01 -0.42 1.14 0.00 0.13 0.00 0.00 175.17 176.01 3ffg s ALA 190 N -2.11 1.61 0.35 3.66 0.00 -1.26 -0.24 121.76 123.77 3ffg s ALA 190 Ca 0.26 -0.60 -0.09 0.00 0.00 0.00 0.00 51.96 51.53 3ffg s ALA 190 Cb -0.00 -3.01 0.02 0.00 0.00 0.00 0.00 23.12 20.13 3ffg s ALA 190 CO 0.00 -2.48 0.61 0.00 0.00 0.00 0.00 175.76 173.89 3ffg n GLN 192 N -0.53 1.44 0.00 0.00 7.27 -1.26 -1.01 117.38 123.29 3ffg n GLN 192 Ca -0.03 0.51 0.00 0.00 0.07 0.00 0.00 57.00 57.55 3ffg n GLN 192 Cb 0.61 -2.08 0.00 0.00 2.41 0.00 0.00 30.24 31.18 3ffg n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3ffg n GLY 193 N 2.17 3.27 0.17 1.69 0.00 -1.26 -1.35 105.19 109.88 3ffg n GLY 193 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 3ffg n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ffg h ASP 194 N 0.00 0.00 -1.68 1.61 3.32 -1.39 -3.29 116.42 114.99 3ffg h ASP 194 Ca 0.00 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.40 3ffg h ASP 194 Cb 0.00 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.65 3ffg h ASP 194 CO 0.00 0.00 -0.11 -1.20 -1.72 0.00 0.00 179.24 176.21 3ffg n SER 195 N -2.67 0.21 0.00 6.45 7.64 -1.26 -1.51 113.62 122.48 3ffg n SER 195 Ca 0.04 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.08 3ffg n SER 195 Cb 0.46 -1.11 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 3ffg n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ffg n GLY 196 N 1.70 2.89 3.94 0.23 0.00 0.58 -0.40 105.19 114.14 3ffg n GLY 196 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 3ffg n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ffg s GLY 197 N -1.88 1.80 0.13 -0.02 0.00 -0.57 -3.41 107.32 103.37 3ffg s GLY 197 Ca 0.00 -1.29 -0.30 0.00 0.00 0.00 0.00 44.72 43.13 3ffg s GLY 197 CO 0.00 -0.51 1.13 2.56 0.00 0.00 0.00 173.10 176.28 3ffg s PRO 198 N -5.87 4.53 -0.25 2.90 0.04 -1.26 -1.99 135.00 133.10 3ffg s PRO 198 Ca 0.75 1.72 -0.05 0.00 0.04 0.00 0.00 61.00 63.45 3ffg s PRO 198 Cb -0.03 -3.31 -0.01 0.00 0.04 0.00 0.00 34.50 31.19 3ffg s PRO 198 CO 0.53 -0.05 0.01 -1.58 0.04 0.00 0.00 177.00 175.95 3ffg s HIS 199 N 0.28 3.04 0.18 0.56 2.46 -0.46 -2.78 115.29 118.57 3ffg s HIS 199 Ca 0.53 -0.85 0.11 0.00 0.47 0.00 0.00 55.06 55.31 3ffg s HIS 199 Cb -0.29 -2.17 -0.04 0.00 -0.13 0.00 0.00 32.58 29.95 3ffg s HIS 199 CO 0.33 -0.52 -0.23 0.14 -2.47 0.00 0.00 174.74 171.99 3ffg s VAL 200 N 1.51 2.24 -0.09 0.89 -7.23 -0.05 -0.52 120.40 117.15 3ffg s VAL 200 Ca 0.05 -1.97 0.03 0.00 -1.81 0.00 0.00 61.98 58.28 3ffg s VAL 200 Cb -0.15 -2.05 0.01 0.00 0.56 0.00 0.00 36.38 34.75 3ffg s VAL 200 CO -0.00 -0.12 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.60 3ffg s THR 201 N -1.64 1.55 0.04 5.32 2.01 0.04 -0.26 115.64 122.70 3ffg s THR 201 Ca 0.19 -0.71 -0.27 0.00 0.31 0.00 0.00 61.69 61.21 3ffg s THR 201 Cb -0.08 -1.38 -0.05 0.00 0.01 0.00 0.00 72.50 71.00 3ffg s THR 201 CO 0.09 0.45 0.83 -0.60 -0.69 0.00 0.00 174.62 174.70 3ffg s ARG 202 N 0.61 4.54 -0.07 4.92 3.52 -1.26 -1.58 118.95 129.63 3ffg s ARG 202 Ca -0.15 1.18 -0.02 0.00 -0.13 0.00 0.00 55.73 56.61 3ffg s ARG 202 Cb -0.16 -3.39 0.03 0.00 -1.56 0.00 0.00 34.95 29.87 3ffg s ARG 202 CO 0.05 0.19 0.04 0.12 -0.81 0.00 0.00 175.30 174.89 3ffg s PHE 203 N 0.21 0.39 -1.39 5.12 5.36 0.01 -4.90 117.98 122.78 3ffg s PHE 203 Ca 0.42 -0.03 -0.04 0.00 -0.96 0.00 0.00 56.93 56.33 3ffg s PHE 203 Cb -0.21 -0.67 0.00 0.00 -0.34 0.00 0.00 43.02 41.81 3ffg s PHE 203 CO 0.25 -0.30 0.40 1.63 -1.46 0.00 0.00 175.22 175.74 3ffg n LYS 204 N 5.22 -2.61 -1.39 10.12 5.02 -1.26 -1.32 118.16 131.93 3ffg n LYS 204 Ca -0.05 0.35 -0.14 0.00 -2.02 0.00 0.00 58.31 56.45 3ffg n LYS 204 Cb 0.50 -4.26 -0.06 0.00 -0.02 0.00 0.00 35.03 31.19 3ffg n LYS 204 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3ffg n ASP 205 N -2.91 -5.14 -4.21 4.39 10.43 -1.26 -4.99 116.55 112.86 3ffg n ASP 205 Ca -0.29 0.34 -0.30 0.00 2.57 0.00 0.00 54.79 57.11 3ffg n ASP 205 Cb 0.67 -3.84 -0.17 0.00 1.84 0.00 0.00 41.12 39.63 3ffg n ASP 205 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3ffg s THR 206 N -2.34 1.90 -0.23 -3.53 2.01 -0.43 -5.12 115.64 107.90 3ffg s THR 206 Ca 0.00 -0.95 -0.09 0.00 0.31 0.00 0.00 61.69 60.96 3ffg s THR 206 Cb 0.00 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 3ffg s THR 206 CO 0.00 0.53 0.10 -0.31 -0.69 0.00 0.00 174.62 174.25 3ffg s TYR 207 N 0.15 3.20 -0.09 4.92 1.51 -1.26 -0.81 117.35 124.97 3ffg s TYR 207 Ca -0.11 -0.06 -0.00 0.00 -1.01 0.00 0.00 57.07 55.88 3ffg s TYR 207 Cb -0.15 -2.22 -0.03 0.00 -0.11 0.00 0.00 41.96 39.44 3ffg s TYR 207 CO 0.06 -0.10 -0.06 -0.06 -1.11 0.00 0.00 175.55 174.28 3ffg s PHE 208 N 1.18 2.96 -0.10 2.71 0.40 -0.61 -2.27 117.98 122.25 3ffg s PHE 208 Ca 0.06 -0.05 -0.30 0.00 -0.60 0.00 0.00 56.93 56.04 3ffg s PHE 208 Cb -0.14 -1.77 -0.03 0.00 0.51 0.00 0.00 43.02 41.60 3ffg s PHE 208 CO 0.04 0.26 1.24 0.54 0.70 0.00 0.00 175.22 178.00 3ffg s VAL 209 N -0.56 4.23 -0.01 -0.44 0.11 0.04 -0.78 120.40 123.00 3ffg s VAL 209 Ca 0.09 1.54 0.03 0.00 -2.93 0.00 0.00 61.98 60.70 3ffg s VAL 209 Cb -0.12 -3.99 -0.04 0.00 -1.53 0.00 0.00 36.38 30.70 3ffg s VAL 209 CO 0.02 -0.06 0.05 0.35 -3.33 0.00 0.00 175.10 172.14 3ffg n THR 210 N 4.93 0.01 -3.88 5.04 -2.24 0.32 -4.57 114.28 113.91 3ffg n THR 210 Ca 0.12 -0.06 -0.09 0.00 -2.27 0.00 0.00 64.05 61.75 3ffg n THR 210 Cb 0.45 0.32 -0.07 0.00 -2.10 0.00 0.00 70.33 68.94 3ffg n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3ffg s GLY 211 N -2.38 0.23 -0.13 3.38 0.00 -0.53 -2.22 107.32 105.67 3ffg s GLY 211 Ca -0.01 -0.66 0.03 0.00 0.00 0.00 0.00 44.72 44.08 3ffg s GLY 211 CO 0.11 -0.73 -0.22 -0.42 0.00 0.00 0.00 173.10 171.85 3ffg s ILE 212 N -3.91 1.99 0.06 0.90 1.01 -0.87 -1.36 121.20 119.03 3ffg s ILE 212 Ca 0.11 -0.95 -0.32 0.00 0.00 0.00 0.00 60.65 59.50 3ffg s ILE 212 Cb 0.03 -1.75 -0.11 0.00 0.01 0.00 0.00 42.46 40.64 3ffg s ILE 212 CO -0.05 0.54 1.84 0.52 0.00 0.00 0.00 174.94 177.79 3ffg n VAL 213 N 3.98 0.44 0.02 2.92 0.31 -0.84 -0.98 118.33 124.18 3ffg n VAL 213 Ca -0.20 -0.08 -0.02 0.00 -0.01 0.00 0.00 64.34 64.03 3ffg n VAL 213 Cb 0.52 -2.03 -0.01 0.00 -0.91 0.00 0.00 33.84 31.41 3ffg n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3ffg n SER 214 N 5.94 1.19 -3.66 4.52 2.88 -0.47 -0.31 113.62 123.70 3ffg n SER 214 Ca 0.19 0.17 -0.06 0.00 -1.33 0.00 0.00 58.87 57.84 3ffg n SER 214 Cb 0.35 -0.40 -0.01 0.00 -0.75 0.00 0.00 64.21 63.40 3ffg n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 3ffg s TRP 215 N -2.10 -0.11 -0.08 0.66 1.48 -0.85 -4.89 118.94 113.05 3ffg s TRP 215 Ca -0.06 -0.34 -0.30 0.00 -1.06 0.00 0.00 56.10 54.34 3ffg s TRP 215 Cb 0.01 0.71 0.11 0.00 -1.16 0.00 0.00 33.47 33.14 3ffg s TRP 215 CO 0.09 -1.18 0.93 0.20 -4.06 0.00 0.00 176.95 172.93 3ffg s GLY 216 N -2.97 -0.38 -0.72 3.67 0.00 -1.26 -0.61 107.32 105.04 3ffg s GLY 216 Ca 0.13 1.50 -0.24 0.00 0.00 0.00 0.00 44.72 46.11 3ffg s GLY 216 CO 0.06 0.70 1.10 -0.54 0.00 0.00 0.00 173.10 174.42 3ffg s GLU 217 N -2.07 3.19 2.79 2.90 2.02 -1.26 -4.84 118.70 121.43 3ffg s GLU 217 Ca 0.01 -0.72 0.00 0.00 0.02 0.00 0.00 54.97 54.28 3ffg s GLU 217 Cb -0.01 -4.32 0.00 0.00 0.10 0.00 0.00 34.13 29.91 3ffg s GLU 217 CO -0.03 -1.94 0.00 0.41 0.02 0.00 0.00 175.26 173.72 3ffg n GLY 218 N 5.44 0.20 2.82 -1.39 0.00 -1.26 -4.69 105.19 106.31 3ffg n GLY 218 Ca 0.02 -0.96 -0.17 0.00 0.00 0.00 0.00 46.02 44.91 3ffg n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ffg n ALA 221 N 4.14 -0.42 -1.77 0.00 0.00 -1.26 -4.74 120.51 116.45 3ffg n ALA 221 Ca -0.26 0.27 -0.40 0.00 0.00 0.00 0.00 53.44 53.05 3ffg n ALA 221 Cb 0.50 -2.09 -0.03 0.00 0.00 0.00 0.00 19.45 17.83 3ffg n ALA 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3ffg s ARG 222 N -4.21 4.52 0.26 0.00 0.52 -1.26 -4.52 118.95 114.27 3ffg s ARG 222 Ca 0.00 1.97 -0.30 0.00 -0.52 0.00 0.00 55.73 56.88 3ffg s ARG 222 Cb 0.00 -3.14 -0.10 0.00 0.52 0.00 0.00 34.95 32.22 3ffg s ARG 222 CO 0.00 0.05 1.42 0.15 0.02 0.00 0.00 175.30 176.93 3ffg s LYS 223 N -1.53 4.28 0.00 3.54 1.02 -1.26 -2.04 119.74 123.75 3ffg s LYS 223 Ca 0.46 2.29 0.00 0.00 0.02 0.00 0.00 55.97 58.75 3ffg s LYS 223 Cb -0.35 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 33.86 3ffg s LYS 223 CO 0.46 -0.38 0.00 0.41 -0.92 0.00 0.00 175.35 174.91 3ffg n GLY 223 N 1.93 0.72 3.40 -3.33 0.00 0.08 -5.02 105.19 102.97 3ffg n GLY 223 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 3ffg n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ffg s LYS 224 N -0.03 1.47 0.12 1.61 -0.14 -0.86 -4.77 119.74 117.13 3ffg s LYS 224 Ca 0.00 -1.72 -0.00 0.00 -1.36 0.00 0.00 55.97 52.88 3ffg s LYS 224 Cb 0.00 -1.09 -0.04 0.00 -1.68 0.00 0.00 37.83 35.02 3ffg s LYS 224 CO 0.00 0.06 0.01 0.71 -0.76 0.00 0.00 175.35 175.37 3ffg s TYR 225 N -3.05 0.86 0.29 3.18 2.02 -1.26 -4.60 117.35 114.79 3ffg s TYR 225 Ca 0.28 -1.13 -0.29 0.00 -0.37 0.00 0.00 57.07 55.56 3ffg s TYR 225 Cb 0.03 -0.51 -0.10 0.00 -0.40 0.00 0.00 41.96 40.98 3ffg s TYR 225 CO 0.10 -0.39 1.14 0.20 -1.57 0.00 0.00 175.55 175.03 3ffg s GLY 226 N -3.04 3.05 -0.16 0.71 0.00 -0.63 -4.54 107.32 102.71 3ffg s GLY 226 Ca 0.19 0.97 -0.04 0.00 0.00 0.00 0.00 44.72 45.84 3ffg s GLY 226 CO -0.01 1.58 -0.03 -0.42 0.00 0.00 0.00 173.10 174.22 3ffg s ILE 227 N -1.16 3.99 0.05 0.90 -1.09 0.22 -2.01 121.20 122.10 3ffg s ILE 227 Ca 0.45 -0.32 0.09 0.00 -2.23 0.00 0.00 60.65 58.64 3ffg s ILE 227 Cb -0.33 -2.76 -0.03 0.00 -1.58 0.00 0.00 42.46 37.76 3ffg s ILE 227 CO 0.43 0.49 -0.25 -0.31 -1.23 0.00 0.00 174.94 174.07 3ffg s TYR 228 N 0.39 2.21 0.12 3.97 1.51 -0.02 -1.37 117.35 124.16 3ffg s TYR 228 Ca -0.03 -0.40 -0.31 0.00 -1.01 0.00 0.00 57.07 55.32 3ffg s TYR 228 Cb -0.14 -1.32 -0.08 0.00 -0.11 0.00 0.00 41.96 40.32 3ffg s TYR 228 CO 0.03 0.13 1.34 0.99 -1.11 0.00 0.00 175.55 176.93 3ffg s THR 229 N -0.82 3.40 -0.49 -0.71 2.01 -0.15 -1.07 115.64 117.81 3ffg s THR 229 Ca 0.11 1.04 -0.28 0.00 0.31 0.00 0.00 61.69 62.87 3ffg s THR 229 Cb -0.10 -3.66 0.03 0.00 0.01 0.00 0.00 72.50 68.78 3ffg s THR 229 CO 0.02 0.10 1.09 -0.75 -0.69 0.00 0.00 174.62 174.39 3ffg s LYS 230 N 0.85 3.63 0.36 4.92 2.20 0.52 -2.04 119.74 130.19 3ffg s LYS 230 Ca 0.62 0.39 0.03 0.00 -0.36 0.00 0.00 55.97 56.66 3ffg s LYS 230 Cb -0.36 -3.94 0.68 0.00 -1.51 0.00 0.00 37.83 32.71 3ffg s LYS 230 CO 0.32 -1.40 2.01 0.28 -0.36 0.00 0.00 175.35 176.19 3ffg h VAL 231 N 6.19 1.15 0.00 4.02 2.07 -1.78 -1.70 116.25 126.20 3ffg h VAL 231 Ca -0.24 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 3ffg h VAL 231 Cb 1.06 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3ffg h VAL 231 CO 1.12 0.15 -0.03 0.71 0.02 0.00 0.00 177.57 179.54 3ffg h THR 232 N 0.75 0.38 0.00 2.57 1.35 -1.91 -0.41 112.91 115.65 3ffg h THR 232 Ca 0.20 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.90 3ffg h THR 232 Cb -0.05 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.48 3ffg h THR 232 CO -0.04 0.03 0.00 0.00 -0.25 0.00 0.00 175.52 175.26 3ffg n ALA 233 N -2.24 2.04 -1.01 6.62 0.00 -0.64 -3.80 120.51 121.48 3ffg n ALA 233 Ca -0.03 -0.08 0.01 0.00 0.00 0.00 0.00 53.44 53.35 3ffg n ALA 233 Cb 0.13 -1.36 0.02 0.00 0.00 0.00 0.00 19.45 18.24 3ffg n ALA 233 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3ffg n PHE 234 N -1.44 0.00 -0.30 0.00 3.72 -0.18 -4.85 117.46 114.41 3ffg n PHE 234 Ca 0.07 -0.27 -0.01 0.00 -0.05 0.00 0.00 57.45 57.20 3ffg n PHE 234 Cb 0.24 -0.05 0.18 0.00 -0.94 0.00 0.00 39.48 38.91 3ffg n PHE 234 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3ffg h LEU 235 N 0.00 1.01 -0.38 4.37 3.38 -1.61 0.37 115.31 122.44 3ffg h LEU 235 Ca 0.00 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 3ffg h LEU 235 Cb 0.98 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3ffg h LEU 235 CO 0.00 0.73 -0.27 0.11 0.09 0.00 0.00 178.44 179.10 3ffg h LYS 236 N 1.19 0.86 -0.75 1.13 1.57 -1.89 -0.71 116.57 117.98 3ffg h LYS 236 Ca 0.33 -0.42 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 3ffg h LYS 236 Cb -0.13 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 3ffg h LYS 236 CO -0.07 1.06 0.29 2.35 -0.57 0.00 0.00 179.45 182.51 3ffg h TRP 237 N 0.67 1.14 -0.38 -1.35 7.01 -1.72 -1.27 115.95 120.06 3ffg h TRP 237 Ca 0.08 -0.09 -0.04 0.00 2.11 0.00 0.00 58.89 60.95 3ffg h TRP 237 Cb 0.85 -0.34 -0.02 0.00 -2.10 0.00 0.00 29.16 27.55 3ffg h TRP 237 CO 0.06 0.87 0.09 0.82 -2.79 0.00 0.00 178.44 177.49 3ffg h ILE 238 N 1.08 1.23 -0.72 2.65 2.04 -0.19 -1.49 117.51 122.11 3ffg h ILE 238 Ca 0.25 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.32 3ffg h ILE 238 Cb 0.22 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 3ffg h ILE 238 CO -0.02 0.27 0.46 -0.78 0.00 0.00 0.00 178.15 178.08 3ffg h ASP 239 N 0.47 0.84 -0.55 1.72 1.82 -0.93 -1.16 116.42 118.62 3ffg h ASP 239 Ca 0.12 -0.03 -0.08 0.00 -0.39 0.00 0.00 57.03 56.64 3ffg h ASP 239 Cb 0.32 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 40.10 3ffg h ASP 239 CO 0.00 0.62 0.03 0.03 -1.61 0.00 0.00 179.24 178.32 3ffg h ARG 240 N 0.98 0.98 0.00 0.28 3.08 -1.12 -2.80 114.38 115.79 3ffg h ARG 240 Ca 0.26 -0.28 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 3ffg h ARG 240 Cb -0.09 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 3ffg h ARG 240 CO -0.05 0.95 -0.39 0.77 -1.07 0.00 0.00 179.97 180.18 3ffg h SER 241 N 0.91 0.00 -0.13 7.04 0.02 -0.80 -2.42 113.55 118.17 3ffg h SER 241 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3ffg h SER 241 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 3ffg h SER 241 CO 0.02 0.39 0.00 0.23 -1.14 0.00 0.00 176.83 176.33 3ffg n MET 242 N -3.81 1.35 0.00 3.45 2.81 -0.48 -3.10 117.12 117.34 3ffg n MET 242 Ca -0.01 -0.54 0.00 0.00 -1.81 0.00 0.00 57.70 55.34 3ffg n MET 242 Cb 0.46 -1.20 0.00 0.00 -0.71 0.00 0.00 33.22 31.76 3ffg n MET 242 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3ffg n LYS 243 N -0.13 1.07 0.00 0.03 5.02 -1.04 -5.07 118.16 118.04 3ffg n LYS 243 Ca 0.09 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.50 3ffg n LYS 243 Cb 0.15 -0.97 0.17 0.00 -0.02 0.00 0.00 35.03 34.36 3ffg n LYS 243 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13