#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nfx s VAL 17 N 0.00 5.31 0.00 1.39 1.01 0.11 -4.10 120.40 124.12 1nfx s VAL 17 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.46 1nfx s VAL 17 Cb 0.00 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1nfx s VAL 17 CO 0.00 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.08 1nfx n GLY 18 N 3.58 0.69 7.00 4.51 0.00 -1.26 -2.39 105.19 117.32 1nfx n GLY 18 Ca -0.12 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1nfx n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nfx n GLY 19 N 0.00 -0.63 3.30 -0.02 0.00 -1.26 -4.94 105.19 101.64 1nfx n GLY 19 Ca 0.00 -1.02 -0.16 0.00 0.00 0.00 0.00 46.02 44.84 1nfx n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nfx s GLN 20 N 0.00 1.31 0.32 1.61 -1.52 0.04 -4.97 119.66 116.44 1nfx s GLN 20 Ca 0.00 -1.68 -0.28 0.00 -1.95 0.00 0.00 55.36 51.45 1nfx s GLN 20 Cb 0.00 -0.34 -0.10 0.00 -0.22 0.00 0.00 33.01 32.36 1nfx s GLN 20 CO 0.00 -0.21 1.19 -1.21 -0.25 0.00 0.00 175.29 174.81 1nfx s GLU 21 N -3.96 4.42 -0.10 2.91 2.02 -1.26 -0.09 118.70 122.63 1nfx s GLU 21 Ca 0.32 1.95 -0.30 0.00 0.02 0.00 0.00 54.97 56.97 1nfx s GLU 21 Cb 0.07 -3.04 -0.03 0.00 0.10 0.00 0.00 34.13 31.23 1nfx s GLU 21 CO 0.10 -0.04 1.27 0.00 0.02 0.00 0.00 175.26 176.61 1nfx s LYS 23 N 2.91 1.98 -0.27 0.00 -0.14 -1.26 -4.90 119.74 118.05 1nfx s LYS 23 Ca 0.57 0.15 -0.39 0.00 -1.36 0.00 0.00 55.97 54.93 1nfx s LYS 23 Cb -0.24 -1.95 -0.15 0.00 -1.68 0.00 0.00 37.83 33.81 1nfx s LYS 23 CO 0.19 -1.59 1.80 -3.47 -0.76 0.00 0.00 175.35 171.52 1nfx n ASP 24 N -3.32 2.50 0.00 2.83 2.03 -1.26 -1.29 116.55 118.04 1nfx n ASP 24 Ca 0.08 1.02 0.00 0.00 0.52 0.00 0.00 54.79 56.41 1nfx n ASP 24 Cb 0.61 -1.17 0.00 0.00 -0.72 0.00 0.00 41.12 39.83 1nfx n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nfx n GLY 25 N 4.41 0.56 0.09 0.27 0.00 -1.26 -4.93 105.19 104.34 1nfx n GLY 25 Ca 0.27 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.17 1nfx n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1nfx h GLU 26 N 1.46 0.17 -2.03 1.61 5.08 -1.54 -3.39 114.58 115.94 1nfx h GLU 26 Ca 0.00 -0.27 -0.54 0.00 -1.00 0.00 0.00 59.36 57.55 1nfx h GLU 26 Cb 0.12 0.10 -0.41 0.00 0.50 0.00 0.00 28.75 29.06 1nfx h GLU 26 CO 0.00 1.11 -0.88 0.00 -1.00 0.00 0.00 179.01 178.24 1nfx h PRO 28 N 2.95 0.00 -0.01 0.00 0.13 -1.80 -2.74 132.00 130.53 1nfx h PRO 28 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1nfx h PRO 28 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1nfx h PRO 28 CO 0.69 0.00 -0.07 -2.67 -0.23 0.00 0.00 178.00 175.71 1nfx n TRP 29 N -2.84 0.00 -2.33 1.56 2.14 -1.04 -1.71 117.44 113.22 1nfx n TRP 29 Ca -0.01 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.14 1nfx n TRP 29 Cb 0.13 -0.04 -0.03 0.00 -0.81 0.00 0.00 31.31 30.56 1nfx n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1nfx s GLN 30 N -2.15 4.41 0.25 -2.67 2.00 -1.04 -0.52 119.66 119.94 1nfx s GLN 30 Ca 0.34 1.89 0.11 0.00 -2.00 0.00 0.00 55.36 55.71 1nfx s GLN 30 Cb 0.20 -3.29 -0.05 0.00 0.80 0.00 0.00 33.01 30.68 1nfx s GLN 30 CO 0.39 -0.27 -0.20 0.00 -0.50 0.00 0.00 175.29 174.70 1nfx s ALA 31 N 0.80 2.61 -0.08 1.58 0.00 -0.54 -4.31 121.76 121.81 1nfx s ALA 31 Ca 0.59 -1.79 -0.00 0.00 0.00 0.00 0.00 51.96 50.76 1nfx s ALA 31 Cb -0.33 -0.26 0.03 0.00 0.00 0.00 0.00 23.12 22.56 1nfx s ALA 31 CO 0.31 0.30 -0.04 -1.17 0.00 0.00 0.00 175.76 175.17 1nfx s LEU 32 N -3.26 0.95 -0.11 0.00 2.96 0.17 -2.08 118.68 117.31 1nfx s LEU 32 Ca 0.27 -0.16 -0.27 0.00 -0.22 0.00 0.00 54.13 53.74 1nfx s LEU 32 Cb -0.05 -0.57 -0.02 0.00 0.50 0.00 0.00 46.19 46.04 1nfx s LEU 32 CO 0.13 -0.13 0.89 -0.76 -1.32 0.00 0.00 176.35 175.16 1nfx s LEU 33 N 1.63 4.24 0.03 -0.68 1.43 -0.67 -0.69 118.68 123.98 1nfx s LEU 33 Ca 0.01 1.36 0.09 0.00 -1.03 0.00 0.00 54.13 54.56 1nfx s LEU 33 Cb -0.13 -3.37 -0.03 0.00 0.03 0.00 0.00 46.19 42.70 1nfx s LEU 33 CO -0.05 -0.36 -0.25 0.27 0.23 0.00 0.00 176.35 176.19 1nfx s ILE 34 N 1.76 2.23 0.73 -0.59 -4.36 -0.05 -1.23 121.20 119.70 1nfx s ILE 34 Ca 0.43 -1.32 -0.04 0.00 -0.26 0.00 0.00 60.65 59.47 1nfx s ILE 34 Cb -0.18 -1.86 0.15 0.00 1.25 0.00 0.00 42.46 41.82 1nfx s ILE 34 CO 0.17 0.40 1.00 -0.46 0.24 0.00 0.00 174.94 176.29 1nfx n ASN 35 N 1.85 0.96 0.28 4.36 0.23 -0.92 -1.10 115.26 120.91 1nfx n ASN 35 Ca -0.17 -1.90 0.18 0.00 -0.53 0.00 0.00 54.58 52.16 1nfx n ASN 35 Cb 0.52 -0.69 0.92 0.00 -2.08 0.00 0.00 39.78 38.45 1nfx n ASN 35 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1nfx h GLU 36 N 0.00 0.00 -0.57 -3.83 9.09 -1.91 0.20 114.58 117.55 1nfx h GLU 36 Ca -0.33 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.08 1nfx h GLU 36 Cb 1.12 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.22 1nfx h GLU 36 CO 0.32 0.00 0.00 0.39 0.05 0.00 0.00 179.01 179.77 1nfx n GLU 37 N -3.31 2.37 -1.21 1.06 -0.58 -1.26 -4.95 120.64 112.77 1nfx n GLU 37 Ca -0.00 -2.13 -0.07 0.00 -0.42 0.00 0.00 57.16 54.53 1nfx n GLU 37 Cb 0.30 -1.47 -0.03 0.00 -0.57 0.00 0.00 31.44 29.67 1nfx n GLU 37 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1nfx n ASN 38 N 1.24 -4.15 -4.66 1.62 4.13 0.69 -5.03 115.26 109.10 1nfx n ASN 38 Ca 0.20 0.18 -0.35 0.00 1.68 0.00 0.00 54.58 56.29 1nfx n ASN 38 Cb 0.51 -2.27 -0.09 0.00 -1.54 0.00 0.00 39.78 36.38 1nfx n ASN 38 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 1nfx s GLU 39 N -2.35 3.68 0.32 3.52 -1.05 -1.26 -4.81 118.70 116.73 1nfx s GLU 39 Ca 0.00 -0.35 -0.29 0.00 -0.15 0.00 0.00 54.97 54.19 1nfx s GLU 39 Cb 0.00 -3.09 -0.10 0.00 -0.44 0.00 0.00 34.13 30.49 1nfx s GLU 39 CO 0.00 0.43 1.30 0.20 0.95 0.00 0.00 175.26 178.14 1nfx s GLY 40 N -0.07 2.94 0.00 -3.83 0.00 -1.26 -2.17 107.32 102.92 1nfx s GLY 40 Ca 0.06 1.24 0.00 0.00 0.00 0.00 0.00 44.72 46.02 1nfx s GLY 40 CO 0.01 1.92 0.00 1.97 0.00 0.00 0.00 173.10 177.00 1nfx n PHE 41 N 1.00 0.00 -3.86 1.90 1.16 -0.37 -4.96 117.46 112.34 1nfx n PHE 41 Ca 0.01 0.00 -0.07 0.00 -1.87 0.00 0.00 57.45 55.51 1nfx n PHE 41 Cb 0.42 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.27 1nfx n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1nfx n GLY 43 N -0.45 2.97 3.75 0.00 0.00 0.21 -1.67 105.19 109.99 1nfx n GLY 43 Ca -0.04 -2.26 -0.03 0.00 0.00 0.00 0.00 46.02 43.69 1nfx n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nfx s GLY 44 N -3.20 -0.23 -0.06 -0.02 0.00 -0.88 -3.49 107.32 99.44 1nfx s GLY 44 Ca 0.17 0.17 0.03 0.00 0.00 0.00 0.00 44.72 45.09 1nfx s GLY 44 CO 0.11 0.18 -0.15 -1.59 0.00 0.00 0.00 173.10 171.65 1nfx s THR 45 N -3.09 1.29 -0.12 0.90 2.01 -0.02 -1.47 115.64 115.14 1nfx s THR 45 Ca 0.13 -0.59 -0.30 0.00 0.31 0.00 0.00 61.69 61.24 1nfx s THR 45 Cb -0.01 -1.15 -0.02 0.00 0.01 0.00 0.00 72.50 71.34 1nfx s THR 45 CO 0.02 0.38 1.19 -0.63 -0.69 0.00 0.00 174.62 174.89 1nfx s ILE 46 N 0.42 4.36 -0.19 1.82 1.01 0.32 -0.67 121.20 128.26 1nfx s ILE 46 Ca -0.11 1.66 0.14 0.00 0.00 0.00 0.00 60.65 62.34 1nfx s ILE 46 Cb -0.14 -4.07 -0.22 0.00 0.01 0.00 0.00 42.46 38.04 1nfx s ILE 46 CO 0.04 -0.07 0.02 0.18 0.00 0.00 0.00 174.94 175.10 1nfx n LEU 47 N 5.84 0.50 0.00 2.97 4.77 -0.13 -1.88 117.00 129.06 1nfx n LEU 47 Ca 0.12 -0.02 -0.03 0.00 -0.03 0.00 0.00 56.01 56.04 1nfx n LEU 47 Cb 0.46 0.24 0.01 0.00 -2.33 0.00 0.00 43.42 41.80 1nfx n LEU 47 CO 0.55 0.53 0.32 -1.54 -1.33 0.00 0.00 177.39 175.92 1nfx n SER 48 N -2.77 -1.06 0.26 -1.43 3.41 -1.14 -4.68 113.62 106.22 1nfx n SER 48 Ca -0.32 -1.67 0.13 0.00 -0.26 0.00 0.00 58.87 56.74 1nfx n SER 48 Cb 1.08 1.74 0.71 0.00 -0.26 0.00 0.00 64.21 67.48 1nfx n SER 48 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1nfx h GLU 49 N 0.00 0.00 0.00 4.33 4.11 -1.98 -3.17 114.58 117.87 1nfx h GLU 49 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.27 1nfx h GLU 49 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1nfx h GLU 49 CO 0.20 0.13 -0.57 1.19 0.07 0.00 0.00 179.01 180.02 1nfx n PHE 50 N -3.58 0.00 -5.06 2.06 3.72 -1.26 -0.21 117.46 113.13 1nfx n PHE 50 Ca -0.02 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.10 1nfx n PHE 50 Cb 0.26 -0.03 -0.16 0.00 -0.94 0.00 0.00 39.48 38.61 1nfx n PHE 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1nfx s TYR 51 N -1.99 2.08 -0.07 1.38 2.02 -1.20 -0.98 117.35 118.60 1nfx s TYR 51 Ca 0.03 -0.61 0.04 0.00 -0.37 0.00 0.00 57.07 56.15 1nfx s TYR 51 Cb 0.07 -1.38 -0.02 0.00 -0.40 0.00 0.00 41.96 40.23 1nfx s TYR 51 CO 0.39 -0.19 -0.17 0.42 -1.57 0.00 0.00 175.55 174.42 1nfx s ILE 52 N -0.06 2.76 -0.18 2.71 -1.09 -0.38 -0.96 121.20 124.00 1nfx s ILE 52 Ca -0.04 -0.81 -0.08 0.00 -2.23 0.00 0.00 60.65 57.48 1nfx s ILE 52 Cb -0.13 -2.08 -0.04 0.00 -1.58 0.00 0.00 42.46 38.63 1nfx s ILE 52 CO 0.03 0.57 0.09 -0.22 -1.23 0.00 0.00 174.94 174.18 1nfx s LEU 53 N -0.34 3.99 0.00 2.97 2.96 0.15 -0.57 118.68 127.84 1nfx s LEU 53 Ca 0.03 0.16 -0.00 0.00 -0.22 0.00 0.00 54.13 54.09 1nfx s LEU 53 Cb -0.13 -2.01 0.00 0.00 0.50 0.00 0.00 46.19 44.55 1nfx s LEU 53 CO 0.02 0.19 0.22 1.07 -1.32 0.00 0.00 176.35 176.53 1nfx n THR 54 N 3.44 0.00 -3.43 3.68 5.66 -0.17 -0.84 114.28 122.62 1nfx n THR 54 Ca -0.17 -0.88 -0.38 0.00 -3.05 0.00 0.00 64.05 59.57 1nfx n THR 54 Cb 0.52 0.52 -0.06 0.00 -1.55 0.00 0.00 70.33 69.77 1nfx n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1nfx s ALA 55 N -2.21 3.62 0.44 1.79 0.00 -1.26 -1.16 121.76 122.98 1nfx s ALA 55 Ca 0.14 -0.20 0.16 0.00 0.00 0.00 0.00 51.96 52.06 1nfx s ALA 55 Cb -0.00 -2.48 1.03 0.00 0.00 0.00 0.00 23.12 21.67 1nfx s ALA 55 CO 0.10 0.32 1.99 0.00 0.00 0.00 0.00 175.76 178.17 1nfx h ALA 56 N 5.34 1.63 0.00 0.00 0.00 -1.74 -1.95 119.26 122.53 1nfx h ALA 56 Ca -0.48 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1nfx h ALA 56 Cb 1.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1nfx h ALA 56 CO 0.66 0.24 0.00 -2.39 0.00 0.00 0.00 179.25 177.76 1nfx n HIS 57 N -4.23 0.02 0.07 0.00 1.44 -1.26 -2.47 115.22 108.79 1nfx n HIS 57 Ca -0.02 0.01 -0.06 0.00 -2.01 0.00 0.00 57.72 55.64 1nfx n HIS 57 Cb 0.26 -0.51 -0.10 0.00 0.12 0.00 0.00 29.99 29.75 1nfx n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1nfx n LEU 59 N -3.32 0.30 0.00 0.00 4.77 -1.03 -0.35 117.00 117.37 1nfx n LEU 59 Ca -0.00 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1nfx n LEU 59 Cb 0.92 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.86 1nfx n LEU 59 CO 0.46 0.07 0.37 -1.22 -1.33 0.00 0.00 177.39 175.75 1nfx n TYR 60 N -0.06 0.00 0.96 -1.77 0.53 -1.21 -4.67 117.16 110.93 1nfx n TYR 60 Ca 0.00 -0.27 0.11 0.00 -1.02 0.00 0.00 57.90 56.72 1nfx n TYR 60 Cb 0.07 -0.03 0.07 0.00 -1.03 0.00 0.00 39.34 38.43 1nfx n TYR 60 CO 0.00 0.00 0.00 0.94 -1.02 0.00 0.00 176.86 176.78 1nfx n GLN 61 N -0.27 1.95 -3.64 -0.72 -0.06 0.53 -4.96 117.38 110.20 1nfx n GLN 61 Ca 0.00 -1.63 -0.08 0.00 -2.00 0.00 0.00 57.00 53.29 1nfx n GLN 61 Cb 0.19 -1.44 -0.07 0.00 -4.06 0.00 0.00 30.24 24.86 1nfx n GLN 61 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1nfx s ALA 61 N -2.05 -2.03 0.21 1.69 0.00 -1.26 -5.03 121.76 113.30 1nfx s ALA 61 Ca 0.24 2.01 0.01 0.00 0.00 0.00 0.00 51.96 54.22 1nfx s ALA 61 Cb 0.19 -1.49 0.17 0.00 0.00 0.00 0.00 23.12 21.99 1nfx s ALA 61 CO 0.36 -0.28 1.52 -0.22 0.00 0.00 0.00 175.76 177.13 1nfx h LYS 62 N 4.91 0.37 -3.84 0.00 3.64 -1.93 -3.43 116.57 116.29 1nfx h LYS 62 Ca -0.28 -0.26 -0.33 0.00 -1.27 0.00 0.00 60.65 58.51 1nfx h LYS 62 Cb 1.18 0.04 -0.32 0.00 -0.41 0.00 0.00 32.23 32.72 1nfx h LYS 62 CO 0.13 0.87 -0.75 1.03 -2.27 0.00 0.00 179.45 178.46 1nfx s ARG 63 N -3.80 0.32 0.18 1.90 1.81 -1.26 -5.15 118.95 112.95 1nfx s ARG 63 Ca -0.05 0.01 -0.15 0.00 -1.72 0.00 0.00 55.73 53.82 1nfx s ARG 63 Cb 0.11 -0.43 0.02 0.00 -0.45 0.00 0.00 34.95 34.20 1nfx s ARG 63 CO 0.82 -0.07 0.44 -0.59 -0.68 0.00 0.00 175.30 175.22 1nfx s PHE 64 N 0.69 0.04 0.30 -0.53 -0.71 -1.26 -3.39 117.98 113.11 1nfx s PHE 64 Ca -0.07 -0.39 0.03 0.00 -1.04 0.00 0.00 56.93 55.46 1nfx s PHE 64 Cb -0.10 0.25 -0.04 0.00 -1.21 0.00 0.00 43.02 41.92 1nfx s PHE 64 CO -0.01 -0.85 0.13 0.15 -1.34 0.00 0.00 175.22 173.30 1nfx s LYS 65 N -3.90 1.56 -0.13 1.99 1.02 -0.26 -4.55 119.74 115.47 1nfx s LYS 65 Ca 0.11 -1.88 0.01 0.00 0.02 0.00 0.00 55.97 54.24 1nfx s LYS 65 Cb 0.00 -0.21 -0.01 0.00 -0.52 0.00 0.00 37.83 37.10 1nfx s LYS 65 CO -0.02 -0.39 -0.16 0.08 -0.92 0.00 0.00 175.35 173.93 1nfx s VAL 66 N -3.62 2.68 -0.12 3.17 1.01 0.41 -0.87 120.40 123.05 1nfx s VAL 66 Ca 0.36 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 1nfx s VAL 66 Cb 0.06 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 1nfx s VAL 66 CO 0.16 0.53 -0.08 -0.60 0.00 0.00 0.00 175.10 175.11 1nfx s ARG 67 N 0.51 3.32 0.29 2.72 3.52 0.13 0.73 118.95 130.17 1nfx s ARG 67 Ca -0.11 -0.59 0.10 0.00 -0.13 0.00 0.00 55.73 55.00 1nfx s ARG 67 Cb -0.16 -2.72 -0.06 0.00 -1.56 0.00 0.00 34.95 30.46 1nfx s ARG 67 CO 0.05 0.34 -0.15 0.14 -0.81 0.00 0.00 175.30 174.87 1nfx s VAL 68 N 0.05 2.24 -0.51 7.11 -7.23 -0.53 -0.66 120.40 120.88 1nfx s VAL 68 Ca -0.02 -2.30 0.00 0.00 -1.81 0.00 0.00 61.98 57.85 1nfx s VAL 68 Cb -0.14 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.40 1nfx s VAL 68 CO 0.03 -0.35 0.00 0.61 -0.31 0.00 0.00 175.10 175.09 1nfx n GLY 69 N -0.65 0.73 3.87 2.32 0.00 -1.24 -1.91 105.19 108.32 1nfx n GLY 69 Ca -0.05 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 1nfx n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nfx s ASP 70 N -2.57 6.55 0.00 1.61 -1.08 -1.26 -3.90 116.67 116.02 1nfx s ASP 70 Ca 0.00 0.64 0.00 0.00 -0.52 0.00 0.00 52.55 52.67 1nfx s ASP 70 Cb 0.00 -2.12 0.00 0.00 -1.46 0.00 0.00 42.92 39.34 1nfx s ASP 70 CO 0.00 0.27 0.00 0.54 0.52 0.00 0.00 175.17 176.50 1nfx n ARG 71 N 1.31 5.23 -3.39 4.34 1.74 -1.26 -4.84 116.66 119.80 1nfx n ARG 71 Ca -0.12 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.77 1nfx n ARG 71 Cb 0.53 -0.53 -0.09 0.00 -1.02 0.00 0.00 32.46 31.35 1nfx n ARG 71 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1nfx s ASN 72 N -0.20 1.57 0.00 0.55 3.04 -1.25 -1.00 114.94 117.64 1nfx s ASN 72 Ca 0.00 -1.38 0.01 0.00 0.04 0.00 0.00 52.86 51.53 1nfx s ASN 72 Cb 0.00 0.42 0.06 0.00 -1.54 0.00 0.00 41.25 40.19 1nfx s ASN 72 CO 0.00 -0.31 0.88 0.35 -3.04 0.00 0.00 177.10 174.98 1nfx n THR 73 N 4.58 1.30 1.48 -5.21 -2.24 0.03 -2.56 114.28 111.67 1nfx n THR 73 Ca 0.07 0.32 0.13 0.00 -2.27 0.00 0.00 64.05 62.30 1nfx n THR 73 Cb 0.45 -1.30 0.52 0.00 -2.10 0.00 0.00 70.33 67.89 1nfx n THR 73 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nfx n GLU 74 N -1.34 1.61 -3.62 -0.78 1.02 -1.26 -4.93 120.64 111.34 1nfx n GLU 74 Ca 0.00 -0.89 -0.07 0.00 -0.02 0.00 0.00 57.16 56.18 1nfx n GLU 74 Cb 0.01 -1.45 -0.02 0.00 -0.02 0.00 0.00 31.44 29.96 1nfx n GLU 74 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1nfx s GLN 75 N -1.94 1.16 -0.36 3.49 -1.52 -1.06 -5.14 119.66 114.29 1nfx s GLN 75 Ca 0.37 -0.55 -0.06 0.00 -1.95 0.00 0.00 55.36 53.17 1nfx s GLN 75 Cb 0.20 0.46 0.06 0.00 -0.22 0.00 0.00 33.01 33.50 1nfx s GLN 75 CO 0.31 -0.52 0.15 -1.21 -0.25 0.00 0.00 175.29 173.77 1nfx s GLU 76 N -3.40 2.54 0.39 2.91 2.02 -1.26 -4.79 118.70 117.11 1nfx s GLU 76 Ca 0.07 -1.32 0.14 0.00 0.02 0.00 0.00 54.97 53.88 1nfx s GLU 76 Cb -0.02 -3.54 0.78 0.00 0.10 0.00 0.00 34.13 31.46 1nfx s GLU 76 CO -0.04 -0.78 1.85 1.49 0.02 0.00 0.00 175.26 177.80 1nfx h GLU 77 N 8.23 0.00 0.00 1.61 4.22 -1.95 -3.47 114.58 123.23 1nfx h GLU 77 Ca -0.22 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.22 1nfx h GLU 77 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1nfx h GLU 77 CO 0.65 0.34 0.00 0.41 -2.18 0.00 0.00 179.01 178.23 1nfx n GLY 78 N -0.50 1.81 0.52 1.92 0.00 -1.26 -4.95 105.19 102.73 1nfx n GLY 78 Ca -0.02 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.14 1nfx n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nfx n GLY 79 N -0.84 0.07 3.78 -0.02 0.00 -1.26 -4.93 105.19 101.98 1nfx n GLY 79 Ca 0.00 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 1nfx n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nfx s GLU 80 N -2.06 2.79 -0.24 1.61 8.01 -1.25 -4.54 118.70 123.02 1nfx s GLU 80 Ca 0.35 1.27 -0.11 0.00 0.01 0.00 0.00 54.97 56.49 1nfx s GLU 80 Cb 0.21 -1.96 0.08 0.00 -4.31 0.00 0.00 34.13 28.15 1nfx s GLU 80 CO 0.35 -1.24 0.55 0.00 0.01 0.00 0.00 175.26 174.93 1nfx s ALA 81 N -2.54 -1.54 -0.09 5.21 0.00 -0.80 -4.99 121.76 117.02 1nfx s ALA 81 Ca 0.64 1.98 -0.11 0.00 0.00 0.00 0.00 51.96 54.48 1nfx s ALA 81 Cb -0.18 -1.33 -0.05 0.00 0.00 0.00 0.00 23.12 21.56 1nfx s ALA 81 CO 0.45 -0.51 0.25 0.08 0.00 0.00 0.00 175.76 176.02 1nfx s VAL 82 N 1.97 5.32 -0.03 0.00 1.01 -1.26 -1.45 120.40 125.97 1nfx s VAL 82 Ca -0.08 0.46 0.03 0.00 0.00 0.00 0.00 61.98 62.40 1nfx s VAL 82 Cb -0.09 -3.53 -0.00 0.00 0.00 0.00 0.00 36.38 32.76 1nfx s VAL 82 CO -0.16 0.57 -0.13 -1.00 0.00 0.00 0.00 175.10 174.38 1nfx s HIS 83 N -0.80 1.26 0.29 5.22 3.76 0.22 -4.98 115.29 120.26 1nfx s HIS 83 Ca 0.18 -0.32 -0.15 0.00 -0.15 0.00 0.00 55.06 54.62 1nfx s HIS 83 Cb -0.14 -0.86 -0.09 0.00 1.11 0.00 0.00 32.58 32.61 1nfx s HIS 83 CO 0.07 -0.10 0.72 -1.21 -0.85 0.00 0.00 174.74 173.36 1nfx s GLU 84 N 0.02 4.03 -0.10 1.40 2.02 -1.26 -0.45 118.70 124.36 1nfx s GLU 84 Ca -0.01 0.67 -0.18 0.00 0.02 0.00 0.00 54.97 55.47 1nfx s GLU 84 Cb -0.09 -2.54 -0.04 0.00 0.10 0.00 0.00 34.13 31.56 1nfx s GLU 84 CO 0.01 0.22 0.50 0.08 0.02 0.00 0.00 175.26 176.08 1nfx s VAL 85 N -1.88 5.15 -0.14 2.63 1.01 -1.26 -1.56 120.40 124.35 1nfx s VAL 85 Ca 0.51 1.00 -0.02 0.00 0.00 0.00 0.00 61.98 63.48 1nfx s VAL 85 Cb -0.12 -3.83 -0.24 0.00 0.00 0.00 0.00 36.38 32.19 1nfx s VAL 85 CO 0.18 0.34 0.27 1.21 0.00 0.00 0.00 175.10 177.11 1nfx n GLU 86 N 3.49 0.72 -3.79 2.72 2.13 0.17 -4.74 120.64 121.34 1nfx n GLU 86 Ca -0.07 0.23 -0.13 0.00 0.66 0.00 0.00 57.16 57.86 1nfx n GLU 86 Cb 0.52 -1.67 -0.11 0.00 0.27 0.00 0.00 31.44 30.44 1nfx n GLU 86 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1nfx s VAL 87 N -2.55 0.01 -0.18 6.31 -7.23 -0.95 -5.01 120.40 110.79 1nfx s VAL 87 Ca -0.22 -0.08 -0.04 0.00 -1.81 0.00 0.00 61.98 59.83 1nfx s VAL 87 Cb 0.07 -0.37 -0.02 0.00 0.56 0.00 0.00 36.38 36.62 1nfx s VAL 87 CO 0.75 -0.04 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.76 1nfx s VAL 88 N -0.06 3.62 -0.38 1.32 1.01 -1.26 -1.31 120.40 123.34 1nfx s VAL 88 Ca -0.02 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1nfx s VAL 88 Cb -0.02 -2.61 0.11 0.00 0.00 0.00 0.00 36.38 33.85 1nfx s VAL 88 CO 0.01 0.46 0.13 -0.63 0.00 0.00 0.00 175.10 175.06 1nfx s ILE 89 N 0.89 2.81 -0.06 2.22 1.01 0.91 -5.01 121.20 123.98 1nfx s ILE 89 Ca -0.01 -2.20 -0.08 0.00 0.00 0.00 0.00 60.65 58.37 1nfx s ILE 89 Cb -0.15 -2.99 -0.05 0.00 0.01 0.00 0.00 42.46 39.29 1nfx s ILE 89 CO 0.01 -0.65 0.23 -0.75 0.00 0.00 0.00 174.94 173.78 1nfx s LYS 90 N 1.03 3.56 0.14 2.79 2.20 -1.26 -0.11 119.74 128.10 1nfx s LYS 90 Ca 0.10 -0.03 -0.31 0.00 -0.36 0.00 0.00 55.97 55.36 1nfx s LYS 90 Cb -0.21 -3.16 -0.10 0.00 -1.51 0.00 0.00 37.83 32.85 1nfx s LYS 90 CO -0.06 0.72 1.68 -1.58 -0.36 0.00 0.00 175.35 175.75 1nfx s HIS 91 N -1.13 2.69 0.57 4.03 5.65 -1.04 -4.86 115.29 121.20 1nfx s HIS 91 Ca 0.21 0.36 0.27 0.00 0.25 0.00 0.00 55.06 56.14 1nfx s HIS 91 Cb -0.13 -4.04 1.68 0.00 -1.18 0.00 0.00 32.58 28.91 1nfx s HIS 91 CO 0.10 -4.03 2.21 -2.95 -0.65 0.00 0.00 174.74 169.42 1nfx h ASN 92 N 7.52 0.00 -0.46 9.88 -0.00 -1.94 -2.46 115.58 128.12 1nfx h ASN 92 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.87 1nfx h ASN 92 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.53 1nfx h ASN 92 CO 0.93 0.00 0.00 0.54 -0.00 0.00 0.00 177.43 178.90 1nfx n ARG 93 N -4.00 2.28 -1.92 4.14 1.74 -1.26 -4.95 116.66 112.69 1nfx n ARG 93 Ca -0.02 -1.73 -0.42 0.00 -0.77 0.00 0.00 57.85 54.91 1nfx n ARG 93 Cb 0.12 -1.45 -0.03 0.00 -1.02 0.00 0.00 32.46 30.08 1nfx n ARG 93 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1nfx s PHE 94 N -1.48 3.01 -0.19 -1.55 5.36 -0.93 -4.68 117.98 117.52 1nfx s PHE 94 Ca 0.32 0.71 0.01 0.00 -0.96 0.00 0.00 56.93 57.01 1nfx s PHE 94 Cb 0.18 -3.94 0.04 0.00 -0.34 0.00 0.00 43.02 38.96 1nfx s PHE 94 CO 0.20 -3.34 -0.11 0.95 -1.46 0.00 0.00 175.22 171.45 1nfx s THR 95 N 0.76 1.62 0.36 0.12 -4.23 -1.04 -5.02 115.64 108.22 1nfx s THR 95 Ca 0.67 -0.93 0.05 0.00 -1.18 0.00 0.00 61.69 60.31 1nfx s THR 95 Cb -0.44 -1.66 0.20 0.00 1.34 0.00 0.00 72.50 71.93 1nfx s THR 95 CO 0.36 0.23 1.94 0.07 -0.54 0.00 0.00 174.62 176.68 1nfx h LYS 96 N 7.99 0.54 -0.91 3.99 2.10 -1.94 0.91 116.57 129.25 1nfx h LYS 96 Ca -0.30 -0.08 0.06 0.00 -2.00 0.00 0.00 60.65 58.33 1nfx h LYS 96 Cb 1.11 -0.10 -0.06 0.00 -0.90 0.00 0.00 32.23 32.28 1nfx h LYS 96 CO 0.49 0.49 0.59 1.49 -2.00 0.00 0.00 179.45 180.50 1nfx h GLU 97 N 0.53 1.00 0.00 0.07 4.57 -1.98 -3.30 114.58 115.47 1nfx h GLU 97 Ca 0.13 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1nfx h GLU 97 Cb 0.18 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 1nfx h GLU 97 CO -0.01 0.66 0.00 0.25 -1.18 0.00 0.00 179.01 178.74 1nfx n THR 98 N -4.49 0.00 -1.13 0.32 -2.24 -1.16 -5.02 114.28 100.57 1nfx n THR 98 Ca 0.14 -0.49 -0.04 0.00 -2.27 0.00 0.00 64.05 61.39 1nfx n THR 98 Cb 0.20 1.01 -0.02 0.00 -2.10 0.00 0.00 70.33 69.41 1nfx n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1nfx n TYR 99 N -0.79 0.00 -2.40 4.78 4.02 0.30 -4.96 117.16 118.12 1nfx n TYR 99 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.52 1nfx n TYR 99 Cb 0.00 -1.12 -0.02 0.00 -0.02 0.00 0.00 39.34 38.17 1nfx n TYR 99 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1nfx s ASP 100 N -2.82 6.43 -1.28 7.72 2.15 -1.20 -3.42 116.67 124.24 1nfx s ASP 100 Ca 0.00 2.17 -0.01 0.00 0.43 0.00 0.00 52.55 55.14 1nfx s ASP 100 Cb 0.00 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 1nfx s ASP 100 CO 0.00 -0.73 0.82 0.49 -0.17 0.00 0.00 175.17 175.58 1nfx n PHE 101 N -0.34 -2.04 -2.36 -5.34 3.01 -1.26 -2.49 117.46 106.64 1nfx n PHE 101 Ca 0.06 0.88 -0.43 0.00 1.01 0.00 0.00 57.45 58.98 1nfx n PHE 101 Cb 0.49 -4.64 0.00 0.00 -0.01 0.00 0.00 39.48 35.32 1nfx n PHE 101 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1nfx n ASP 102 N -3.08 4.87 -3.78 4.37 2.03 -1.22 -4.25 116.55 115.49 1nfx n ASP 102 Ca -0.28 -3.02 -0.13 0.00 0.52 0.00 0.00 54.79 51.88 1nfx n ASP 102 Cb 0.67 -1.55 -0.11 0.00 -0.72 0.00 0.00 41.12 39.40 1nfx n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1nfx s ILE 103 N 1.47 0.00 -0.02 5.18 2.07 -1.26 -4.13 121.20 124.50 1nfx s ILE 103 Ca 0.43 -0.01 -0.15 0.00 -1.41 0.00 0.00 60.65 59.52 1nfx s ILE 103 Cb 0.08 -0.38 0.02 0.00 0.13 0.00 0.00 42.46 42.31 1nfx s ILE 103 CO -0.01 -0.00 0.31 0.00 -1.91 0.00 0.00 174.94 173.33 1nfx s ALA 104 N 0.13 -0.79 -0.05 1.50 0.00 -0.31 -2.51 121.76 119.74 1nfx s ALA 104 Ca -0.00 0.36 0.06 0.00 0.00 0.00 0.00 51.96 52.38 1nfx s ALA 104 Cb -0.02 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 1nfx s ALA 104 CO 0.00 -0.25 -0.22 0.08 0.00 0.00 0.00 175.76 175.37 1nfx s VAL 105 N -1.24 1.84 -0.13 0.00 1.01 0.85 -1.00 120.40 121.73 1nfx s VAL 105 Ca -0.13 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 60.91 1nfx s VAL 105 Cb -0.05 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 1nfx s VAL 105 CO 0.04 0.52 -0.14 -0.76 0.00 0.00 0.00 175.10 174.75 1nfx s LEU 106 N -0.12 2.63 -0.22 3.92 1.43 0.26 -0.06 118.68 126.52 1nfx s LEU 106 Ca -0.03 -0.36 -0.08 0.00 -1.03 0.00 0.00 54.13 52.63 1nfx s LEU 106 Cb -0.13 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 1nfx s LEU 106 CO 0.03 0.16 0.08 -0.60 0.23 0.00 0.00 176.35 176.25 1nfx s ARG 107 N 0.35 3.82 0.34 1.70 3.52 -0.42 -1.25 118.95 127.02 1nfx s ARG 107 Ca -0.12 -0.40 -0.20 0.00 -0.13 0.00 0.00 55.73 54.87 1nfx s ARG 107 Cb -0.16 -3.32 -0.10 0.00 -1.56 0.00 0.00 34.95 29.81 1nfx s ARG 107 CO 0.06 0.01 0.85 -0.51 -0.81 0.00 0.00 175.30 174.90 1nfx s LEU 108 N 1.10 4.14 0.20 -0.88 1.43 -0.15 0.46 118.68 124.98 1nfx s LEU 108 Ca 0.05 1.57 -0.07 0.00 -1.03 0.00 0.00 54.13 54.64 1nfx s LEU 108 Cb -0.14 -4.13 0.13 0.00 0.03 0.00 0.00 46.19 42.08 1nfx s LEU 108 CO 0.03 -0.18 1.66 0.11 0.23 0.00 0.00 176.35 178.20 1nfx h LYS 109 N 2.56 0.98 -6.80 1.70 1.57 -1.58 -3.42 116.57 111.58 1nfx h LYS 109 Ca -0.48 -0.32 -0.69 0.00 -1.87 0.00 0.00 60.65 57.29 1nfx h LYS 109 Cb 1.18 -0.08 -0.23 0.00 0.08 0.00 0.00 32.23 33.17 1nfx h LYS 109 CO 0.64 0.99 -0.86 0.95 -0.57 0.00 0.00 179.45 180.60 1nfx s THR 110 N -4.94 2.31 0.48 -0.16 -4.23 -1.26 -5.03 115.64 102.82 1nfx s THR 110 Ca -0.11 -1.55 -0.22 0.00 -1.18 0.00 0.00 61.69 58.64 1nfx s THR 110 Cb 0.14 -1.98 -0.07 0.00 1.34 0.00 0.00 72.50 71.93 1nfx s THR 110 CO 0.85 0.22 1.13 -2.16 -0.54 0.00 0.00 174.62 174.12 1nfx s PRO 111 N -1.70 3.68 -0.05 3.99 0.04 -1.26 -4.87 135.00 134.82 1nfx s PRO 111 Ca 0.14 1.66 -0.27 0.00 0.04 0.00 0.00 61.00 62.57 1nfx s PRO 111 Cb -0.10 -2.27 -0.03 0.00 0.04 0.00 0.00 34.50 32.14 1nfx s PRO 111 CO 0.05 -0.59 0.86 0.42 0.04 0.00 0.00 177.00 177.78 1nfx s ILE 112 N -1.67 4.93 -0.48 0.56 1.01 0.71 -5.01 121.20 121.26 1nfx s ILE 112 Ca 0.66 1.78 -0.21 0.00 0.00 0.00 0.00 60.65 62.88 1nfx s ILE 112 Cb -0.25 -4.19 0.04 0.00 0.01 0.00 0.00 42.46 38.06 1nfx s ILE 112 CO 0.30 0.17 0.70 -0.89 0.00 0.00 0.00 174.94 175.22 1nfx s THR 113 N 1.15 4.75 0.27 2.92 2.01 -1.26 -4.74 115.64 120.74 1nfx s THR 113 Ca 0.45 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 62.16 1nfx s THR 113 Cb -0.19 -4.30 -0.10 0.00 0.01 0.00 0.00 72.50 67.92 1nfx s THR 113 CO 0.22 -0.75 1.45 -0.36 -0.69 0.00 0.00 174.62 174.49 1nfx s PHE 114 N 3.00 2.97 0.00 4.92 0.08 -1.26 -4.95 117.98 122.74 1nfx s PHE 114 Ca 0.23 1.03 0.00 0.00 0.12 0.00 0.00 56.93 58.30 1nfx s PHE 114 Cb -0.15 -3.85 0.00 0.00 -0.57 0.00 0.00 43.02 38.45 1nfx s PHE 114 CO 0.18 -2.75 0.00 2.89 -0.10 0.00 0.00 175.22 175.44 1nfx n ARG 115 N 2.13 0.00 -1.70 0.44 1.85 -0.32 -5.01 116.66 114.06 1nfx n ARG 115 Ca 0.06 0.00 -0.44 0.00 -1.00 0.00 0.00 57.85 56.47 1nfx n ARG 115 Cb 0.40 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.78 1nfx n ARG 115 CO 0.00 0.00 0.00 -0.12 -0.01 0.00 0.00 177.63 177.50 1nfx n MET 116 N 0.00 2.46 -1.11 2.89 0.00 -1.26 -0.89 117.12 119.21 1nfx n MET 116 Ca 0.00 0.89 -0.04 0.00 -0.00 0.00 0.00 57.70 58.55 1nfx n MET 116 Cb 0.00 -2.68 -0.02 0.00 0.00 0.00 0.00 33.22 30.52 1nfx n MET 116 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1nfx n ASN 117 N 3.49 -4.27 -3.44 6.12 3.02 -1.26 -4.97 115.26 113.96 1nfx n ASN 117 Ca 0.16 0.09 -0.22 0.00 -0.03 0.00 0.00 54.58 54.58 1nfx n ASN 117 Cb 0.32 -2.10 -0.11 0.00 -0.61 0.00 0.00 39.78 37.28 1nfx n ASN 117 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1nfx s VAL 118 N -1.87 -0.23 0.05 2.41 1.01 -0.07 -3.62 120.40 118.09 1nfx s VAL 118 Ca 0.00 -0.81 -0.20 0.00 0.00 0.00 0.00 61.98 60.97 1nfx s VAL 118 Cb 0.00 -0.95 0.04 0.00 0.00 0.00 0.00 36.38 35.48 1nfx s VAL 118 CO 0.00 -0.63 0.45 0.00 0.00 0.00 0.00 175.10 174.93 1nfx s ALA 119 N 1.96 -1.12 0.41 5.51 0.00 -0.69 -1.17 121.76 126.65 1nfx s ALA 119 Ca 0.12 0.40 -0.10 0.00 0.00 0.00 0.00 51.96 52.37 1nfx s ALA 119 Cb -0.16 0.38 -0.06 0.00 0.00 0.00 0.00 23.12 23.29 1nfx s ALA 119 CO -0.24 -0.49 0.77 -1.25 0.00 0.00 0.00 175.76 174.55 1nfx s PRO 120 N -2.55 3.75 0.22 0.00 0.04 -1.26 -2.51 135.00 132.69 1nfx s PRO 120 Ca -0.05 0.43 -0.06 0.00 0.04 0.00 0.00 61.00 61.37 1nfx s PRO 120 Cb -0.01 -2.39 -0.06 0.00 0.04 0.00 0.00 34.50 32.08 1nfx s PRO 120 CO -0.03 -0.05 0.49 0.00 0.04 0.00 0.00 177.00 177.45 1nfx s ALA 121 N -2.41 3.67 0.19 8.56 0.00 -0.79 -4.89 121.76 126.08 1nfx s ALA 121 Ca 0.51 -0.48 -0.25 0.00 0.00 0.00 0.00 51.96 51.74 1nfx s ALA 121 Cb -0.10 -2.27 -0.08 0.00 0.00 0.00 0.00 23.12 20.66 1nfx s ALA 121 CO 0.33 0.47 0.79 0.00 0.00 0.00 0.00 175.76 177.34 1nfx s LEU 123 N -1.30 4.26 0.00 0.00 1.43 -1.26 -0.39 118.68 121.42 1nfx s LEU 123 Ca 0.38 0.68 -0.01 0.00 -1.03 0.00 0.00 54.13 54.15 1nfx s LEU 123 Cb -0.22 -2.57 0.10 0.00 0.03 0.00 0.00 46.19 43.53 1nfx s LEU 123 CO 0.26 0.03 0.70 -0.81 0.23 0.00 0.00 176.35 176.76 1nfx n PRO 124 N 3.68 0.06 -3.70 1.29 -0.04 -1.26 -4.97 135.00 130.06 1nfx n PRO 124 Ca -0.09 -1.85 -0.36 0.00 -0.04 0.00 0.00 63.50 61.16 1nfx n PRO 124 Cb 0.52 -0.48 -0.06 0.00 -0.04 0.00 0.00 33.50 33.44 1nfx n PRO 124 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1nfx s GLU 124 N -4.30 3.66 0.05 0.54 2.02 -1.26 -5.01 118.70 114.40 1nfx s GLU 124 Ca 0.46 0.08 -0.16 0.00 0.02 0.00 0.00 54.97 55.37 1nfx s GLU 124 Cb -0.03 -3.15 -0.06 0.00 0.10 0.00 0.00 34.13 31.00 1nfx s GLU 124 CO 0.31 0.69 1.25 -0.09 0.02 0.00 0.00 175.26 177.44 1nfx h ARG 125 N 4.47 -0.25 -0.15 1.61 2.43 -1.99 -1.61 114.38 118.89 1nfx h ARG 125 Ca -0.52 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 58.70 1nfx h ARG 125 Cb 1.21 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.79 1nfx h ARG 125 CO 0.62 -0.17 -0.07 -0.44 -1.51 0.00 0.00 179.97 178.41 1nfx h ASP 126 N -0.26 -0.23 -0.70 -3.80 3.32 -1.96 -1.66 116.42 111.13 1nfx h ASP 126 Ca 0.02 0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.15 1nfx h ASP 126 Cb 0.31 0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.95 1nfx h ASP 126 CO -0.21 -0.09 0.44 -0.25 -1.72 0.00 0.00 179.24 177.41 1nfx h TRP 127 N -0.05 0.83 0.04 4.55 7.01 -1.99 -2.08 115.95 124.26 1nfx h TRP 127 Ca 0.08 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.10 1nfx h TRP 127 Cb 0.17 -0.27 0.00 0.00 -2.10 0.00 0.00 29.16 26.96 1nfx h TRP 127 CO -0.21 0.48 -0.02 0.00 -2.79 0.00 0.00 178.44 175.90 1nfx h ALA 128 N 1.29 -0.05 -0.29 2.65 0.00 -0.94 0.15 119.26 122.08 1nfx h ALA 128 Ca 0.28 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1nfx h ALA 128 Cb 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1nfx h ALA 128 CO -0.10 -0.48 -0.03 0.93 0.00 0.00 0.00 179.25 179.57 1nfx h GLU 129 N -0.15 0.44 0.15 0.00 5.08 -1.20 0.23 114.58 119.13 1nfx h GLU 129 Ca -0.01 -0.09 -0.34 0.00 -1.00 0.00 0.00 59.36 57.93 1nfx h GLU 129 Cb 0.13 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1nfx h GLU 129 CO 0.01 0.49 -1.71 0.77 -1.00 0.00 0.00 179.01 177.57 1nfx h SER 130 N 0.42 0.48 0.00 1.42 0.02 -1.31 -3.38 113.55 111.20 1nfx h SER 130 Ca 0.09 -0.76 -0.27 0.00 -0.84 0.00 0.00 61.79 60.02 1nfx h SER 130 Cb 0.32 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.66 1nfx h SER 130 CO 0.01 1.64 -2.01 0.41 -1.14 0.00 0.00 176.83 175.75 1nfx n THR 131 N -3.50 1.01 -0.06 -2.27 -1.04 0.52 -4.37 114.28 104.57 1nfx n THR 131 Ca -0.23 -0.46 -0.09 0.00 -2.04 0.00 0.00 64.05 61.24 1nfx n THR 131 Cb 1.06 -0.98 -0.08 0.00 -1.82 0.00 0.00 70.33 68.51 1nfx n THR 131 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1nfx h LEU 131 N 0.00 0.00 0.00 -4.42 4.07 -0.71 -3.35 115.31 110.90 1nfx h LEU 131 Ca -0.40 -0.62 0.00 0.00 0.08 0.00 0.00 57.88 56.94 1nfx h LEU 131 Cb 1.70 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.44 1nfx h LEU 131 CO -0.04 0.82 0.00 0.23 -1.08 0.00 0.00 178.44 178.37 1nfx n MET 131 N -4.67 0.42 -0.20 1.13 2.81 0.16 -1.99 117.12 114.78 1nfx n MET 131 Ca -0.06 0.06 0.10 0.00 -1.81 0.00 0.00 57.70 55.99 1nfx n MET 131 Cb 0.30 -1.50 0.21 0.00 -0.71 0.00 0.00 33.22 31.52 1nfx n MET 131 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1nfx n THR 132 N -1.16 0.62 -1.66 2.03 -2.24 -1.26 -4.94 114.28 105.68 1nfx n THR 132 Ca 0.12 -0.81 -0.30 0.00 -2.27 0.00 0.00 64.05 60.79 1nfx n THR 132 Cb 0.11 0.85 0.09 0.00 -2.10 0.00 0.00 70.33 69.28 1nfx n THR 132 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1nfx s GLN 133 N -1.26 2.12 0.03 -0.78 2.00 -0.84 -5.00 119.66 115.92 1nfx s GLN 133 Ca 0.36 0.50 -0.25 0.00 -2.00 0.00 0.00 55.36 53.96 1nfx s GLN 133 Cb 0.20 -1.93 -0.17 0.00 0.80 0.00 0.00 33.01 31.91 1nfx s GLN 133 CO 0.28 -1.56 1.39 0.87 -0.50 0.00 0.00 175.29 175.77 1nfx h LYS 134 N -1.04 -0.26 -5.22 1.67 1.57 -1.92 -3.42 116.57 107.94 1nfx h LYS 134 Ca -0.47 0.02 -0.46 0.00 -1.87 0.00 0.00 60.65 57.87 1nfx h LYS 134 Cb 1.28 0.06 -0.14 0.00 0.08 0.00 0.00 32.23 33.51 1nfx h LYS 134 CO 0.61 0.02 -0.62 0.95 -0.57 0.00 0.00 179.45 179.84 1nfx s THR 135 N -5.05 1.18 0.38 -0.16 -4.23 -1.26 -1.45 115.64 105.05 1nfx s THR 135 Ca -0.15 -2.01 0.05 0.00 -1.18 0.00 0.00 61.69 58.40 1nfx s THR 135 Cb 0.03 -2.72 -0.03 0.00 1.34 0.00 0.00 72.50 71.13 1nfx s THR 135 CO 0.61 -0.06 0.19 -0.83 -0.54 0.00 0.00 174.62 173.99 1nfx s GLY 136 N -3.46 2.51 -0.06 3.99 0.00 -0.73 -4.73 107.32 104.85 1nfx s GLY 136 Ca 0.35 -1.53 0.02 0.00 0.00 0.00 0.00 44.72 43.56 1nfx s GLY 136 CO 0.14 -1.69 -0.11 -0.42 0.00 0.00 0.00 173.10 171.03 1nfx s ILE 137 N -3.31 1.02 0.09 0.90 1.01 0.16 -1.08 121.20 120.00 1nfx s ILE 137 Ca 0.30 -0.41 0.08 0.00 0.00 0.00 0.00 60.65 60.62 1nfx s ILE 137 Cb 0.02 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.51 1nfx s ILE 137 CO 0.20 0.33 -0.18 0.54 0.00 0.00 0.00 174.94 175.83 1nfx s VAL 138 N 0.71 2.84 0.11 2.92 0.11 -0.38 -0.67 120.40 126.04 1nfx s VAL 138 Ca -0.14 -1.40 -0.12 0.00 -2.93 0.00 0.00 61.98 57.39 1nfx s VAL 138 Cb -0.16 -2.27 0.02 0.00 -1.53 0.00 0.00 36.38 32.44 1nfx s VAL 138 CO 0.03 0.17 0.29 -0.94 -3.33 0.00 0.00 175.10 171.33 1nfx s SER 139 N -1.92 -0.05 0.00 3.54 1.04 -1.12 -0.77 113.70 114.41 1nfx s SER 139 Ca 0.17 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.10 1nfx s SER 139 Cb -0.11 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1nfx s SER 139 CO 0.09 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.12 1nfx n GLY 140 N -0.15 -0.84 1.47 7.32 0.00 -0.37 -4.27 105.19 108.36 1nfx n GLY 140 Ca -0.15 -1.23 0.08 0.00 0.00 0.00 0.00 46.02 44.72 1nfx n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1nfx n PHE 141 N -0.72 1.51 -1.02 1.61 3.72 -1.26 -2.07 117.46 119.22 1nfx n PHE 141 Ca 0.00 -0.71 -0.30 0.00 -0.05 0.00 0.00 57.45 56.38 1nfx n PHE 141 Cb 0.00 -0.35 0.26 0.00 -0.94 0.00 0.00 39.48 38.45 1nfx n PHE 141 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1nfx s GLY 142 N -1.12 1.58 0.56 1.37 0.00 -1.26 -2.46 107.32 105.99 1nfx s GLY 142 Ca 0.48 -1.07 -0.20 0.00 0.00 0.00 0.00 44.72 43.93 1nfx s GLY 142 CO 0.17 -0.12 1.09 0.54 0.00 0.00 0.00 173.10 174.79 1nfx n ARG 143 N -4.94 1.20 0.01 2.90 1.74 0.40 -2.83 116.66 115.15 1nfx n ARG 143 Ca 0.15 0.45 0.11 0.00 -0.77 0.00 0.00 57.85 57.80 1nfx n ARG 143 Cb 0.60 -2.27 0.11 0.00 -1.02 0.00 0.00 32.46 29.88 1nfx n ARG 143 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1nfx n THR 144 N -1.33 0.08 -3.74 0.55 -2.24 -1.20 0.22 114.28 106.62 1nfx n THR 144 Ca 0.12 -0.10 -0.14 0.00 -2.27 0.00 0.00 64.05 61.67 1nfx n THR 144 Cb 0.45 0.33 -0.09 0.00 -2.10 0.00 0.00 70.33 68.93 1nfx n THR 144 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1nfx s HIS 145 N -3.07 -0.23 0.30 4.78 3.76 -1.26 -4.28 115.29 115.28 1nfx s HIS 145 Ca 0.08 0.37 0.05 0.00 -0.15 0.00 0.00 55.06 55.41 1nfx s HIS 145 Cb 0.16 0.12 0.76 0.00 1.11 0.00 0.00 32.58 34.73 1nfx s HIS 145 CO 0.76 -0.39 1.71 1.49 -0.85 0.00 0.00 174.74 177.46 1nfx h GLU 147 N 3.94 0.46 -0.14 1.40 4.81 -1.91 0.35 114.58 123.49 1nfx h GLU 147 Ca -0.29 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 1nfx h GLU 147 Cb 1.17 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1nfx h GLU 147 CO 0.39 0.31 0.00 1.63 -0.73 0.00 0.00 179.01 180.61 1nfx n LYS 148 N -4.98 1.88 -1.22 1.92 4.76 -1.26 -4.97 118.16 114.29 1nfx n LYS 148 Ca 0.23 -1.80 -0.30 0.00 -2.87 0.00 0.00 58.31 53.57 1nfx n LYS 148 Cb 0.66 -1.38 0.23 0.00 -1.84 0.00 0.00 35.03 32.70 1nfx n LYS 148 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1nfx s GLY 149 N -1.46 1.61 0.28 0.72 0.00 0.12 -5.07 107.32 103.52 1nfx s GLY 149 Ca 0.26 -0.94 0.05 0.00 0.00 0.00 0.00 44.72 44.08 1nfx s GLY 149 CO 0.24 -0.10 0.42 -1.60 0.00 0.00 0.00 173.10 172.07 1nfx s ARG 150 N -5.45 3.36 0.66 2.90 3.52 -1.26 -4.78 118.95 117.90 1nfx s ARG 150 Ca 0.71 -0.76 -0.17 0.00 -0.13 0.00 0.00 55.73 55.38 1nfx s ARG 150 Cb -0.09 -2.83 -0.02 0.00 -1.56 0.00 0.00 34.95 30.44 1nfx s ARG 150 CO 0.56 0.28 1.04 0.94 -0.81 0.00 0.00 175.30 177.31 1nfx n GLN 151 N -1.54 0.78 -3.12 5.12 -0.06 -1.26 -3.24 117.38 114.07 1nfx n GLN 151 Ca -0.06 0.32 -0.36 0.00 -2.00 0.00 0.00 57.00 54.89 1nfx n GLN 151 Cb 0.57 -2.27 -0.06 0.00 -4.06 0.00 0.00 30.24 24.42 1nfx n GLN 151 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1nfx s SER 152 N -1.43 7.06 0.00 1.69 0.15 -1.03 -4.87 113.70 115.27 1nfx s SER 152 Ca 0.77 1.40 0.24 0.00 0.70 0.00 0.00 55.95 59.06 1nfx s SER 152 Cb -0.38 -2.41 0.32 0.00 -1.71 0.00 0.00 66.02 61.84 1nfx s SER 152 CO 0.46 0.06 1.29 0.35 1.20 0.00 0.00 173.24 176.60 1nfx n THR 153 N 0.83 0.00 -4.90 6.45 -2.24 -1.26 -4.79 114.28 108.37 1nfx n THR 153 Ca -0.03 -0.08 -0.32 0.00 -2.27 0.00 0.00 64.05 61.34 1nfx n THR 153 Cb 0.51 0.63 -0.13 0.00 -2.10 0.00 0.00 70.33 69.24 1nfx n THR 153 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1nfx s ARG 154 N -2.77 2.42 0.02 -0.78 1.81 -1.26 -0.79 118.95 117.60 1nfx s ARG 154 Ca 0.15 -0.75 -0.30 0.00 -1.72 0.00 0.00 55.73 53.11 1nfx s ARG 154 Cb 0.18 -2.33 -0.05 0.00 -0.45 0.00 0.00 34.95 32.30 1nfx s ARG 154 CO 0.67 0.61 1.29 -1.17 -0.68 0.00 0.00 175.30 176.01 1nfx s LEU 155 N -0.81 4.33 0.28 2.53 2.96 -0.18 -4.70 118.68 123.08 1nfx s LEU 155 Ca 0.12 2.03 0.11 0.00 -0.22 0.00 0.00 54.13 56.17 1nfx s LEU 155 Cb -0.11 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.97 1nfx s LEU 155 CO 0.01 -0.60 -0.12 -0.54 -1.32 0.00 0.00 176.35 173.78 1nfx s LYS 156 N 1.82 1.93 0.05 1.98 1.02 -0.88 -0.91 119.74 124.75 1nfx s LYS 156 Ca 0.60 -1.64 0.00 0.00 0.02 0.00 0.00 55.97 54.96 1nfx s LYS 156 Cb -0.30 -1.92 -0.03 0.00 -0.52 0.00 0.00 37.83 35.06 1nfx s LYS 156 CO 0.26 0.33 -0.05 0.00 -0.92 0.00 0.00 175.35 174.98 1nfx s MET 157 N -3.58 0.55 -0.18 1.68 0.23 0.87 -1.23 119.30 117.63 1nfx s MET 157 Ca 0.31 -0.98 -0.13 0.00 -1.03 0.00 0.00 55.69 53.86 1nfx s MET 157 Cb -0.05 0.01 0.05 0.00 -1.53 0.00 0.00 34.83 33.31 1nfx s MET 157 CO 0.17 -0.05 0.46 -1.17 -2.03 0.00 0.00 175.02 172.40 1nfx s LEU 158 N -2.27 0.03 -0.29 0.18 2.96 0.05 -0.78 118.68 118.56 1nfx s LEU 158 Ca -0.02 0.95 -0.28 0.00 -0.22 0.00 0.00 54.13 54.57 1nfx s LEU 158 Cb -0.01 1.55 0.01 0.00 0.50 0.00 0.00 46.19 48.24 1nfx s LEU 158 CO -0.04 -0.18 1.00 -1.61 -1.32 0.00 0.00 176.35 174.20 1nfx s GLU 159 N 0.78 4.11 -0.20 1.98 2.02 -1.26 -1.25 118.70 124.88 1nfx s GLU 159 Ca -0.04 1.06 -0.00 0.00 0.02 0.00 0.00 54.97 56.01 1nfx s GLU 159 Cb -0.05 -3.70 0.02 0.00 0.10 0.00 0.00 34.13 30.49 1nfx s GLU 159 CO -0.06 -0.76 -0.15 0.14 0.02 0.00 0.00 175.26 174.45 1nfx s VAL 160 N 3.35 2.43 0.58 2.63 -7.23 -0.24 -4.93 120.40 116.99 1nfx s VAL 160 Ca 0.42 -0.89 -0.20 0.00 -1.81 0.00 0.00 61.98 59.50 1nfx s VAL 160 Cb -0.14 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 1nfx s VAL 160 CO 0.12 0.45 1.27 -2.84 -0.31 0.00 0.00 175.10 173.79 1nfx s PRO 161 N 1.32 2.97 0.40 4.82 0.02 -1.26 -1.77 135.00 141.50 1nfx s PRO 161 Ca 0.04 2.01 -0.25 0.00 0.02 0.00 0.00 61.00 62.82 1nfx s PRO 161 Cb -0.14 -2.04 -0.09 0.00 0.02 0.00 0.00 34.50 32.25 1nfx s PRO 161 CO -0.10 -1.26 1.11 0.71 -0.33 0.00 0.00 177.00 177.13 1nfx s TYR 162 N -1.44 3.18 -0.08 6.54 2.02 -0.53 -1.41 117.35 125.62 1nfx s TYR 162 Ca 0.76 1.60 0.02 0.00 -0.37 0.00 0.00 57.07 59.09 1nfx s TYR 162 Cb -0.35 -3.26 -0.02 0.00 -0.40 0.00 0.00 41.96 37.92 1nfx s TYR 162 CO 0.39 -0.97 -0.15 0.08 -1.57 0.00 0.00 175.55 173.34 1nfx s VAL 163 N -1.52 2.95 -0.13 0.71 1.01 -0.63 -4.86 120.40 117.94 1nfx s VAL 163 Ca 0.57 -0.74 -0.37 0.00 0.00 0.00 0.00 61.98 61.44 1nfx s VAL 163 Cb -0.27 -2.18 -0.14 0.00 0.00 0.00 0.00 36.38 33.79 1nfx s VAL 163 CO 0.33 0.56 1.71 -0.67 0.00 0.00 0.00 175.10 177.04 1nfx n ASP 164 N 2.83 2.65 -0.28 3.32 2.03 -1.26 -4.54 116.55 121.30 1nfx n ASP 164 Ca -0.18 1.05 0.10 0.00 0.52 0.00 0.00 54.79 56.29 1nfx n ASP 164 Cb 0.52 -1.24 0.25 0.00 -0.72 0.00 0.00 41.12 39.94 1nfx n ASP 164 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1nfx h ARG 165 N 7.30 0.33 0.07 -0.67 2.43 -1.97 -0.75 114.38 121.11 1nfx h ARG 165 Ca -0.47 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1nfx h ARG 165 Cb 1.30 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1nfx h ARG 165 CO 0.92 0.22 -0.03 -0.97 -1.51 0.00 0.00 179.97 178.60 1nfx h ASN 166 N 0.34 -0.08 -0.65 -3.80 -0.73 -1.99 -1.40 115.58 107.27 1nfx h ASN 166 Ca 0.50 -0.33 0.14 0.00 1.87 0.00 0.00 56.30 58.48 1nfx h ASN 166 Cb 0.91 0.02 -0.04 0.00 0.27 0.00 0.00 38.32 39.49 1nfx h ASN 166 CO -0.53 0.30 0.44 0.28 -0.37 0.00 0.00 177.43 177.55 1nfx h SER 167 N -0.46 0.27 -0.03 1.15 0.02 -1.77 -0.81 113.55 111.92 1nfx h SER 167 Ca -0.01 0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.81 1nfx h SER 167 Cb 0.40 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.91 1nfx h SER 167 CO 0.01 0.15 -0.55 0.00 -1.14 0.00 0.00 176.83 175.30 1nfx h LYS 169 N -0.05 1.09 -0.59 0.00 1.57 -0.47 -1.86 116.57 116.26 1nfx h LYS 169 Ca -0.06 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.55 1nfx h LYS 169 Cb 1.24 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 1nfx h LYS 169 CO 0.11 0.72 -0.02 -0.07 -0.57 0.00 0.00 179.45 179.62 1nfx h LEU 170 N 1.12 1.04 -0.92 2.94 3.38 -1.17 -3.17 115.31 118.53 1nfx h LEU 170 Ca 0.31 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1nfx h LEU 170 Cb -0.10 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.37 1nfx h LEU 170 CO -0.07 1.11 -0.12 0.77 0.09 0.00 0.00 178.44 180.21 1nfx h SER 171 N 0.95 0.00 -3.19 -0.43 4.64 -0.74 -3.46 113.55 111.33 1nfx h SER 171 Ca 0.16 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.90 1nfx h SER 171 Cb 0.59 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.63 1nfx h SER 171 CO 0.04 0.12 -0.08 -0.55 -0.87 0.00 0.00 176.83 175.49 1nfx s SER 172 N -6.04 6.99 0.00 4.97 0.15 -0.76 -4.81 113.70 114.20 1nfx s SER 172 Ca 0.02 1.18 0.29 0.00 0.70 0.00 0.00 55.95 58.14 1nfx s SER 172 Cb 0.08 -2.33 1.18 0.00 -1.71 0.00 0.00 66.02 63.25 1nfx s SER 172 CO 0.62 0.28 1.84 -1.20 1.20 0.00 0.00 173.24 175.98 1nfx n SER 173 N 1.68 0.36 -4.39 5.45 7.64 -1.26 -4.86 113.62 118.24 1nfx n SER 173 Ca -0.11 -0.35 -0.20 0.00 1.01 0.00 0.00 58.87 59.22 1nfx n SER 173 Cb 0.51 -0.12 -0.10 0.00 -1.01 0.00 0.00 64.21 63.49 1nfx n SER 173 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1nfx s PHE 174 N -2.61 1.82 0.15 1.43 0.08 -1.26 -5.12 117.98 112.48 1nfx s PHE 174 Ca 0.25 -0.70 -0.31 0.00 0.12 0.00 0.00 56.93 56.29 1nfx s PHE 174 Cb 0.20 -0.99 -0.10 0.00 -0.57 0.00 0.00 43.02 41.56 1nfx s PHE 174 CO 0.50 0.25 1.52 -1.50 -0.10 0.00 0.00 175.22 175.90 1nfx s ILE 175 N -3.06 2.78 -0.42 0.64 2.07 -1.26 -4.99 121.20 116.96 1nfx s ILE 175 Ca 0.27 0.57 -0.10 0.00 -1.41 0.00 0.00 60.65 59.98 1nfx s ILE 175 Cb 0.03 -3.36 0.08 0.00 0.13 0.00 0.00 42.46 39.33 1nfx s ILE 175 CO 0.10 0.04 0.27 -0.63 -1.91 0.00 0.00 174.94 172.82 1nfx s ILE 176 N 1.11 4.37 0.92 2.00 -1.09 -1.26 -5.03 121.20 122.22 1nfx s ILE 176 Ca 0.68 -1.33 -0.15 0.00 -2.23 0.00 0.00 60.65 57.63 1nfx s ILE 176 Cb -0.42 -3.66 0.17 0.00 -1.58 0.00 0.00 42.46 36.97 1nfx s ILE 176 CO 0.31 -0.50 1.28 0.42 -1.23 0.00 0.00 174.94 175.22 1nfx s THR 177 N 1.46 2.01 -1.63 2.92 -4.23 -1.26 -4.94 115.64 109.97 1nfx s THR 177 Ca 0.03 -0.03 0.20 0.00 -1.18 0.00 0.00 61.69 60.71 1nfx s THR 177 Cb -0.23 -2.98 0.42 0.00 1.34 0.00 0.00 72.50 71.05 1nfx s THR 177 CO 0.03 0.00 1.60 0.00 -0.54 0.00 0.00 174.62 175.71 1nfx n GLN 178 N -3.64 0.40 -0.45 3.99 0.00 -1.26 -2.35 117.38 114.08 1nfx n GLN 178 Ca 0.14 0.07 0.10 0.00 0.00 0.00 0.00 57.00 57.30 1nfx n GLN 178 Cb 0.60 -1.50 0.31 0.00 0.00 0.00 0.00 30.24 29.65 1nfx n GLN 178 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1nfx n ASN 179 N -1.18 4.17 -4.28 2.61 3.02 -1.26 -4.92 115.26 113.42 1nfx n ASN 179 Ca 0.11 -2.23 -0.15 0.00 -0.03 0.00 0.00 54.58 52.28 1nfx n ASN 179 Cb 0.12 -0.50 -0.10 0.00 -0.61 0.00 0.00 39.78 38.70 1nfx n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1nfx s MET 180 N -1.43 1.26 0.18 3.52 -1.94 -0.99 -0.43 119.30 119.47 1nfx s MET 180 Ca 0.46 -1.65 -0.17 0.00 -1.71 0.00 0.00 55.69 52.62 1nfx s MET 180 Cb 0.27 -0.23 0.03 0.00 2.01 0.00 0.00 34.83 36.91 1nfx s MET 180 CO 0.26 -0.23 0.48 -0.59 -0.01 0.00 0.00 175.02 174.94 1nfx s PHE 181 N -3.74 -0.12 0.19 -0.03 -0.12 -0.45 -4.71 117.98 109.01 1nfx s PHE 181 Ca 0.32 -0.22 0.11 0.00 -0.05 0.00 0.00 56.93 57.09 1nfx s PHE 181 Cb 0.07 0.34 -0.04 0.00 -0.63 0.00 0.00 43.02 42.76 1nfx s PHE 181 CO 0.09 -0.86 -0.20 0.00 -0.05 0.00 0.00 175.22 174.21 1nfx s ALA 183 N -1.65 -1.72 0.00 0.00 0.00 -0.66 -1.60 121.76 116.14 1nfx s ALA 183 Ca 0.22 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.22 1nfx s ALA 183 Cb -0.08 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.33 1nfx s ALA 183 CO 0.11 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.78 1nfx n GLY 184 N 0.48 0.77 3.28 0.00 0.00 -0.50 -0.85 105.19 108.37 1nfx n GLY 184 Ca -0.18 -1.84 -0.25 0.00 0.00 0.00 0.00 46.02 43.75 1nfx n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nfx s TYR 185 N -2.71 1.85 -0.01 1.61 2.02 -1.26 -4.16 117.35 114.69 1nfx s TYR 185 Ca 0.00 -0.40 -0.23 0.00 -0.37 0.00 0.00 57.07 56.07 1nfx s TYR 185 Cb 0.00 -1.05 -0.15 0.00 -0.40 0.00 0.00 41.96 40.35 1nfx s TYR 185 CO 0.00 0.17 1.08 0.22 -1.57 0.00 0.00 175.55 175.45 1nfx h ASP 185 N 4.42 -0.39 0.00 2.29 3.58 -1.91 -3.42 116.42 120.99 1nfx h ASP 185 Ca -0.45 -0.16 -0.08 0.00 0.42 0.00 0.00 57.03 56.75 1nfx h ASP 185 Cb 1.17 0.10 -0.02 0.00 1.72 0.00 0.00 39.33 42.30 1nfx h ASP 185 CO 0.41 0.02 -1.32 0.35 -2.88 0.00 0.00 179.24 175.83 1nfx n THR 185 N -5.13 0.32 -1.63 2.25 -2.24 -1.26 0.22 114.28 106.81 1nfx n THR 185 Ca -0.09 -0.19 -0.43 0.00 -2.27 0.00 0.00 64.05 61.06 1nfx n THR 185 Cb 0.27 -0.87 -0.01 0.00 -2.10 0.00 0.00 70.33 67.62 1nfx n THR 185 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1nfx n LYS 186 N -2.19 1.61 -1.57 -0.78 4.81 -1.26 -4.75 118.16 114.02 1nfx n LYS 186 Ca -0.08 0.57 -0.40 0.00 -0.87 0.00 0.00 58.31 57.53 1nfx n LYS 186 Cb 0.65 -2.04 -0.02 0.00 0.02 0.00 0.00 35.03 33.64 1nfx n LYS 186 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1nfx n GLN 187 N 0.56 3.58 -3.75 1.64 1.13 -1.26 -4.74 117.38 114.55 1nfx n GLN 187 Ca 0.08 -2.55 -0.13 0.00 -1.94 0.00 0.00 57.00 52.46 1nfx n GLN 187 Cb 0.35 -2.92 -0.14 0.00 0.11 0.00 0.00 30.24 27.64 1nfx n GLN 187 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1nfx s GLU 188 N 1.92 0.15 0.00 -1.09 2.02 -1.26 -3.98 118.70 116.46 1nfx s GLU 188 Ca 0.60 0.42 0.00 0.00 0.02 0.00 0.00 54.97 56.01 1nfx s GLU 188 Cb 0.16 -0.12 0.00 0.00 0.10 0.00 0.00 34.13 34.27 1nfx s GLU 188 CO -0.07 -0.15 0.00 -3.47 0.02 0.00 0.00 175.26 171.59 1nfx n ASP 189 N 4.07 0.00 -3.28 -0.19 2.03 -1.01 -4.27 116.55 113.90 1nfx n ASP 189 Ca -0.24 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 54.87 1nfx n ASP 189 Cb 0.53 0.00 0.14 0.00 -0.72 0.00 0.00 41.12 41.07 1nfx n ASP 189 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nfx n ALA 190 N -0.09 -1.15 -3.33 -1.67 0.00 -1.26 0.07 120.51 113.07 1nfx n ALA 190 Ca 0.00 -1.17 0.02 0.00 0.00 0.00 0.00 53.44 52.29 1nfx n ALA 190 Cb 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 19.45 19.40 1nfx n ALA 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nfx n GLN 192 N -0.25 2.56 0.00 0.00 7.27 -1.26 -2.30 117.38 123.40 1nfx n GLN 192 Ca -0.02 0.92 0.00 0.00 0.07 0.00 0.00 57.00 57.97 1nfx n GLN 192 Cb 0.23 -2.70 0.00 0.00 2.41 0.00 0.00 30.24 30.18 1nfx n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1nfx n GLY 193 N 2.93 3.10 0.03 1.69 0.00 -1.26 -0.46 105.19 111.22 1nfx n GLY 193 Ca 0.13 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1nfx n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nfx n ASP 194 N 0.00 0.57 -4.64 1.61 8.00 -0.97 -3.85 116.55 117.27 1nfx n ASP 194 Ca 0.00 -0.06 -0.42 0.00 0.71 0.00 0.00 54.79 55.02 1nfx n ASP 194 Cb 0.00 0.22 0.01 0.00 -0.02 0.00 0.00 41.12 41.33 1nfx n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1nfx n SER 195 N -1.79 1.75 0.00 -2.24 7.64 -1.26 -1.09 113.62 116.64 1nfx n SER 195 Ca 0.04 1.08 0.00 0.00 1.01 0.00 0.00 58.87 61.00 1nfx n SER 195 Cb 0.39 -1.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 1nfx n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nfx n GLY 196 N 1.05 2.86 3.57 0.23 0.00 0.46 0.65 105.19 114.02 1nfx n GLY 196 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1nfx n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nfx s GLY 197 N -1.64 1.55 0.18 -0.02 0.00 -0.25 -2.87 107.32 104.27 1nfx s GLY 197 Ca 0.00 -0.64 -0.28 0.00 0.00 0.00 0.00 44.72 43.80 1nfx s GLY 197 CO 0.00 0.15 0.89 2.56 0.00 0.00 0.00 173.10 176.70 1nfx s PRO 198 N -5.09 4.73 -0.20 2.90 0.04 -1.26 -1.66 135.00 134.46 1nfx s PRO 198 Ca 0.68 1.37 0.01 0.00 0.04 0.00 0.00 61.00 63.10 1nfx s PRO 198 Cb -0.15 -3.30 0.04 0.00 0.04 0.00 0.00 34.50 31.13 1nfx s PRO 198 CO 0.58 0.46 -0.13 -1.58 0.04 0.00 0.00 177.00 176.37 1nfx s HIS 199 N -0.86 2.63 0.17 0.56 2.46 -0.95 -2.80 115.29 116.51 1nfx s HIS 199 Ca 0.41 -1.71 0.07 0.00 0.47 0.00 0.00 55.06 54.29 1nfx s HIS 199 Cb -0.24 -1.75 -0.04 0.00 -0.13 0.00 0.00 32.58 30.41 1nfx s HIS 199 CO 0.29 -0.78 -0.14 0.14 -2.47 0.00 0.00 174.74 171.79 1nfx s VAL 200 N 1.33 1.54 -0.04 0.89 -7.23 0.16 -1.25 120.40 115.79 1nfx s VAL 200 Ca -0.01 -2.02 0.05 0.00 -1.81 0.00 0.00 61.98 58.19 1nfx s VAL 200 Cb -0.16 -1.85 -0.01 0.00 0.56 0.00 0.00 36.38 34.92 1nfx s VAL 200 CO -0.09 -0.54 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.08 1nfx s THR 201 N -2.71 1.56 -0.11 5.32 2.01 -0.22 0.39 115.64 121.89 1nfx s THR 201 Ca 0.17 -0.80 -0.16 0.00 0.31 0.00 0.00 61.69 61.22 1nfx s THR 201 Cb -0.02 -1.33 -0.05 0.00 0.01 0.00 0.00 72.50 71.11 1nfx s THR 201 CO 0.05 0.45 0.39 -0.60 -0.69 0.00 0.00 174.62 174.22 1nfx s ARG 202 N -0.05 4.21 -0.21 4.92 3.52 -1.26 -0.98 118.95 129.10 1nfx s ARG 202 Ca -0.03 0.31 -0.04 0.00 -0.13 0.00 0.00 55.73 55.84 1nfx s ARG 202 Cb -0.12 -3.38 0.07 0.00 -1.56 0.00 0.00 34.95 29.96 1nfx s ARG 202 CO 0.02 0.31 0.09 0.12 -0.81 0.00 0.00 175.30 175.03 1nfx s PHE 203 N 0.18 0.40 -1.30 5.12 5.36 0.82 -4.87 117.98 123.69 1nfx s PHE 203 Ca 0.22 -0.60 -0.05 0.00 -0.96 0.00 0.00 56.93 55.54 1nfx s PHE 203 Cb -0.15 -0.84 0.01 0.00 -0.34 0.00 0.00 43.02 41.71 1nfx s PHE 203 CO 0.09 -0.63 1.06 1.63 -1.46 0.00 0.00 175.22 175.91 1nfx n LYS 204 N 5.22 -7.04 -1.18 10.12 5.02 -1.26 -2.60 118.16 126.44 1nfx n LYS 204 Ca -0.07 0.81 -0.06 0.00 -2.02 0.00 0.00 58.31 56.97 1nfx n LYS 204 Cb 0.47 -5.80 -0.03 0.00 -0.02 0.00 0.00 35.03 29.65 1nfx n LYS 204 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1nfx n ASP 205 N -3.06 -4.03 -4.08 4.39 8.00 -1.26 -5.02 116.55 111.49 1nfx n ASP 205 Ca -0.14 0.15 -0.24 0.00 0.71 0.00 0.00 54.79 55.28 1nfx n ASP 205 Cb 0.61 -2.08 -0.16 0.00 -0.02 0.00 0.00 41.12 39.47 1nfx n ASP 205 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1nfx s THR 206 N -2.14 1.21 -0.18 -3.53 2.01 -1.07 -5.14 115.64 106.80 1nfx s THR 206 Ca 0.00 -0.58 -0.08 0.00 0.31 0.00 0.00 61.69 61.34 1nfx s THR 206 Cb 0.00 -1.05 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 1nfx s THR 206 CO 0.00 0.36 0.08 -0.31 -0.69 0.00 0.00 174.62 174.06 1nfx s TYR 207 N 0.18 3.30 0.01 4.92 1.51 -1.26 -0.13 117.35 125.88 1nfx s TYR 207 Ca -0.05 0.16 0.07 0.00 -1.01 0.00 0.00 57.07 56.23 1nfx s TYR 207 Cb -0.11 -2.08 -0.03 0.00 -0.11 0.00 0.00 41.96 39.62 1nfx s TYR 207 CO 0.02 0.22 -0.21 -0.06 -1.11 0.00 0.00 175.55 174.41 1nfx s PHE 208 N 0.27 2.48 0.06 2.71 0.08 -0.15 -2.52 117.98 120.92 1nfx s PHE 208 Ca 0.05 -0.31 -0.31 0.00 0.12 0.00 0.00 56.93 56.48 1nfx s PHE 208 Cb -0.12 -1.49 -0.07 0.00 -0.57 0.00 0.00 43.02 40.77 1nfx s PHE 208 CO -0.00 0.14 1.48 0.08 -0.10 0.00 0.00 175.22 176.82 1nfx s VAL 209 N -0.78 3.36 0.00 -0.44 1.01 0.48 -1.05 120.40 122.98 1nfx s VAL 209 Ca 0.12 0.85 0.00 0.00 0.00 0.00 0.00 61.98 62.95 1nfx s VAL 209 Cb -0.10 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.73 1nfx s VAL 209 CO 0.02 0.02 0.00 0.35 0.00 0.00 0.00 175.10 175.49 1nfx n THR 210 N 4.48 0.00 -3.82 3.92 -2.24 -0.38 -4.52 114.28 111.72 1nfx n THR 210 Ca 0.14 -0.26 -0.05 0.00 -2.27 0.00 0.00 64.05 61.60 1nfx n THR 210 Cb 0.42 0.85 -0.02 0.00 -2.10 0.00 0.00 70.33 69.48 1nfx n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1nfx s GLY 211 N -0.85 -0.14 -0.13 3.38 0.00 -0.83 -3.49 107.32 105.26 1nfx s GLY 211 Ca 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 44.72 44.59 1nfx s GLY 211 CO 0.00 -0.04 -0.11 -0.42 0.00 0.00 0.00 173.10 172.53 1nfx s ILE 212 N -3.61 1.32 -0.26 0.90 1.01 -1.17 -2.23 121.20 117.16 1nfx s ILE 212 Ca 0.12 -0.48 -0.39 0.00 0.00 0.00 0.00 60.65 59.90 1nfx s ILE 212 Cb -0.04 -1.28 -0.15 0.00 0.01 0.00 0.00 42.46 41.00 1nfx s ILE 212 CO 0.05 0.41 1.79 0.52 0.00 0.00 0.00 174.94 177.71 1nfx n VAL 213 N 4.85 0.35 0.00 2.92 0.31 -0.66 -1.74 118.33 124.36 1nfx n VAL 213 Ca -0.15 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 1nfx n VAL 213 Cb 0.50 -1.34 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 1nfx n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1nfx n SER 214 N 5.81 0.00 -2.72 4.52 2.88 -0.92 -0.40 113.62 122.78 1nfx n SER 214 Ca 0.27 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.72 1nfx n SER 214 Cb 0.16 -0.18 0.03 0.00 -0.75 0.00 0.00 64.21 63.47 1nfx n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1nfx n TRP 215 N -2.47 -2.33 -3.66 0.66 4.27 -0.43 -4.87 117.44 108.61 1nfx n TRP 215 Ca 0.00 -1.80 -0.01 0.00 -3.89 0.00 0.00 57.50 51.80 1nfx n TRP 215 Cb 0.00 0.90 -0.01 0.00 -1.36 0.00 0.00 31.31 30.84 1nfx n TRP 215 CO 0.00 0.00 0.00 0.20 -2.29 0.00 0.00 177.69 175.60 1nfx s GLY 216 N -3.00 -0.35 -0.70 -1.67 0.00 -1.26 0.15 107.32 100.49 1nfx s GLY 216 Ca 0.15 0.59 -0.16 0.00 0.00 0.00 0.00 44.72 45.31 1nfx s GLY 216 CO 0.12 0.12 0.70 -0.54 0.00 0.00 0.00 173.10 173.50 1nfx s GLU 217 N -2.73 3.30 2.88 2.90 2.02 -1.26 -4.92 118.70 120.89 1nfx s GLU 217 Ca 0.13 -1.94 0.00 0.00 0.02 0.00 0.00 54.97 53.18 1nfx s GLU 217 Cb 0.02 -4.40 0.00 0.00 0.10 0.00 0.00 34.13 29.85 1nfx s GLU 217 CO -0.02 -1.40 0.00 0.41 0.02 0.00 0.00 175.26 174.27 1nfx n GLY 218 N 4.78 -0.51 2.79 -1.39 0.00 -1.26 -4.65 105.19 104.95 1nfx n GLY 218 Ca 0.01 -1.12 -0.17 0.00 0.00 0.00 0.00 46.02 44.75 1nfx n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nfx n ALA 221 N 4.88 -0.25 -1.76 0.00 0.00 -1.26 -4.67 120.51 117.45 1nfx n ALA 221 Ca -0.13 0.27 -0.38 0.00 0.00 0.00 0.00 53.44 53.20 1nfx n ALA 221 Cb 0.50 -1.88 0.02 0.00 0.00 0.00 0.00 19.45 18.08 1nfx n ALA 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1nfx s ARG 222 N -3.40 3.55 0.27 0.00 0.52 -1.26 -4.75 118.95 113.88 1nfx s ARG 222 Ca 0.00 2.14 -0.30 0.00 -0.52 0.00 0.00 55.73 57.05 1nfx s ARG 222 Cb 0.00 -2.46 -0.10 0.00 0.52 0.00 0.00 34.95 32.91 1nfx s ARG 222 CO 0.00 -0.83 1.41 0.15 0.02 0.00 0.00 175.30 176.05 1nfx s LYS 223 N -2.64 4.28 0.00 3.54 3.01 -1.26 -2.24 119.74 124.43 1nfx s LYS 223 Ca 0.65 2.28 0.00 0.00 -1.01 0.00 0.00 55.97 57.89 1nfx s LYS 223 Cb -0.38 -3.10 0.00 0.00 -1.01 0.00 0.00 37.83 33.34 1nfx s LYS 223 CO 0.46 -0.37 0.00 0.41 0.51 0.00 0.00 175.35 176.36 1nfx n GLY 223 N 1.87 0.40 3.22 -3.33 0.00 0.13 -4.99 105.19 102.50 1nfx n GLY 223 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 1nfx n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nfx s LYS 224 N -0.43 1.18 0.44 1.61 -0.14 -0.95 -4.76 119.74 116.69 1nfx s LYS 224 Ca 0.00 -0.92 0.06 0.00 -1.36 0.00 0.00 55.97 53.74 1nfx s LYS 224 Cb 0.00 -1.28 -0.06 0.00 -1.68 0.00 0.00 37.83 34.81 1nfx s LYS 224 CO 0.00 0.32 0.04 0.71 -0.76 0.00 0.00 175.35 175.66 1nfx s TYR 225 N -0.90 2.35 -0.02 3.18 2.02 -1.26 -4.63 117.35 118.09 1nfx s TYR 225 Ca 0.05 -0.73 -0.18 0.00 -0.37 0.00 0.00 57.07 55.84 1nfx s TYR 225 Cb -0.09 -1.77 -0.05 0.00 -0.40 0.00 0.00 41.96 39.65 1nfx s TYR 225 CO 0.02 0.33 0.51 0.20 -1.57 0.00 0.00 175.55 175.04 1nfx s GLY 226 N -3.80 2.53 -0.18 0.71 0.00 -0.03 -4.54 107.32 102.01 1nfx s GLY 226 Ca 0.29 -0.09 -0.05 0.00 0.00 0.00 0.00 44.72 44.86 1nfx s GLY 226 CO 0.15 0.57 0.01 -0.42 0.00 0.00 0.00 173.10 173.41 1nfx s ILE 227 N -0.30 4.20 0.13 0.90 -1.09 0.12 -1.65 121.20 123.51 1nfx s ILE 227 Ca 0.27 -0.24 0.11 0.00 -2.23 0.00 0.00 60.65 58.56 1nfx s ILE 227 Cb -0.17 -2.88 -0.04 0.00 -1.58 0.00 0.00 42.46 37.79 1nfx s ILE 227 CO 0.15 0.46 -0.26 -0.31 -1.23 0.00 0.00 174.94 173.75 1nfx s TYR 228 N 0.56 2.25 0.22 3.97 1.51 -0.17 -1.31 117.35 124.38 1nfx s TYR 228 Ca -0.00 -0.38 -0.30 0.00 -1.01 0.00 0.00 57.07 55.37 1nfx s TYR 228 Cb -0.14 -1.21 -0.09 0.00 -0.11 0.00 0.00 41.96 40.41 1nfx s TYR 228 CO 0.02 0.33 1.26 0.99 -1.11 0.00 0.00 175.55 177.05 1nfx s THR 229 N -1.12 3.25 -0.90 -0.71 2.01 -0.71 -1.33 115.64 116.12 1nfx s THR 229 Ca 0.14 1.08 -0.24 0.00 0.31 0.00 0.00 61.69 62.98 1nfx s THR 229 Cb -0.10 -3.69 0.05 0.00 0.01 0.00 0.00 72.50 68.77 1nfx s THR 229 CO 0.06 0.19 1.35 -0.75 -0.69 0.00 0.00 174.62 174.78 1nfx s LYS 230 N -0.54 3.43 0.25 4.92 2.20 0.43 -3.05 119.74 127.38 1nfx s LYS 230 Ca 0.53 -0.83 -0.04 0.00 -0.36 0.00 0.00 55.97 55.27 1nfx s LYS 230 Cb -0.36 -4.87 0.36 0.00 -1.51 0.00 0.00 37.83 31.45 1nfx s LYS 230 CO 0.40 -2.15 1.88 0.28 -0.36 0.00 0.00 175.35 175.40 1nfx h VAL 231 N 6.44 1.10 -0.05 4.02 2.07 -1.88 -1.30 116.25 126.66 1nfx h VAL 231 Ca 0.01 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.15 1nfx h VAL 231 Cb 1.03 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1nfx h VAL 231 CO 1.35 0.21 0.19 0.71 0.02 0.00 0.00 177.57 180.05 1nfx h THR 232 N 1.14 0.12 -0.00 2.57 1.35 -1.89 0.42 112.91 116.61 1nfx h THR 232 Ca 0.40 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.26 1nfx h THR 232 Cb 0.12 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 67.36 1nfx h THR 232 CO -0.16 0.00 -0.18 0.00 -0.25 0.00 0.00 175.52 174.93 1nfx n ALA 233 N -2.07 2.87 -1.04 6.62 0.00 -0.49 -4.01 120.51 122.40 1nfx n ALA 233 Ca -0.01 -0.27 0.06 0.00 0.00 0.00 0.00 53.44 53.22 1nfx n ALA 233 Cb 0.27 -1.30 0.08 0.00 0.00 0.00 0.00 19.45 18.50 1nfx n ALA 233 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1nfx n PHE 234 N -1.12 0.00 -0.28 0.00 3.72 0.14 -4.82 117.46 115.10 1nfx n PHE 234 Ca 0.11 -0.68 -0.01 0.00 -0.05 0.00 0.00 57.45 56.83 1nfx n PHE 234 Cb 0.31 -0.11 0.19 0.00 -0.94 0.00 0.00 39.48 38.93 1nfx n PHE 234 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1nfx h LEU 235 N 0.00 0.98 -0.64 4.37 3.38 -1.66 0.22 115.31 121.97 1nfx h LEU 235 Ca 0.00 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 1nfx h LEU 235 Cb 0.98 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1nfx h LEU 235 CO 0.00 0.72 -0.56 0.11 0.09 0.00 0.00 178.44 178.80 1nfx h LYS 236 N 1.15 0.36 -0.27 1.13 1.79 -1.90 -1.02 116.57 117.81 1nfx h LYS 236 Ca 0.31 -0.23 -0.06 0.00 -2.18 0.00 0.00 60.65 58.49 1nfx h LYS 236 Cb -0.12 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.55 1nfx h LYS 236 CO -0.07 0.82 -0.06 2.35 -1.08 0.00 0.00 179.45 181.42 1nfx h TRP 237 N 0.27 0.59 -0.54 -1.35 7.01 -1.65 -2.14 115.95 118.14 1nfx h TRP 237 Ca 0.00 -0.12 -0.01 0.00 2.11 0.00 0.00 58.89 60.87 1nfx h TRP 237 Cb 1.07 -0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 27.96 1nfx h TRP 237 CO 0.03 0.72 0.30 0.82 -2.79 0.00 0.00 178.44 177.53 1nfx h ILE 238 N 0.28 1.18 -0.70 2.65 2.04 -0.46 -1.45 117.51 121.05 1nfx h ILE 238 Ca 0.07 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1nfx h ILE 238 Cb 0.53 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 1nfx h ILE 238 CO 0.03 0.19 0.39 0.44 0.00 0.00 0.00 178.15 179.19 1nfx h ASP 239 N 0.73 0.86 -0.23 1.72 3.32 -1.10 -1.58 116.42 120.14 1nfx h ASP 239 Ca 0.19 -0.06 -0.20 0.00 0.02 0.00 0.00 57.03 56.98 1nfx h ASP 239 Cb 0.03 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.37 1nfx h ASP 239 CO -0.03 0.69 -0.62 0.03 -1.72 0.00 0.00 179.24 177.59 1nfx h ARG 240 N 0.97 0.84 -0.12 3.56 3.08 -1.08 -3.13 114.38 118.51 1nfx h ARG 240 Ca 0.25 -0.57 -0.05 0.00 0.07 0.00 0.00 59.98 59.67 1nfx h ARG 240 Cb 0.02 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1nfx h ARG 240 CO -0.04 1.20 -0.18 0.77 -1.07 0.00 0.00 179.97 180.65 1nfx h SER 241 N 0.62 0.18 -0.02 7.04 0.02 -0.86 -2.19 113.55 118.35 1nfx h SER 241 Ca -0.01 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1nfx h SER 241 Cb 1.23 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1nfx h SER 241 CO 0.13 0.38 0.00 0.23 -1.14 0.00 0.00 176.83 176.43 1nfx n MET 242 N -4.25 1.10 -2.76 3.45 2.81 -0.63 -3.08 117.12 113.77 1nfx n MET 242 Ca -0.01 -0.09 -0.04 0.00 -1.81 0.00 0.00 57.70 55.75 1nfx n MET 242 Cb 0.29 -1.38 0.05 0.00 -0.71 0.00 0.00 33.22 31.47 1nfx n MET 242 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1nfx n LYS 243 N -0.10 1.47 0.00 0.03 5.02 -0.82 -5.07 118.16 118.69 1nfx n LYS 243 Ca 0.01 -3.13 0.00 0.00 -2.02 0.00 0.00 58.31 53.17 1nfx n LYS 243 Cb 0.21 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 1nfx n LYS 243 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13