#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nfy s VAL 17 N 0.00 5.14 0.00 1.39 1.01 0.11 -4.03 120.40 124.02 1nfy s VAL 17 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 61.98 62.74 1nfy s VAL 17 Cb 0.00 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1nfy s VAL 17 CO 0.00 0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.88 1nfy n GLY 18 N 4.27 0.15 7.00 4.51 0.00 -1.26 -2.19 105.19 117.67 1nfy n GLY 18 Ca -0.07 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1nfy n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nfy n GLY 19 N 0.00 -0.19 3.27 -0.02 0.00 -1.26 -4.90 105.19 102.08 1nfy n GLY 19 Ca 0.00 -1.04 -0.15 0.00 0.00 0.00 0.00 46.02 44.83 1nfy n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nfy s GLN 20 N 0.00 1.32 0.29 1.61 -1.52 0.03 -4.97 119.66 116.41 1nfy s GLN 20 Ca 0.00 -1.71 -0.29 0.00 -1.95 0.00 0.00 55.36 51.41 1nfy s GLN 20 Cb 0.00 -0.02 -0.09 0.00 -0.22 0.00 0.00 33.01 32.67 1nfy s GLN 20 CO 0.00 -0.34 1.08 -1.21 -0.25 0.00 0.00 175.29 174.57 1nfy s GLU 21 N -4.08 4.62 -0.08 2.91 2.02 -1.26 0.21 118.70 123.04 1nfy s GLU 21 Ca 0.38 1.75 -0.30 0.00 0.02 0.00 0.00 54.97 56.82 1nfy s GLU 21 Cb 0.07 -3.14 -0.03 0.00 0.10 0.00 0.00 34.13 31.13 1nfy s GLU 21 CO 0.13 0.22 1.27 0.00 0.02 0.00 0.00 175.26 176.89 1nfy s LYS 23 N 2.73 2.60 -0.39 0.00 -0.14 -1.26 -4.88 119.74 118.40 1nfy s LYS 23 Ca 0.57 0.43 -0.43 0.00 -1.36 0.00 0.00 55.97 55.18 1nfy s LYS 23 Cb -0.25 -1.99 -0.18 0.00 -1.68 0.00 0.00 37.83 33.73 1nfy s LYS 23 CO 0.20 -1.21 1.70 -3.47 -0.76 0.00 0.00 175.35 171.81 1nfy n ASP 24 N -3.12 1.83 0.00 2.83 2.03 -1.26 -0.60 116.55 118.26 1nfy n ASP 24 Ca 0.07 1.11 0.00 0.00 0.52 0.00 0.00 54.79 56.49 1nfy n ASP 24 Cb 0.58 -1.02 0.00 0.00 -0.72 0.00 0.00 41.12 39.96 1nfy n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nfy n GLY 25 N 4.21 0.40 0.09 0.27 0.00 -1.26 -4.92 105.19 103.98 1nfy n GLY 25 Ca 0.29 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.20 1nfy n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1nfy h GLU 26 N 0.92 0.15 -2.14 1.61 5.08 -1.19 -3.38 114.58 115.62 1nfy h GLU 26 Ca 0.00 -0.24 -0.54 0.00 -1.00 0.00 0.00 59.36 57.58 1nfy h GLU 26 Cb 0.27 0.09 -0.41 0.00 0.50 0.00 0.00 28.75 29.20 1nfy h GLU 26 CO 0.00 1.11 -0.89 0.00 -1.00 0.00 0.00 179.01 178.23 1nfy h PRO 28 N 2.98 0.00 -0.06 0.00 0.13 -1.80 -2.67 132.00 130.59 1nfy h PRO 28 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1nfy h PRO 28 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1nfy h PRO 28 CO 0.68 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.78 1nfy n TRP 29 N -2.90 0.06 -2.45 1.56 2.14 -0.98 -1.98 117.44 112.89 1nfy n TRP 29 Ca -0.01 -0.03 -0.42 0.00 2.07 0.00 0.00 57.50 59.11 1nfy n TRP 29 Cb 0.18 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.65 1nfy n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1nfy s GLN 30 N -1.94 4.44 0.17 -2.67 2.00 -1.01 -0.40 119.66 120.25 1nfy s GLN 30 Ca 0.37 1.73 0.11 0.00 -2.00 0.00 0.00 55.36 55.57 1nfy s GLN 30 Cb 0.19 -3.37 -0.04 0.00 0.80 0.00 0.00 33.01 30.59 1nfy s GLN 30 CO 0.31 -0.25 -0.25 0.00 -0.50 0.00 0.00 175.29 174.60 1nfy s ALA 31 N 1.14 2.44 -0.10 1.58 0.00 -0.39 -4.31 121.76 122.12 1nfy s ALA 31 Ca 0.58 -1.57 0.01 0.00 0.00 0.00 0.00 51.96 50.97 1nfy s ALA 31 Cb -0.28 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.52 1nfy s ALA 31 CO 0.29 0.45 -0.10 -1.17 0.00 0.00 0.00 175.76 175.23 1nfy s LEU 32 N -2.45 1.38 -0.10 0.00 2.96 -0.06 -1.58 118.68 118.82 1nfy s LEU 32 Ca 0.18 -0.32 -0.26 0.00 -0.22 0.00 0.00 54.13 53.51 1nfy s LEU 32 Cb -0.09 -0.87 -0.02 0.00 0.50 0.00 0.00 46.19 45.72 1nfy s LEU 32 CO 0.08 -0.06 0.84 -0.76 -1.32 0.00 0.00 176.35 175.13 1nfy s LEU 33 N 1.35 4.26 0.02 -0.68 1.43 -0.46 -0.86 118.68 123.75 1nfy s LEU 33 Ca -0.01 1.31 0.08 0.00 -1.03 0.00 0.00 54.13 54.48 1nfy s LEU 33 Cb -0.14 -3.29 -0.02 0.00 0.03 0.00 0.00 46.19 42.77 1nfy s LEU 33 CO -0.05 -0.29 -0.25 0.27 0.23 0.00 0.00 176.35 176.27 1nfy s ILE 34 N 1.49 2.00 0.85 -0.59 -4.36 -0.53 -1.43 121.20 118.63 1nfy s ILE 34 Ca 0.42 -1.22 -0.07 0.00 -0.26 0.00 0.00 60.65 59.52 1nfy s ILE 34 Cb -0.18 -1.69 0.18 0.00 1.25 0.00 0.00 42.46 42.02 1nfy s ILE 34 CO 0.18 0.43 1.16 0.54 0.24 0.00 0.00 174.94 177.50 1nfy s ASN 35 N -0.93 3.60 0.60 4.36 2.20 -0.88 -1.36 114.94 122.53 1nfy s ASN 35 Ca 0.10 -0.25 0.28 0.00 -0.94 0.00 0.00 52.86 52.05 1nfy s ASN 35 Cb -0.10 0.12 1.36 0.00 -2.00 0.00 0.00 41.25 40.64 1nfy s ASN 35 CO 0.01 -2.38 1.77 1.05 -2.94 0.00 0.00 177.10 174.60 1nfy h GLU 36 N -1.09 0.00 -0.64 3.55 9.09 -1.92 0.50 114.58 124.07 1nfy h GLU 36 Ca -0.38 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.03 1nfy h GLU 36 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.34 1nfy h GLU 36 CO 0.34 0.00 0.00 0.39 0.05 0.00 0.00 179.01 179.79 1nfy n GLU 37 N -3.52 4.17 -3.14 1.06 -0.58 -1.26 -4.93 120.64 112.44 1nfy n GLU 37 Ca 0.10 -2.68 -0.23 0.00 -0.42 0.00 0.00 57.16 53.93 1nfy n GLU 37 Cb 0.81 -2.09 0.02 0.00 -0.57 0.00 0.00 31.44 29.62 1nfy n GLU 37 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1nfy n ASN 38 N 0.64 -5.27 -4.39 1.62 5.03 0.17 -4.99 115.26 108.08 1nfy n ASN 38 Ca 0.24 -0.32 -0.34 0.00 0.87 0.00 0.00 54.58 55.03 1nfy n ASN 38 Cb 1.01 -4.29 -0.14 0.00 -1.02 0.00 0.00 39.78 35.35 1nfy n ASN 38 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1nfy s GLU 39 N -5.81 3.46 0.40 3.52 2.56 -1.26 -4.85 118.70 116.73 1nfy s GLU 39 Ca 0.34 -0.62 -0.26 0.00 0.00 0.00 0.00 54.97 54.42 1nfy s GLU 39 Cb -0.16 -2.81 -0.09 0.00 2.00 0.00 0.00 34.13 33.07 1nfy s GLU 39 CO 0.41 0.11 1.32 0.20 -0.56 0.00 0.00 175.26 176.74 1nfy s GLY 40 N 0.65 2.93 0.00 -1.50 0.00 -1.26 -2.07 107.32 106.07 1nfy s GLY 40 Ca -0.05 1.26 0.00 0.00 0.00 0.00 0.00 44.72 45.93 1nfy s GLY 40 CO 0.02 1.85 0.01 1.97 0.00 0.00 0.00 173.10 176.96 1nfy n PHE 41 N 0.19 0.00 -3.61 1.90 1.16 -0.52 -4.94 117.46 111.63 1nfy n PHE 41 Ca 0.03 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.51 1nfy n PHE 41 Cb 0.43 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.28 1nfy n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1nfy n GLY 43 N -0.41 2.49 3.69 0.00 0.00 0.37 -1.35 105.19 109.97 1nfy n GLY 43 Ca -0.11 -2.24 -0.04 0.00 0.00 0.00 0.00 46.02 43.63 1nfy n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nfy s GLY 44 N -3.63 -0.30 -0.09 -0.02 0.00 -0.62 -3.48 107.32 99.19 1nfy s GLY 44 Ca 0.31 0.38 0.03 0.00 0.00 0.00 0.00 44.72 45.43 1nfy s GLY 44 CO 0.19 0.09 -0.16 -1.59 0.00 0.00 0.00 173.10 171.63 1nfy s THR 45 N -3.15 1.47 -0.05 0.90 2.01 0.62 -1.27 115.64 116.18 1nfy s THR 45 Ca 0.11 -0.66 -0.30 0.00 0.31 0.00 0.00 61.69 61.15 1nfy s THR 45 Cb -0.01 -1.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.14 1nfy s THR 45 CO -0.01 0.43 1.39 -0.63 -0.69 0.00 0.00 174.62 175.11 1nfy s ILE 46 N 0.66 3.87 -0.21 1.82 1.01 0.46 -0.30 121.20 128.51 1nfy s ILE 46 Ca -0.14 1.18 0.10 0.00 0.00 0.00 0.00 60.65 61.80 1nfy s ILE 46 Cb -0.16 -3.76 -0.20 0.00 0.01 0.00 0.00 42.46 38.35 1nfy s ILE 46 CO 0.04 -0.04 -0.05 0.18 0.00 0.00 0.00 174.94 175.07 1nfy n LEU 47 N 5.88 1.25 0.00 2.97 4.77 -0.01 -1.72 117.00 130.14 1nfy n LEU 47 Ca 0.14 -0.05 -0.05 0.00 -0.03 0.00 0.00 56.01 56.02 1nfy n LEU 47 Cb 0.44 -0.09 0.02 0.00 -2.33 0.00 0.00 43.42 41.46 1nfy n LEU 47 CO 0.58 0.65 0.44 -1.54 -1.33 0.00 0.00 177.39 176.19 1nfy n SER 48 N -2.91 -1.44 0.29 -1.43 3.41 -1.09 -4.67 113.62 105.78 1nfy n SER 48 Ca -0.36 -1.92 0.15 0.00 -0.26 0.00 0.00 58.87 56.49 1nfy n SER 48 Cb 1.04 2.38 0.88 0.00 -0.26 0.00 0.00 64.21 68.25 1nfy n SER 48 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1nfy h GLU 49 N 0.00 0.00 0.00 4.33 4.11 -1.98 -3.08 114.58 117.96 1nfy h GLU 49 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.22 1nfy h GLU 49 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1nfy h GLU 49 CO 0.28 0.05 -0.83 1.19 0.07 0.00 0.00 179.01 179.76 1nfy n PHE 50 N -3.64 0.00 -5.18 2.06 3.72 -1.26 -0.02 117.46 113.14 1nfy n PHE 50 Ca -0.02 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.06 1nfy n PHE 50 Cb 0.15 -0.09 -0.15 0.00 -0.94 0.00 0.00 39.48 38.45 1nfy n PHE 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1nfy s TYR 51 N -2.15 2.47 -0.07 1.38 2.02 -1.17 -0.67 117.35 119.17 1nfy s TYR 51 Ca 0.00 -0.46 0.05 0.00 -0.37 0.00 0.00 57.07 56.30 1nfy s TYR 51 Cb 0.06 -1.57 -0.01 0.00 -0.40 0.00 0.00 41.96 40.04 1nfy s TYR 51 CO 0.36 -0.04 -0.24 0.42 -1.57 0.00 0.00 175.55 174.48 1nfy s ILE 52 N -0.48 2.18 -0.19 2.71 -1.09 -0.28 -0.83 121.20 123.21 1nfy s ILE 52 Ca 0.06 -1.02 -0.10 0.00 -2.23 0.00 0.00 60.65 57.36 1nfy s ILE 52 Cb -0.11 -1.80 -0.05 0.00 -1.58 0.00 0.00 42.46 38.91 1nfy s ILE 52 CO 0.01 0.57 0.15 -0.22 -1.23 0.00 0.00 174.94 174.21 1nfy s LEU 53 N -0.12 4.22 0.00 2.97 2.96 0.59 -0.67 118.68 128.63 1nfy s LEU 53 Ca -0.05 0.27 0.00 0.00 -0.22 0.00 0.00 54.13 54.14 1nfy s LEU 53 Cb -0.14 -2.12 0.00 0.00 0.50 0.00 0.00 46.19 44.43 1nfy s LEU 53 CO 0.04 0.18 0.25 1.07 -1.32 0.00 0.00 176.35 176.58 1nfy n THR 54 N 3.45 0.00 -3.40 3.68 5.66 -0.32 -0.28 114.28 123.06 1nfy n THR 54 Ca -0.16 -1.10 -0.38 0.00 -3.05 0.00 0.00 64.05 59.37 1nfy n THR 54 Cb 0.52 0.64 -0.06 0.00 -1.55 0.00 0.00 70.33 69.88 1nfy n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1nfy s ALA 55 N -2.37 3.59 0.41 1.79 0.00 -1.26 -1.10 121.76 122.81 1nfy s ALA 55 Ca 0.18 -0.20 0.07 0.00 0.00 0.00 0.00 51.96 52.02 1nfy s ALA 55 Cb -0.00 -2.52 0.86 0.00 0.00 0.00 0.00 23.12 21.45 1nfy s ALA 55 CO 0.13 0.25 2.05 0.00 0.00 0.00 0.00 175.76 178.19 1nfy h ALA 56 N 5.65 1.72 0.00 0.00 0.00 -1.72 -1.64 119.26 123.27 1nfy h ALA 56 Ca -0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1nfy h ALA 56 Cb 1.20 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1nfy h ALA 56 CO 0.68 0.25 0.00 -2.39 0.00 0.00 0.00 179.25 177.79 1nfy n HIS 57 N -4.47 0.52 0.15 0.00 1.44 -1.26 -2.17 115.22 109.42 1nfy n HIS 57 Ca 0.04 0.21 0.03 0.00 -2.01 0.00 0.00 57.72 55.99 1nfy n HIS 57 Cb 0.08 -0.84 0.13 0.00 0.12 0.00 0.00 29.99 29.49 1nfy n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1nfy n LEU 59 N -3.32 0.00 -0.20 0.00 4.77 -0.92 -1.17 117.00 116.15 1nfy n LEU 59 Ca 0.01 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.02 1nfy n LEU 59 Cb 0.66 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.78 1nfy n LEU 59 CO 0.39 0.00 0.36 -1.22 -1.33 0.00 0.00 177.39 175.60 1nfy n TYR 60 N -0.74 0.03 0.35 -1.77 0.53 -1.17 -4.62 117.16 109.77 1nfy n TYR 60 Ca 0.05 -0.09 0.11 0.00 -1.02 0.00 0.00 57.90 56.96 1nfy n TYR 60 Cb 0.03 -0.01 0.25 0.00 -1.03 0.00 0.00 39.34 38.58 1nfy n TYR 60 CO 0.00 0.00 0.00 1.04 -1.02 0.00 0.00 176.86 176.88 1nfy n GLN 61 N 0.21 2.42 -3.64 -0.72 3.00 -0.32 -4.94 117.38 113.38 1nfy n GLN 61 Ca 0.03 -2.15 -0.06 0.00 -0.01 0.00 0.00 57.00 54.81 1nfy n GLN 61 Cb 0.15 -1.50 -0.07 0.00 0.00 0.00 0.00 30.24 28.83 1nfy n GLN 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1nfy s ALA 61 N -1.46 -2.09 0.08 -1.58 0.00 -1.26 -5.05 121.76 110.39 1nfy s ALA 61 Ca 0.39 2.01 -0.30 0.00 0.00 0.00 0.00 51.96 54.06 1nfy s ALA 61 Cb 0.22 -1.55 -0.14 0.00 0.00 0.00 0.00 23.12 21.65 1nfy s ALA 61 CO 0.31 -0.28 1.46 -0.22 0.00 0.00 0.00 175.76 177.03 1nfy h LYS 62 N 4.93 -0.74 -5.36 0.00 3.64 -1.92 -3.43 116.57 113.68 1nfy h LYS 62 Ca -0.28 0.05 -0.41 0.00 -1.27 0.00 0.00 60.65 58.74 1nfy h LYS 62 Cb 1.18 0.17 -0.20 0.00 -0.41 0.00 0.00 32.23 32.97 1nfy h LYS 62 CO 0.14 -0.49 -0.77 0.50 -2.27 0.00 0.00 179.45 176.56 1nfy s ARG 63 N -5.34 0.89 0.20 1.90 3.52 -1.26 -5.12 118.95 113.73 1nfy s ARG 63 Ca -0.14 -1.06 -0.17 0.00 -0.13 0.00 0.00 55.73 54.22 1nfy s ARG 63 Cb 0.04 -0.84 0.03 0.00 -1.56 0.00 0.00 34.95 32.61 1nfy s ARG 63 CO 0.50 0.18 0.51 -0.59 -0.81 0.00 0.00 175.30 175.09 1nfy s PHE 64 N -1.62 -0.09 0.40 5.12 -0.71 -1.26 -3.82 117.98 116.00 1nfy s PHE 64 Ca 0.02 -0.25 0.04 0.00 -1.04 0.00 0.00 56.93 55.69 1nfy s PHE 64 Cb -0.08 0.37 -0.03 0.00 -1.21 0.00 0.00 43.02 42.08 1nfy s PHE 64 CO 0.02 -0.91 0.12 0.15 -1.34 0.00 0.00 175.22 173.26 1nfy s LYS 65 N -3.88 1.91 -0.10 1.99 1.02 -0.47 -4.49 119.74 115.72 1nfy s LYS 65 Ca 0.10 -2.16 0.03 0.00 0.02 0.00 0.00 55.97 53.96 1nfy s LYS 65 Cb -0.01 -0.65 0.01 0.00 -0.52 0.00 0.00 37.83 36.66 1nfy s LYS 65 CO -0.02 -0.45 -0.18 0.08 -0.92 0.00 0.00 175.35 173.86 1nfy s VAL 66 N -3.22 1.63 -0.11 3.17 1.01 0.06 -1.46 120.40 121.48 1nfy s VAL 66 Ca 0.25 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 1nfy s VAL 66 Cb 0.03 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 1nfy s VAL 66 CO 0.14 0.46 -0.07 -0.60 0.00 0.00 0.00 175.10 175.04 1nfy s ARG 67 N 0.70 3.19 0.29 2.72 3.52 -0.04 0.10 118.95 129.43 1nfy s ARG 67 Ca -0.12 -0.56 0.08 0.00 -0.13 0.00 0.00 55.73 54.99 1nfy s ARG 67 Cb -0.16 -2.71 -0.06 0.00 -1.56 0.00 0.00 34.95 30.46 1nfy s ARG 67 CO 0.03 0.44 -0.08 0.14 -0.81 0.00 0.00 175.30 175.01 1nfy s VAL 68 N -0.19 1.86 -1.04 7.11 -7.23 -0.17 -0.88 120.40 119.87 1nfy s VAL 68 Ca 0.02 -2.17 0.00 0.00 -1.81 0.00 0.00 61.98 58.02 1nfy s VAL 68 Cb -0.13 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.34 1nfy s VAL 68 CO 0.03 -0.30 0.00 0.61 -0.31 0.00 0.00 175.10 175.13 1nfy n GLY 69 N -0.63 1.13 3.69 2.32 0.00 -1.21 -1.50 105.19 108.99 1nfy n GLY 69 Ca -0.05 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.09 1nfy n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nfy s ASP 70 N -2.84 5.54 0.00 1.61 2.15 -1.26 -3.37 116.67 118.49 1nfy s ASP 70 Ca 0.00 0.16 0.00 0.00 0.43 0.00 0.00 52.55 53.14 1nfy s ASP 70 Cb 0.00 -1.76 0.00 0.00 -0.30 0.00 0.00 42.92 40.86 1nfy s ASP 70 CO 0.00 0.30 0.00 0.54 -0.17 0.00 0.00 175.17 175.84 1nfy n ARG 71 N 2.65 2.38 -3.58 4.34 1.74 -1.26 -4.82 116.66 118.11 1nfy n ARG 71 Ca -0.18 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.61 1nfy n ARG 71 Cb 0.53 -0.80 -0.15 0.00 -1.02 0.00 0.00 32.46 31.02 1nfy n ARG 71 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1nfy s ASN 72 N -1.42 3.42 0.00 0.55 3.04 -1.26 -0.78 114.94 118.50 1nfy s ASN 72 Ca 0.00 -1.23 0.15 0.00 0.04 0.00 0.00 52.86 51.82 1nfy s ASN 72 Cb 0.00 -0.40 0.88 0.00 -1.54 0.00 0.00 41.25 40.18 1nfy s ASN 72 CO 0.00 -0.42 1.34 0.35 -3.04 0.00 0.00 177.10 175.33 1nfy n THR 73 N 5.20 0.10 0.99 -5.21 -2.24 0.22 -2.37 114.28 110.96 1nfy n THR 73 Ca -0.06 0.03 0.12 0.00 -2.27 0.00 0.00 64.05 61.87 1nfy n THR 73 Cb 0.43 -0.79 0.15 0.00 -2.10 0.00 0.00 70.33 68.03 1nfy n THR 73 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nfy n GLU 74 N -1.05 2.28 -2.72 -0.78 1.02 -1.26 -4.97 120.64 113.16 1nfy n GLU 74 Ca 0.11 -1.86 -0.06 0.00 -0.02 0.00 0.00 57.16 55.32 1nfy n GLU 74 Cb 0.06 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 29.99 1nfy n GLU 74 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1nfy n GLN 75 N 1.24 0.15 -3.56 3.49 6.02 -1.00 -5.12 117.38 118.59 1nfy n GLN 75 Ca 0.15 -1.11 -0.28 0.00 -0.01 0.00 0.00 57.00 55.74 1nfy n GLN 75 Cb 0.58 0.93 -0.12 0.00 1.02 0.00 0.00 30.24 32.65 1nfy n GLN 75 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1nfy s GLU 76 N -2.44 1.08 0.15 -1.09 2.12 -1.26 -4.91 118.70 112.34 1nfy s GLU 76 Ca 0.13 -1.97 -0.21 0.00 0.36 0.00 0.00 54.97 53.28 1nfy s GLU 76 Cb 0.01 -1.87 0.03 0.00 0.26 0.00 0.00 34.13 32.55 1nfy s GLU 76 CO 0.09 -1.25 1.66 1.49 -0.54 0.00 0.00 175.26 176.71 1nfy h GLU 77 N 6.36 -0.14 0.00 4.30 4.81 -1.93 -3.47 114.58 124.52 1nfy h GLU 77 Ca 0.11 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1nfy h GLU 77 Cb 0.92 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.33 1nfy h GLU 77 CO 0.41 -0.09 0.00 0.41 -0.73 0.00 0.00 179.01 179.01 1nfy n GLY 78 N -1.32 1.37 0.30 1.92 0.00 -1.26 -4.95 105.19 101.25 1nfy n GLY 78 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 1nfy n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nfy n GLY 79 N 0.00 -0.47 3.77 -0.02 0.00 -1.26 -4.93 105.19 102.28 1nfy n GLY 79 Ca 0.00 -0.46 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 1nfy n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nfy s GLU 80 N -2.49 3.98 -0.12 1.61 8.01 -1.22 -4.40 118.70 124.07 1nfy s GLU 80 Ca 0.23 1.73 -0.06 0.00 0.01 0.00 0.00 54.97 56.88 1nfy s GLU 80 Cb 0.19 -2.55 0.05 0.00 -4.31 0.00 0.00 34.13 27.51 1nfy s GLU 80 CO 0.53 -0.35 0.29 0.00 0.01 0.00 0.00 175.26 175.73 1nfy s ALA 81 N -1.52 -0.68 -0.14 5.21 0.00 -0.56 -4.97 121.76 119.09 1nfy s ALA 81 Ca 0.59 1.12 -0.10 0.00 0.00 0.00 0.00 51.96 53.58 1nfy s ALA 81 Cb -0.28 -0.70 -0.05 0.00 0.00 0.00 0.00 23.12 22.10 1nfy s ALA 81 CO 0.34 -0.21 0.18 0.08 0.00 0.00 0.00 175.76 176.16 1nfy s VAL 82 N 1.27 5.40 -0.02 0.00 1.01 -1.26 -0.99 120.40 125.81 1nfy s VAL 82 Ca -0.09 0.31 0.05 0.00 0.00 0.00 0.00 61.98 62.25 1nfy s VAL 82 Cb -0.10 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 1nfy s VAL 82 CO -0.09 0.53 -0.16 -1.00 0.00 0.00 0.00 175.10 174.37 1nfy s HIS 83 N -0.38 1.52 0.23 5.22 3.76 0.28 -4.96 115.29 120.97 1nfy s HIS 83 Ca 0.14 -0.33 -0.22 0.00 -0.15 0.00 0.00 55.06 54.49 1nfy s HIS 83 Cb -0.12 -1.00 -0.09 0.00 1.11 0.00 0.00 32.58 32.48 1nfy s HIS 83 CO 0.03 -0.06 0.78 -1.21 -0.85 0.00 0.00 174.74 173.43 1nfy s GLU 84 N -0.25 4.39 -0.20 1.40 2.02 -1.26 -0.76 118.70 124.04 1nfy s GLU 84 Ca 0.03 1.03 -0.21 0.00 0.02 0.00 0.00 54.97 55.85 1nfy s GLU 84 Cb -0.08 -2.94 -0.03 0.00 0.10 0.00 0.00 34.13 31.19 1nfy s GLU 84 CO 0.00 0.40 0.62 0.08 0.02 0.00 0.00 175.26 176.38 1nfy s VAL 85 N -1.47 5.03 -0.11 2.63 1.01 -1.26 -0.60 120.40 125.63 1nfy s VAL 85 Ca 0.43 1.16 0.04 0.00 0.00 0.00 0.00 61.98 63.62 1nfy s VAL 85 Cb -0.18 -3.93 -0.24 0.00 0.00 0.00 0.00 36.38 32.02 1nfy s VAL 85 CO 0.23 0.12 0.38 1.21 0.00 0.00 0.00 175.10 177.04 1nfy n GLU 86 N 4.99 0.69 -3.76 2.72 2.13 0.49 -4.78 120.64 123.14 1nfy n GLU 86 Ca -0.02 0.23 -0.13 0.00 0.66 0.00 0.00 57.16 57.91 1nfy n GLU 86 Cb 0.50 -1.70 -0.13 0.00 0.27 0.00 0.00 31.44 30.38 1nfy n GLU 86 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1nfy s VAL 87 N -2.56 -0.03 -0.17 6.31 1.01 -0.77 -5.00 120.40 119.18 1nfy s VAL 87 Ca -0.16 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 1nfy s VAL 87 Cb 0.07 -0.31 -0.00 0.00 0.00 0.00 0.00 36.38 36.14 1nfy s VAL 87 CO 0.78 0.04 -0.13 0.68 0.00 0.00 0.00 175.10 176.48 1nfy s VAL 88 N 0.87 2.80 -0.47 2.92 -7.23 -1.26 -0.09 120.40 117.93 1nfy s VAL 88 Ca -0.06 -0.71 -0.06 0.00 -1.81 0.00 0.00 61.98 59.34 1nfy s VAL 88 Cb -0.08 -2.21 0.12 0.00 0.56 0.00 0.00 36.38 34.78 1nfy s VAL 88 CO -0.05 0.50 0.30 -0.63 -0.31 0.00 0.00 175.10 174.91 1nfy s ILE 89 N 1.03 3.76 0.13 -0.62 1.01 0.27 -4.98 121.20 121.79 1nfy s ILE 89 Ca -0.01 -2.06 -0.13 0.00 0.00 0.00 0.00 60.65 58.45 1nfy s ILE 89 Cb -0.15 -3.51 -0.07 0.00 0.01 0.00 0.00 42.46 38.75 1nfy s ILE 89 CO -0.03 -0.76 0.50 -0.75 0.00 0.00 0.00 174.94 173.91 1nfy s LYS 90 N 1.07 3.91 0.16 2.79 2.20 -1.26 -0.02 119.74 128.59 1nfy s LYS 90 Ca 0.08 0.39 -0.31 0.00 -0.36 0.00 0.00 55.97 55.77 1nfy s LYS 90 Cb -0.24 -2.95 -0.10 0.00 -1.51 0.00 0.00 37.83 33.04 1nfy s LYS 90 CO -0.03 0.50 1.54 -1.58 -0.36 0.00 0.00 175.35 175.42 1nfy s HIS 91 N -1.45 3.08 0.61 4.03 5.65 -0.88 -4.87 115.29 121.46 1nfy s HIS 91 Ca 0.36 0.69 0.33 0.00 0.25 0.00 0.00 55.06 56.69 1nfy s HIS 91 Cb -0.15 -3.89 1.94 0.00 -1.18 0.00 0.00 32.58 29.30 1nfy s HIS 91 CO 0.19 -3.26 2.27 -2.95 -0.65 0.00 0.00 174.74 170.34 1nfy h ASN 92 N 6.70 0.00 -0.60 9.88 -0.00 -1.93 -2.23 115.58 127.40 1nfy h ASN 92 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.87 1nfy h ASN 92 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.53 1nfy h ASN 92 CO 0.90 0.00 0.00 0.54 -0.00 0.00 0.00 177.43 178.87 1nfy n ARG 93 N -3.68 2.48 -1.70 4.14 1.74 -1.26 -4.96 116.66 113.41 1nfy n ARG 93 Ca -0.03 -2.29 -0.42 0.00 -0.77 0.00 0.00 57.85 54.34 1nfy n ARG 93 Cb 0.09 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.00 1nfy n ARG 93 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1nfy n PHE 94 N 1.38 2.67 -4.07 -1.55 7.35 -0.84 -4.67 117.46 117.74 1nfy n PHE 94 Ca 0.21 -0.03 -0.32 0.00 -0.76 0.00 0.00 57.45 56.55 1nfy n PHE 94 Cb 0.55 -2.69 -0.15 0.00 0.35 0.00 0.00 39.48 37.54 1nfy n PHE 94 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1nfy s THR 95 N 1.84 2.12 0.38 -2.13 -4.23 -0.70 -5.01 115.64 107.91 1nfy s THR 95 Ca 0.78 -1.52 0.06 0.00 -1.18 0.00 0.00 61.69 59.83 1nfy s THR 95 Cb -0.51 -2.20 0.28 0.00 1.34 0.00 0.00 72.50 71.42 1nfy s THR 95 CO 0.35 0.04 2.00 0.07 -0.54 0.00 0.00 174.62 176.54 1nfy h LYS 96 N 7.80 0.67 -0.99 3.99 2.10 -1.93 0.16 116.57 128.37 1nfy h LYS 96 Ca -0.23 -0.04 0.03 0.00 -2.00 0.00 0.00 60.65 58.41 1nfy h LYS 96 Cb 1.05 -0.15 -0.05 0.00 -0.90 0.00 0.00 32.23 32.18 1nfy h LYS 96 CO 0.48 0.44 0.65 1.49 -2.00 0.00 0.00 179.45 180.51 1nfy h GLU 97 N 0.69 1.24 -0.00 0.07 4.57 -1.97 -3.29 114.58 115.88 1nfy h GLU 97 Ca 0.25 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.36 1nfy h GLU 97 Cb 0.14 -0.28 0.00 0.00 -0.16 0.00 0.00 28.75 28.45 1nfy h GLU 97 CO -0.07 0.82 -0.17 0.25 -1.18 0.00 0.00 179.01 178.65 1nfy n THR 98 N -4.44 0.00 -1.16 0.32 -2.24 -1.11 -5.00 114.28 100.66 1nfy n THR 98 Ca 0.13 -0.41 -0.05 0.00 -2.27 0.00 0.00 64.05 61.44 1nfy n THR 98 Cb 0.07 1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 69.31 1nfy n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1nfy n TYR 99 N -0.73 0.00 -2.43 4.78 4.02 0.53 -4.98 117.16 118.35 1nfy n TYR 99 Ca 0.02 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.52 1nfy n TYR 99 Cb 0.10 -1.32 -0.04 0.00 -0.02 0.00 0.00 39.34 38.06 1nfy n TYR 99 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1nfy s ASP 100 N -2.70 6.92 -1.32 7.72 2.15 -1.18 -3.26 116.67 124.99 1nfy s ASP 100 Ca 0.00 2.24 -0.06 0.00 0.43 0.00 0.00 52.55 55.16 1nfy s ASP 100 Cb 0.00 -2.61 0.01 0.00 -0.30 0.00 0.00 42.92 40.02 1nfy s ASP 100 CO 0.00 -0.39 1.08 0.49 -0.17 0.00 0.00 175.17 176.18 1nfy n PHE 101 N 0.55 -2.55 -2.18 -5.34 3.01 -1.26 -1.72 117.46 107.96 1nfy n PHE 101 Ca 0.02 0.97 -0.43 0.00 1.01 0.00 0.00 57.45 59.03 1nfy n PHE 101 Cb 0.46 -4.92 0.00 0.00 -0.01 0.00 0.00 39.48 35.01 1nfy n PHE 101 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1nfy n ASP 102 N -3.04 4.52 -3.82 4.37 2.03 -1.20 -4.12 116.55 115.29 1nfy n ASP 102 Ca -0.10 -2.94 -0.12 0.00 0.52 0.00 0.00 54.79 52.15 1nfy n ASP 102 Cb 0.60 -1.63 -0.12 0.00 -0.72 0.00 0.00 41.12 39.26 1nfy n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1nfy s ILE 103 N 2.57 0.02 0.01 5.18 2.07 -1.26 -3.94 121.20 125.84 1nfy s ILE 103 Ca 0.46 -0.13 -0.16 0.00 -1.41 0.00 0.00 60.65 59.41 1nfy s ILE 103 Cb 0.09 -0.31 0.03 0.00 0.13 0.00 0.00 42.46 42.40 1nfy s ILE 103 CO -0.02 -0.07 0.34 0.00 -1.91 0.00 0.00 174.94 173.27 1nfy s ALA 104 N -0.19 -0.82 -0.02 1.50 0.00 -0.26 -2.08 121.76 119.89 1nfy s ALA 104 Ca -0.03 0.25 0.06 0.00 0.00 0.00 0.00 51.96 52.24 1nfy s ALA 104 Cb -0.03 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.28 1nfy s ALA 104 CO 0.01 -0.35 -0.19 0.08 0.00 0.00 0.00 175.76 175.31 1nfy s VAL 105 N -1.91 1.54 -0.11 0.00 1.01 0.97 -1.18 120.40 120.71 1nfy s VAL 105 Ca -0.09 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.10 1nfy s VAL 105 Cb -0.03 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 35.07 1nfy s VAL 105 CO 0.01 0.44 -0.23 -0.76 0.00 0.00 0.00 175.10 174.55 1nfy s LEU 106 N -0.37 2.11 -0.23 3.92 1.43 0.15 0.93 118.68 126.62 1nfy s LEU 106 Ca 0.05 -0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 52.48 1nfy s LEU 106 Cb -0.08 -1.42 -0.05 0.00 0.03 0.00 0.00 46.19 44.67 1nfy s LEU 106 CO -0.00 0.15 0.18 -0.60 0.23 0.00 0.00 176.35 176.30 1nfy s ARG 107 N 0.43 4.11 0.37 1.70 3.52 0.86 -1.13 118.95 128.81 1nfy s ARG 107 Ca -0.17 -0.21 -0.15 0.00 -0.13 0.00 0.00 55.73 55.07 1nfy s ARG 107 Cb -0.17 -3.51 -0.09 0.00 -1.56 0.00 0.00 34.95 29.61 1nfy s ARG 107 CO 0.07 0.11 0.79 -0.51 -0.81 0.00 0.00 175.30 174.95 1nfy s LEU 108 N 0.92 3.98 0.13 -0.88 1.43 0.16 -0.38 118.68 124.04 1nfy s LEU 108 Ca 0.09 1.34 -0.15 0.00 -1.03 0.00 0.00 54.13 54.38 1nfy s LEU 108 Cb -0.13 -4.18 -0.02 0.00 0.03 0.00 0.00 46.19 41.90 1nfy s LEU 108 CO 0.03 -0.29 1.59 0.11 0.23 0.00 0.00 176.35 178.03 1nfy h LYS 109 N 1.95 0.69 -6.68 1.70 1.57 -1.16 -3.42 116.57 111.23 1nfy h LYS 109 Ca -0.48 -0.20 -0.68 0.00 -1.87 0.00 0.00 60.65 57.42 1nfy h LYS 109 Cb 1.18 -0.07 -0.19 0.00 0.08 0.00 0.00 32.23 33.23 1nfy h LYS 109 CO 0.64 0.76 -0.79 0.95 -0.57 0.00 0.00 179.45 180.44 1nfy s THR 110 N -5.10 2.90 0.48 -0.16 -4.23 -1.26 -5.02 115.64 103.25 1nfy s THR 110 Ca -0.13 -1.42 -0.21 0.00 -1.18 0.00 0.00 61.69 58.75 1nfy s THR 110 Cb 0.10 -2.31 -0.07 0.00 1.34 0.00 0.00 72.50 71.56 1nfy s THR 110 CO 0.79 0.14 1.12 -2.16 -0.54 0.00 0.00 174.62 173.97 1nfy s PRO 111 N -2.02 3.68 -0.01 3.99 0.04 -1.26 -4.86 135.00 134.55 1nfy s PRO 111 Ca 0.18 1.63 -0.28 0.00 0.04 0.00 0.00 61.00 62.56 1nfy s PRO 111 Cb -0.11 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 32.16 1nfy s PRO 111 CO 0.10 -0.59 0.90 0.42 0.04 0.00 0.00 177.00 177.87 1nfy s ILE 112 N -1.70 4.90 -0.40 0.56 1.01 0.96 -5.01 121.20 121.52 1nfy s ILE 112 Ca 0.67 1.89 -0.20 0.00 0.00 0.00 0.00 60.65 63.00 1nfy s ILE 112 Cb -0.24 -4.24 0.01 0.00 0.01 0.00 0.00 42.46 38.00 1nfy s ILE 112 CO 0.29 0.20 0.62 -0.89 0.00 0.00 0.00 174.94 175.15 1nfy s THR 113 N 0.88 4.88 0.43 2.92 2.01 -1.26 -4.72 115.64 120.77 1nfy s THR 113 Ca 0.48 0.26 -0.25 0.00 0.31 0.00 0.00 61.69 62.49 1nfy s THR 113 Cb -0.20 -4.13 -0.08 0.00 0.01 0.00 0.00 72.50 68.09 1nfy s THR 113 CO 0.25 -0.47 1.28 -0.36 -0.69 0.00 0.00 174.62 174.63 1nfy s PHE 114 N 2.72 2.79 0.00 4.92 0.08 -1.26 -4.94 117.98 122.29 1nfy s PHE 114 Ca 0.22 1.44 0.00 0.00 0.12 0.00 0.00 56.93 58.71 1nfy s PHE 114 Cb -0.14 -3.62 0.00 0.00 -0.57 0.00 0.00 43.02 38.69 1nfy s PHE 114 CO 0.17 -2.02 0.00 2.89 -0.10 0.00 0.00 175.22 176.16 1nfy n ARG 115 N -0.09 0.00 -1.69 0.44 1.85 -0.35 -5.01 116.66 111.80 1nfy n ARG 115 Ca 0.05 0.00 -0.44 0.00 -1.00 0.00 0.00 57.85 56.46 1nfy n ARG 115 Cb 0.45 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.83 1nfy n ARG 115 CO 0.00 0.00 0.00 -0.12 -0.01 0.00 0.00 177.63 177.50 1nfy n MET 116 N 0.00 2.27 -1.14 2.89 0.00 -1.26 -1.18 117.12 118.71 1nfy n MET 116 Ca 0.00 0.81 -0.05 0.00 -0.00 0.00 0.00 57.70 58.47 1nfy n MET 116 Cb 0.00 -2.55 -0.02 0.00 0.00 0.00 0.00 33.22 30.65 1nfy n MET 116 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1nfy n ASN 117 N 2.79 -4.76 -3.44 6.12 3.02 -1.26 -4.91 115.26 112.82 1nfy n ASN 117 Ca 0.13 0.12 -0.22 0.00 -0.03 0.00 0.00 54.58 54.58 1nfy n ASN 117 Cb 0.32 -2.67 -0.11 0.00 -0.61 0.00 0.00 39.78 36.70 1nfy n ASN 117 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1nfy s VAL 118 N -1.78 -0.25 0.03 2.41 1.01 -0.32 -3.30 120.40 118.21 1nfy s VAL 118 Ca 0.00 -0.75 -0.19 0.00 0.00 0.00 0.00 61.98 61.03 1nfy s VAL 118 Cb 0.00 -0.96 0.04 0.00 0.00 0.00 0.00 36.38 35.46 1nfy s VAL 118 CO 0.00 -0.61 0.44 0.00 0.00 0.00 0.00 175.10 174.93 1nfy s ALA 119 N 2.04 -1.10 0.52 5.51 0.00 -0.84 -1.22 121.76 126.68 1nfy s ALA 119 Ca 0.11 0.44 -0.08 0.00 0.00 0.00 0.00 51.96 52.43 1nfy s ALA 119 Cb -0.16 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 1nfy s ALA 119 CO -0.27 -0.44 0.87 -1.25 0.00 0.00 0.00 175.76 174.67 1nfy s PRO 120 N -2.26 3.59 0.09 0.00 0.04 -1.26 -2.33 135.00 132.87 1nfy s PRO 120 Ca -0.07 0.42 -0.04 0.00 0.04 0.00 0.00 61.00 61.35 1nfy s PRO 120 Cb -0.01 -2.27 -0.05 0.00 0.04 0.00 0.00 34.50 32.20 1nfy s PRO 120 CO -0.01 -0.32 0.32 0.00 0.04 0.00 0.00 177.00 177.04 1nfy s ALA 121 N -2.86 3.84 0.18 8.56 0.00 -0.70 -4.85 121.76 125.94 1nfy s ALA 121 Ca 0.50 -0.61 -0.27 0.00 0.00 0.00 0.00 51.96 51.59 1nfy s ALA 121 Cb -0.11 -2.06 -0.08 0.00 0.00 0.00 0.00 23.12 20.87 1nfy s ALA 121 CO 0.47 0.69 0.84 0.00 0.00 0.00 0.00 175.76 177.75 1nfy s LEU 123 N -1.07 4.26 0.00 0.00 1.43 -1.26 -0.73 118.68 121.31 1nfy s LEU 123 Ca 0.38 0.91 -0.04 0.00 -1.03 0.00 0.00 54.13 54.35 1nfy s LEU 123 Cb -0.24 -2.84 0.13 0.00 0.03 0.00 0.00 46.19 43.27 1nfy s LEU 123 CO 0.28 -0.09 0.81 -0.81 0.23 0.00 0.00 176.35 176.78 1nfy n PRO 124 N 3.99 -0.26 -3.92 1.29 -0.04 -1.26 -4.97 135.00 129.82 1nfy n PRO 124 Ca -0.04 -1.84 -0.37 0.00 -0.04 0.00 0.00 63.50 61.21 1nfy n PRO 124 Cb 0.51 -0.66 -0.06 0.00 -0.04 0.00 0.00 33.50 33.25 1nfy n PRO 124 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1nfy s GLU 124 N -4.63 3.42 0.07 0.54 2.02 -1.26 -5.01 118.70 113.85 1nfy s GLU 124 Ca 0.51 -0.16 -0.18 0.00 0.02 0.00 0.00 54.97 55.16 1nfy s GLU 124 Cb -0.02 -3.16 -0.06 0.00 0.10 0.00 0.00 34.13 30.99 1nfy s GLU 124 CO 0.34 0.75 1.29 -0.09 0.02 0.00 0.00 175.26 177.58 1nfy h ARG 125 N 5.06 -0.24 -0.41 1.61 1.12 -1.98 -0.52 114.38 119.02 1nfy h ARG 125 Ca -0.54 0.02 0.06 0.00 -1.11 0.00 0.00 59.98 58.41 1nfy h ARG 125 Cb 1.22 0.05 -0.05 0.00 -0.01 0.00 0.00 29.97 31.18 1nfy h ARG 125 CO 0.58 -0.16 0.10 -0.44 -3.11 0.00 0.00 179.97 176.94 1nfy h ASP 126 N -0.25 0.04 -0.55 -3.80 3.32 -1.96 -0.25 116.42 112.96 1nfy h ASP 126 Ca 0.03 0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 1nfy h ASP 126 Cb 0.33 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 1nfy h ASP 126 CO -0.28 0.06 0.09 -0.25 -1.72 0.00 0.00 179.24 177.14 1nfy h TRP 127 N 0.23 0.97 -0.37 4.55 7.01 -1.98 -2.34 115.95 124.02 1nfy h TRP 127 Ca 0.20 -0.13 -0.02 0.00 2.11 0.00 0.00 58.89 61.05 1nfy h TRP 127 Cb 0.23 -0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 27.01 1nfy h TRP 127 CO -0.19 0.85 0.17 0.00 -2.79 0.00 0.00 178.44 176.48 1nfy h ALA 128 N 1.00 0.48 -0.45 2.65 0.00 -0.58 0.10 119.26 122.47 1nfy h ALA 128 Ca 0.17 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1nfy h ALA 128 Cb 0.40 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1nfy h ALA 128 CO 0.01 0.06 -0.16 0.93 0.00 0.00 0.00 179.25 180.09 1nfy h GLU 129 N 0.46 0.86 0.00 0.00 5.08 -1.00 0.47 114.58 120.46 1nfy h GLU 129 Ca 0.13 -0.32 -0.19 0.00 -1.00 0.00 0.00 59.36 57.98 1nfy h GLU 129 Cb 0.14 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1nfy h GLU 129 CO -0.01 0.96 -1.37 0.66 -1.00 0.00 0.00 179.01 178.24 1nfy h SER 130 N 0.76 0.00 0.00 1.42 4.64 -1.40 -3.38 113.55 115.60 1nfy h SER 130 Ca 0.12 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.26 1nfy h SER 130 Cb 0.68 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.74 1nfy h SER 130 CO 0.05 0.66 -1.63 0.41 -0.87 0.00 0.00 176.83 175.44 1nfy n THR 131 N -2.96 0.63 -0.03 2.95 -1.04 0.36 -4.46 114.28 109.74 1nfy n THR 131 Ca -0.10 -0.21 -0.15 0.00 -2.04 0.00 0.00 64.05 61.55 1nfy n THR 131 Cb 0.87 -1.17 -0.12 0.00 -1.82 0.00 0.00 70.33 68.09 1nfy n THR 131 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1nfy h LEU 131 N -0.16 0.20 -0.02 -4.42 5.85 -0.78 -3.32 115.31 112.66 1nfy h LEU 131 Ca -0.26 -0.81 0.00 0.00 0.84 0.00 0.00 57.88 57.64 1nfy h LEU 131 Cb 1.33 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.30 1nfy h LEU 131 CO -0.09 0.99 0.00 0.23 -0.34 0.00 0.00 178.44 179.23 1nfy n MET 131 N -4.51 1.02 -0.27 1.25 2.81 0.14 -2.55 117.12 115.01 1nfy n MET 131 Ca -0.10 -0.02 0.09 0.00 -1.81 0.00 0.00 57.70 55.85 1nfy n MET 131 Cb 0.51 -1.48 0.24 0.00 -0.71 0.00 0.00 33.22 31.78 1nfy n MET 131 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1nfy n THR 132 N -0.95 0.98 -1.67 2.03 -2.24 -1.25 -4.95 114.28 106.23 1nfy n THR 132 Ca 0.23 -0.99 -0.30 0.00 -2.27 0.00 0.00 64.05 60.72 1nfy n THR 132 Cb 0.11 0.52 0.08 0.00 -2.10 0.00 0.00 70.33 68.94 1nfy n THR 132 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1nfy s GLN 133 N -1.01 2.28 0.04 -0.78 2.00 -1.06 -4.99 119.66 116.15 1nfy s GLN 133 Ca 0.36 0.55 -0.26 0.00 -2.00 0.00 0.00 55.36 54.02 1nfy s GLN 133 Cb 0.19 -1.95 -0.17 0.00 0.80 0.00 0.00 33.01 31.88 1nfy s GLN 133 CO 0.25 -1.46 1.44 0.87 -0.50 0.00 0.00 175.29 175.89 1nfy h LYS 134 N -0.97 -0.32 -5.02 1.67 1.57 -1.92 -3.41 116.57 108.17 1nfy h LYS 134 Ca -0.46 0.02 -0.42 0.00 -1.87 0.00 0.00 60.65 57.92 1nfy h LYS 134 Cb 1.27 0.07 -0.14 0.00 0.08 0.00 0.00 32.23 33.51 1nfy h LYS 134 CO 0.61 -0.06 -0.60 0.95 -0.57 0.00 0.00 179.45 179.78 1nfy s THR 135 N -5.25 0.77 0.24 -0.16 -4.23 -1.26 -1.41 115.64 104.33 1nfy s THR 135 Ca -0.15 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.39 1nfy s THR 135 Cb 0.03 -2.66 -0.01 0.00 1.34 0.00 0.00 72.50 71.20 1nfy s THR 135 CO 0.61 0.00 0.11 0.61 -0.54 0.00 0.00 174.62 175.41 1nfy n GLY 136 N -0.59 3.50 2.89 3.99 0.00 -0.70 -4.72 105.19 109.56 1nfy n GLY 136 Ca -0.01 -1.98 -0.19 0.00 0.00 0.00 0.00 46.02 43.84 1nfy n GLY 136 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nfy s ILE 137 N -2.59 0.46 0.12 -0.61 1.01 0.21 -1.72 121.20 118.09 1nfy s ILE 137 Ca 0.16 -0.10 0.08 0.00 0.00 0.00 0.00 60.65 60.79 1nfy s ILE 137 Cb 0.01 -0.49 -0.04 0.00 0.01 0.00 0.00 42.46 41.95 1nfy s ILE 137 CO 0.11 0.20 -0.13 0.54 0.00 0.00 0.00 174.94 175.66 1nfy s VAL 138 N 0.81 3.12 0.08 2.92 0.11 -0.42 -0.65 120.40 126.36 1nfy s VAL 138 Ca -0.10 -1.42 -0.13 0.00 -2.93 0.00 0.00 61.98 57.40 1nfy s VAL 138 Cb -0.13 -2.46 0.02 0.00 -1.53 0.00 0.00 36.38 32.28 1nfy s VAL 138 CO -0.00 0.08 0.29 -0.94 -3.33 0.00 0.00 175.10 171.20 1nfy s SER 139 N -2.26 -0.07 0.00 3.54 1.04 -1.12 -0.66 113.70 114.16 1nfy s SER 139 Ca 0.20 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.26 1nfy s SER 139 Cb -0.11 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.39 1nfy s SER 139 CO 0.12 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.25 1nfy n GLY 140 N 0.18 0.23 1.59 7.32 0.00 -0.67 -4.18 105.19 109.66 1nfy n GLY 140 Ca -0.17 -1.10 0.09 0.00 0.00 0.00 0.00 46.02 44.83 1nfy n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1nfy n PHE 141 N -0.63 1.57 -0.82 1.61 3.72 -1.26 -1.63 117.46 120.01 1nfy n PHE 141 Ca 0.00 -0.65 -0.30 0.00 -0.05 0.00 0.00 57.45 56.45 1nfy n PHE 141 Cb 0.00 -0.31 0.25 0.00 -0.94 0.00 0.00 39.48 38.48 1nfy n PHE 141 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1nfy s GLY 142 N -0.95 1.53 0.30 1.37 0.00 -1.26 -1.42 107.32 106.88 1nfy s GLY 142 Ca 0.51 -0.69 -0.28 0.00 0.00 0.00 0.00 44.72 44.25 1nfy s GLY 142 CO 0.22 0.16 1.10 0.54 0.00 0.00 0.00 173.10 175.11 1nfy n ARG 143 N -4.93 1.55 0.00 2.90 1.74 0.89 -2.28 116.66 116.53 1nfy n ARG 143 Ca 0.10 0.55 0.13 0.00 -0.77 0.00 0.00 57.85 57.85 1nfy n ARG 143 Cb 0.58 -1.98 0.34 0.00 -1.02 0.00 0.00 32.46 30.39 1nfy n ARG 143 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1nfy n THR 144 N 0.35 0.00 -3.70 0.55 -2.24 -1.17 -1.23 114.28 106.84 1nfy n THR 144 Ca 0.09 -0.01 -0.14 0.00 -2.27 0.00 0.00 64.05 61.72 1nfy n THR 144 Cb 0.33 0.08 -0.09 0.00 -2.10 0.00 0.00 70.33 68.55 1nfy n THR 144 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1nfy s HIS 145 N -2.97 -0.41 0.30 4.78 3.76 -1.26 -4.30 115.29 115.19 1nfy s HIS 145 Ca 0.13 0.85 0.03 0.00 -0.15 0.00 0.00 55.06 55.91 1nfy s HIS 145 Cb 0.18 0.18 0.75 0.00 1.11 0.00 0.00 32.58 34.81 1nfy s HIS 145 CO 0.65 -0.36 1.62 1.49 -0.85 0.00 0.00 174.74 177.29 1nfy h GLU 147 N 4.43 0.13 -0.02 1.40 4.81 -1.88 0.26 114.58 123.70 1nfy h GLU 147 Ca -0.28 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1nfy h GLU 147 Cb 1.17 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1nfy h GLU 147 CO 0.32 0.08 -0.12 1.63 -0.73 0.00 0.00 179.01 180.19 1nfy n LYS 148 N -5.31 1.70 -0.42 1.92 4.76 -1.26 -4.95 118.16 114.61 1nfy n LYS 148 Ca 0.23 -1.47 -0.10 0.00 -2.87 0.00 0.00 58.31 54.09 1nfy n LYS 148 Cb 0.74 -1.38 0.09 0.00 -1.84 0.00 0.00 35.03 32.63 1nfy n LYS 148 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nfy n GLY 149 N 1.17 -2.34 3.96 0.72 0.00 0.91 -5.06 105.19 104.55 1nfy n GLY 149 Ca 0.11 -1.50 -0.22 0.00 0.00 0.00 0.00 46.02 44.40 1nfy n GLY 149 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1nfy s ARG 150 N -3.90 3.46 0.74 1.61 3.52 -1.26 -4.80 118.95 118.32 1nfy s ARG 150 Ca 0.25 -0.62 -0.15 0.00 -0.13 0.00 0.00 55.73 55.08 1nfy s ARG 150 Cb -0.02 -2.83 0.05 0.00 -1.56 0.00 0.00 34.95 30.59 1nfy s ARG 150 CO 0.19 0.35 1.25 -1.14 -0.81 0.00 0.00 175.30 175.14 1nfy s GLN 151 N -4.02 1.98 0.16 5.12 2.00 -1.26 -3.05 119.66 120.59 1nfy s GLN 151 Ca 0.36 1.89 -0.22 0.00 -2.00 0.00 0.00 55.36 55.39 1nfy s GLN 151 Cb -0.09 -1.80 -0.08 0.00 0.80 0.00 0.00 33.01 31.84 1nfy s GLN 151 CO 0.31 -1.99 0.71 0.45 -0.50 0.00 0.00 175.29 174.27 1nfy s SER 152 N -1.83 7.22 0.00 6.67 0.15 -0.51 -4.84 113.70 120.55 1nfy s SER 152 Ca 0.77 1.49 0.26 0.00 0.70 0.00 0.00 55.95 59.17 1nfy s SER 152 Cb -0.33 -2.44 0.69 0.00 -1.71 0.00 0.00 66.02 62.24 1nfy s SER 152 CO 0.46 0.17 1.54 0.35 1.20 0.00 0.00 173.24 176.96 1nfy n THR 153 N 1.35 0.00 -4.90 6.45 -2.24 -1.26 -4.73 114.28 108.95 1nfy n THR 153 Ca -0.06 -0.02 -0.33 0.00 -2.27 0.00 0.00 64.05 61.38 1nfy n THR 153 Cb 0.50 0.14 -0.14 0.00 -2.10 0.00 0.00 70.33 68.73 1nfy n THR 153 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1nfy s ARG 154 N -2.90 2.78 0.14 -0.78 1.81 -1.26 -0.61 118.95 118.13 1nfy s ARG 154 Ca 0.14 -0.72 -0.31 0.00 -1.72 0.00 0.00 55.73 53.13 1nfy s ARG 154 Cb 0.18 -2.43 -0.08 0.00 -0.45 0.00 0.00 34.95 32.17 1nfy s ARG 154 CO 0.64 0.47 1.40 -1.17 -0.68 0.00 0.00 175.30 175.95 1nfy s LEU 155 N -0.33 4.38 0.34 2.53 2.96 0.04 -4.67 118.68 123.92 1nfy s LEU 155 Ca 0.03 2.38 0.10 0.00 -0.22 0.00 0.00 54.13 56.41 1nfy s LEU 155 Cb -0.13 -3.59 -0.06 0.00 0.50 0.00 0.00 46.19 42.91 1nfy s LEU 155 CO 0.02 -0.65 -0.08 -0.54 -1.32 0.00 0.00 176.35 173.78 1nfy s LYS 156 N 0.85 1.87 0.03 1.98 1.02 -0.64 -1.68 119.74 123.17 1nfy s LYS 156 Ca 0.64 -1.87 -0.00 0.00 0.02 0.00 0.00 55.97 54.75 1nfy s LYS 156 Cb -0.38 -1.77 -0.03 0.00 -0.52 0.00 0.00 37.83 35.14 1nfy s LYS 156 CO 0.32 0.16 -0.03 0.00 -0.92 0.00 0.00 175.35 174.88 1nfy s MET 157 N -3.63 0.41 -0.13 1.68 0.23 0.13 -1.67 119.30 116.32 1nfy s MET 157 Ca 0.33 -0.79 -0.08 0.00 -1.03 0.00 0.00 55.69 54.12 1nfy s MET 157 Cb 0.01 0.12 0.05 0.00 -1.53 0.00 0.00 34.83 33.47 1nfy s MET 157 CO 0.17 -0.06 0.32 -1.17 -2.03 0.00 0.00 175.02 172.25 1nfy s LEU 158 N -1.87 0.35 -0.26 0.18 0.20 0.16 -0.79 118.68 116.65 1nfy s LEU 158 Ca -0.09 0.68 -0.25 0.00 0.69 0.00 0.00 54.13 55.15 1nfy s LEU 158 Cb -0.05 1.04 0.00 0.00 -0.43 0.00 0.00 46.19 46.75 1nfy s LEU 158 CO -0.03 -0.16 0.88 -0.70 -0.29 0.00 0.00 176.35 176.04 1nfy s GLU 159 N 0.99 4.15 -0.17 1.98 2.12 -1.26 -1.31 118.70 125.20 1nfy s GLU 159 Ca -0.07 0.96 0.01 0.00 0.36 0.00 0.00 54.97 56.23 1nfy s GLU 159 Cb -0.07 -3.67 0.01 0.00 0.26 0.00 0.00 34.13 30.66 1nfy s GLU 159 CO -0.07 -0.60 -0.19 0.14 -0.54 0.00 0.00 175.26 174.00 1nfy s VAL 160 N 2.99 2.26 0.58 3.70 -7.23 -0.70 -4.94 120.40 117.06 1nfy s VAL 160 Ca 0.37 -0.89 -0.20 0.00 -1.81 0.00 0.00 61.98 59.45 1nfy s VAL 160 Cb -0.15 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 1nfy s VAL 160 CO 0.09 0.53 1.25 -2.84 -0.31 0.00 0.00 175.10 173.82 1nfy s PRO 161 N 1.09 2.99 0.34 4.82 0.02 -1.26 -1.72 135.00 141.28 1nfy s PRO 161 Ca -0.00 1.96 -0.27 0.00 0.02 0.00 0.00 61.00 62.71 1nfy s PRO 161 Cb -0.14 -2.03 -0.09 0.00 0.02 0.00 0.00 34.50 32.26 1nfy s PRO 161 CO -0.07 -1.22 1.13 0.71 -0.33 0.00 0.00 177.00 177.22 1nfy s TYR 162 N -1.48 3.32 -0.09 6.54 2.02 -0.50 -1.10 117.35 126.06 1nfy s TYR 162 Ca 0.76 1.62 -0.01 0.00 -0.37 0.00 0.00 57.07 59.07 1nfy s TYR 162 Cb -0.34 -3.33 -0.03 0.00 -0.40 0.00 0.00 41.96 37.86 1nfy s TYR 162 CO 0.38 -0.92 -0.04 0.08 -1.57 0.00 0.00 175.55 173.48 1nfy s VAL 163 N -1.32 3.98 0.02 0.71 1.01 -0.33 -4.86 120.40 119.61 1nfy s VAL 163 Ca 0.51 -0.37 -0.35 0.00 0.00 0.00 0.00 61.98 61.78 1nfy s VAL 163 Cb -0.31 -2.66 -0.13 0.00 0.00 0.00 0.00 36.38 33.27 1nfy s VAL 163 CO 0.39 0.58 1.69 -0.67 0.00 0.00 0.00 175.10 177.09 1nfy n ASP 164 N 2.41 3.04 -0.20 3.32 2.03 -1.26 -4.53 116.55 121.36 1nfy n ASP 164 Ca -0.18 1.04 -0.02 0.00 0.52 0.00 0.00 54.79 56.15 1nfy n ASP 164 Cb 0.53 -1.36 0.05 0.00 -0.72 0.00 0.00 41.12 39.62 1nfy n ASP 164 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1nfy h ARG 165 N 7.18 -0.04 -0.29 -0.67 2.43 -1.97 0.26 114.38 121.27 1nfy h ARG 165 Ca -0.47 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.67 1nfy h ARG 165 Cb 1.27 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 1nfy h ARG 165 CO 0.91 -0.03 0.04 -0.97 -1.51 0.00 0.00 179.97 178.41 1nfy h ASN 166 N -0.04 0.46 -0.21 -3.80 -0.73 -1.99 -0.12 115.58 109.14 1nfy h ASN 166 Ca 0.28 -0.26 -0.01 0.00 1.87 0.00 0.00 56.30 58.17 1nfy h ASN 166 Cb 0.47 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 38.93 1nfy h ASN 166 CO -0.63 0.61 0.10 0.28 -0.37 0.00 0.00 177.43 177.42 1nfy h SER 167 N 0.30 0.31 -0.08 1.15 0.02 -1.75 -1.67 113.55 111.83 1nfy h SER 167 Ca 0.09 -0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 60.88 1nfy h SER 167 Cb 0.34 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 62.81 1nfy h SER 167 CO 0.01 0.29 -0.46 0.00 -1.14 0.00 0.00 176.83 175.53 1nfy h LYS 169 N -0.00 1.19 -0.25 0.00 1.57 -0.63 -1.98 116.57 116.48 1nfy h LYS 169 Ca -0.04 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 1nfy h LYS 169 Cb 1.11 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 1nfy h LYS 169 CO 0.09 0.79 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.58 1nfy h LEU 170 N 1.23 0.38 -0.32 2.94 3.38 -1.34 -3.00 115.31 118.57 1nfy h LEU 170 Ca 0.34 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 1nfy h LEU 170 Cb -0.12 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1nfy h LEU 170 CO -0.08 0.53 -0.17 0.77 0.09 0.00 0.00 178.44 179.58 1nfy h SER 171 N 0.38 0.00 -3.15 -0.43 4.64 -1.02 -3.46 113.55 110.51 1nfy h SER 171 Ca 0.07 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.80 1nfy h SER 171 Cb 0.42 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.46 1nfy h SER 171 CO 0.02 0.17 -0.12 -0.55 -0.87 0.00 0.00 176.83 175.48 1nfy s SER 172 N -6.22 6.89 0.00 4.97 0.15 -0.93 -4.78 113.70 113.79 1nfy s SER 172 Ca 0.05 1.06 0.29 0.00 0.70 0.00 0.00 55.95 58.05 1nfy s SER 172 Cb 0.07 -2.30 1.29 0.00 -1.71 0.00 0.00 66.02 63.37 1nfy s SER 172 CO 0.67 0.25 1.92 -1.20 1.20 0.00 0.00 173.24 176.08 1nfy n SER 173 N 2.09 0.15 -4.31 5.45 7.64 -1.26 -4.82 113.62 118.56 1nfy n SER 173 Ca -0.11 -0.06 -0.21 0.00 1.01 0.00 0.00 58.87 59.50 1nfy n SER 173 Cb 0.52 -0.26 -0.11 0.00 -1.01 0.00 0.00 64.21 63.35 1nfy n SER 173 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1nfy s PHE 174 N -2.71 1.73 0.37 1.43 0.08 -1.26 -5.12 117.98 112.49 1nfy s PHE 174 Ca 0.23 -0.48 -0.28 0.00 0.12 0.00 0.00 56.93 56.52 1nfy s PHE 174 Cb 0.20 -0.88 -0.11 0.00 -0.57 0.00 0.00 43.02 41.65 1nfy s PHE 174 CO 0.51 0.28 1.38 1.51 -0.10 0.00 0.00 175.22 178.79 1nfy n ILE 175 N 0.42 2.08 -3.79 0.64 3.06 -1.26 -4.99 119.36 115.52 1nfy n ILE 175 Ca -0.14 -0.50 -0.36 0.00 -2.50 0.00 0.00 62.75 59.25 1nfy n ILE 175 Cb 0.57 -1.75 -0.12 0.00 0.54 0.00 0.00 39.64 38.88 1nfy n ILE 175 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 1nfy s ILE 176 N -1.12 3.28 0.89 9.51 -1.09 -1.26 -5.06 121.20 126.35 1nfy s ILE 176 Ca 0.55 -1.89 -0.13 0.00 -2.23 0.00 0.00 60.65 56.95 1nfy s ILE 176 Cb -0.52 -3.17 0.13 0.00 -1.58 0.00 0.00 42.46 37.32 1nfy s ILE 176 CO 0.62 -0.57 1.19 0.42 -1.23 0.00 0.00 174.94 175.38 1nfy s THR 177 N 1.18 1.98 -1.40 2.92 -4.23 -1.26 -4.92 115.64 109.90 1nfy s THR 177 Ca 0.05 0.00 0.12 0.00 -1.18 0.00 0.00 61.69 60.68 1nfy s THR 177 Cb -0.22 -2.90 0.19 0.00 1.34 0.00 0.00 72.50 70.92 1nfy s THR 177 CO -0.03 0.00 1.28 0.00 -0.54 0.00 0.00 174.62 175.33 1nfy n GLN 178 N -3.60 0.15 -0.51 3.99 0.00 -1.26 -2.03 117.38 114.11 1nfy n GLN 178 Ca 0.09 0.18 0.09 0.00 0.00 0.00 0.00 57.00 57.37 1nfy n GLN 178 Cb 0.60 -1.50 0.32 0.00 0.00 0.00 0.00 30.24 29.66 1nfy n GLN 178 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1nfy n ASN 179 N -1.30 4.36 -4.10 2.61 3.02 -1.26 -4.91 115.26 113.69 1nfy n ASN 179 Ca 0.05 -2.39 -0.09 0.00 -0.03 0.00 0.00 54.58 52.12 1nfy n ASN 179 Cb 0.09 -0.52 -0.10 0.00 -0.61 0.00 0.00 39.78 38.64 1nfy n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1nfy s MET 180 N -1.73 0.63 0.15 3.52 -1.94 -0.86 -0.54 119.30 118.52 1nfy s MET 180 Ca 0.46 -1.12 -0.07 0.00 -1.71 0.00 0.00 55.69 53.26 1nfy s MET 180 Cb 0.29 0.02 -0.02 0.00 2.01 0.00 0.00 34.83 37.14 1nfy s MET 180 CO 0.23 -0.06 0.21 -0.59 -0.01 0.00 0.00 175.02 174.80 1nfy s PHE 181 N -3.22 0.51 0.16 -0.03 -0.12 -0.20 -4.74 117.98 110.33 1nfy s PHE 181 Ca 0.03 -0.88 0.09 0.00 -0.05 0.00 0.00 56.93 56.12 1nfy s PHE 181 Cb 0.03 -0.18 -0.04 0.00 -0.63 0.00 0.00 43.02 42.20 1nfy s PHE 181 CO -0.06 -0.64 -0.17 0.00 -0.05 0.00 0.00 175.22 174.30 1nfy s ALA 183 N -1.45 -1.15 0.00 0.00 0.00 -0.22 -1.19 121.76 117.75 1nfy s ALA 183 Ca 0.21 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.54 1nfy s ALA 183 Cb -0.09 0.45 0.00 0.00 0.00 0.00 0.00 23.12 23.48 1nfy s ALA 183 CO 0.12 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 175.76 1nfy n GLY 184 N 0.28 0.62 3.41 0.00 0.00 -0.26 -1.26 105.19 107.99 1nfy n GLY 184 Ca -0.18 -2.08 -0.27 0.00 0.00 0.00 0.00 46.02 43.50 1nfy n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nfy s TYR 185 N -1.15 2.27 -0.06 1.61 2.02 -1.26 -4.06 117.35 116.72 1nfy s TYR 185 Ca 0.00 -0.37 -0.26 0.00 -0.37 0.00 0.00 57.07 56.07 1nfy s TYR 185 Cb 0.00 -1.13 -0.21 0.00 -0.40 0.00 0.00 41.96 40.22 1nfy s TYR 185 CO 0.00 0.48 1.06 0.22 -1.57 0.00 0.00 175.55 175.73 1nfy h ASP 185 N 3.26 -0.03 0.00 2.29 3.58 -1.91 -3.43 116.42 120.18 1nfy h ASP 185 Ca -0.46 -0.60 0.00 0.00 0.42 0.00 0.00 57.03 56.39 1nfy h ASP 185 Cb 1.21 0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.26 1nfy h ASP 185 CO 0.47 0.60 -0.77 0.35 -2.88 0.00 0.00 179.24 177.02 1nfy n THR 185 N -4.80 0.00 -1.76 2.25 -2.24 -1.26 0.65 114.28 107.12 1nfy n THR 185 Ca -0.09 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.28 1nfy n THR 185 Cb 0.31 0.25 -0.01 0.00 -2.10 0.00 0.00 70.33 68.79 1nfy n THR 185 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1nfy n LYS 186 N -1.22 2.71 -1.00 -0.78 4.81 -1.26 -4.79 118.16 116.63 1nfy n LYS 186 Ca 0.00 0.96 -0.27 0.00 -0.87 0.00 0.00 58.31 58.12 1nfy n LYS 186 Cb 0.04 -2.72 -0.04 0.00 0.02 0.00 0.00 35.03 32.33 1nfy n LYS 186 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1nfy n GLN 187 N 1.49 2.71 -3.80 1.64 1.13 -1.26 -4.73 117.38 114.55 1nfy n GLN 187 Ca 0.06 -1.67 -0.15 0.00 -1.94 0.00 0.00 57.00 53.30 1nfy n GLN 187 Cb 0.38 -2.51 -0.16 0.00 0.11 0.00 0.00 30.24 28.06 1nfy n GLN 187 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1nfy s GLU 188 N 2.52 0.02 -0.08 -1.09 2.02 -1.26 -4.13 118.70 116.70 1nfy s GLU 188 Ca 0.55 0.16 -0.32 0.00 0.02 0.00 0.00 54.97 55.38 1nfy s GLU 188 Cb 0.16 -0.28 0.14 0.00 0.10 0.00 0.00 34.13 34.25 1nfy s GLU 188 CO -0.04 -0.16 1.41 0.34 0.02 0.00 0.00 175.26 176.83 1nfy s ASP 189 N 1.03 -0.01 0.98 -0.19 2.15 -0.93 -4.26 116.67 115.44 1nfy s ASP 189 Ca -0.09 -0.03 -0.16 0.00 0.43 0.00 0.00 52.55 52.70 1nfy s ASP 189 Cb -0.13 0.04 0.22 0.00 -0.30 0.00 0.00 42.92 42.76 1nfy s ASP 189 CO -0.03 -0.07 1.33 0.00 -0.17 0.00 0.00 175.17 176.23 1nfy n ALA 190 N -0.53 -1.43 -3.44 3.66 0.00 -1.26 0.09 120.51 117.60 1nfy n ALA 190 Ca -0.09 -1.78 0.01 0.00 0.00 0.00 0.00 53.44 51.58 1nfy n ALA 190 Cb 0.63 -0.06 0.01 0.00 0.00 0.00 0.00 19.45 20.04 1nfy n ALA 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nfy n GLN 192 N -0.32 2.45 0.00 0.00 7.27 -1.26 -1.76 117.38 123.77 1nfy n GLN 192 Ca -0.04 0.87 0.00 0.00 0.07 0.00 0.00 57.00 57.91 1nfy n GLN 192 Cb 0.31 -2.62 0.00 0.00 2.41 0.00 0.00 30.24 30.34 1nfy n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1nfy n GLY 193 N 2.44 3.08 0.11 1.69 0.00 -1.26 -0.08 105.19 111.17 1nfy n GLY 193 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 1nfy n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1nfy h ASP 194 N 0.09 0.00 -1.90 1.61 3.32 -1.64 -3.31 116.42 114.59 1nfy h ASP 194 Ca 0.00 -0.07 -0.64 0.00 0.02 0.00 0.00 57.03 56.34 1nfy h ASP 194 Cb 0.00 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.65 1nfy h ASP 194 CO 0.00 0.04 -0.05 -1.20 -1.72 0.00 0.00 179.24 176.31 1nfy n SER 195 N -2.54 0.50 0.00 6.45 7.64 -1.26 -0.64 113.62 123.77 1nfy n SER 195 Ca 0.02 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.06 1nfy n SER 195 Cb 0.51 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 1nfy n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nfy n GLY 196 N 1.59 2.61 3.57 0.23 0.00 0.34 0.14 105.19 113.67 1nfy n GLY 196 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1nfy n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nfy s GLY 197 N -1.79 1.55 0.21 -0.02 0.00 0.18 -2.64 107.32 104.82 1nfy s GLY 197 Ca 0.00 -0.68 -0.30 0.00 0.00 0.00 0.00 44.72 43.74 1nfy s GLY 197 CO 0.00 0.13 0.94 2.56 0.00 0.00 0.00 173.10 176.72 1nfy s PRO 198 N -5.13 4.82 -0.24 2.90 0.05 -1.26 -2.13 135.00 134.02 1nfy s PRO 198 Ca 0.69 1.47 0.01 0.00 0.05 0.00 0.00 61.00 63.22 1nfy s PRO 198 Cb -0.14 -3.30 0.06 0.00 0.05 0.00 0.00 34.50 31.17 1nfy s PRO 198 CO 0.58 0.47 -0.07 -1.58 0.05 0.00 0.00 177.00 176.44 1nfy s HIS 199 N -0.97 2.58 0.22 0.56 2.46 -0.90 -2.79 115.29 116.45 1nfy s HIS 199 Ca 0.42 -1.86 0.10 0.00 0.47 0.00 0.00 55.06 54.19 1nfy s HIS 199 Cb -0.25 -1.66 -0.05 0.00 -0.13 0.00 0.00 32.58 30.49 1nfy s HIS 199 CO 0.31 -0.79 -0.18 0.14 -2.47 0.00 0.00 174.74 171.75 1nfy s VAL 200 N 1.33 2.08 -0.06 0.89 -7.23 0.17 -0.24 120.40 117.34 1nfy s VAL 200 Ca -0.06 -2.18 0.04 0.00 -1.81 0.00 0.00 61.98 57.97 1nfy s VAL 200 Cb -0.19 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 34.67 1nfy s VAL 200 CO -0.06 -0.40 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.25 1nfy s THR 201 N -2.43 1.56 -0.09 5.32 2.01 0.81 0.66 115.64 123.48 1nfy s THR 201 Ca 0.23 -0.76 -0.19 0.00 0.31 0.00 0.00 61.69 61.28 1nfy s THR 201 Cb -0.04 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 1nfy s THR 201 CO 0.10 0.45 0.52 -0.60 -0.69 0.00 0.00 174.62 174.39 1nfy s ARG 202 N 0.24 4.33 -0.17 4.92 3.52 -1.26 -0.85 118.95 129.67 1nfy s ARG 202 Ca -0.10 0.54 -0.04 0.00 -0.13 0.00 0.00 55.73 56.00 1nfy s ARG 202 Cb -0.14 -3.41 0.06 0.00 -1.56 0.00 0.00 34.95 29.89 1nfy s ARG 202 CO 0.04 0.20 0.07 0.12 -0.81 0.00 0.00 175.30 174.93 1nfy s PHE 203 N 0.45 0.45 -1.35 5.12 5.36 0.31 -4.87 117.98 123.44 1nfy s PHE 203 Ca 0.28 -0.47 -0.04 0.00 -0.96 0.00 0.00 56.93 55.74 1nfy s PHE 203 Cb -0.16 -0.79 0.02 0.00 -0.34 0.00 0.00 43.02 41.75 1nfy s PHE 203 CO 0.12 -0.53 0.86 1.63 -1.46 0.00 0.00 175.22 175.84 1nfy n LYS 204 N 5.21 -5.63 -1.17 10.12 5.02 -1.26 -2.19 118.16 128.26 1nfy n LYS 204 Ca -0.08 0.67 -0.06 0.00 -2.02 0.00 0.00 58.31 56.83 1nfy n LYS 204 Cb 0.48 -5.43 -0.03 0.00 -0.02 0.00 0.00 35.03 30.04 1nfy n LYS 204 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1nfy n ASP 205 N -3.01 -4.30 -4.10 4.39 8.00 -1.26 -5.01 116.55 111.26 1nfy n ASP 205 Ca -0.18 0.15 -0.27 0.00 0.71 0.00 0.00 54.79 55.19 1nfy n ASP 205 Cb 0.63 -2.32 -0.17 0.00 -0.02 0.00 0.00 41.12 39.24 1nfy n ASP 205 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1nfy s THR 206 N -2.02 1.48 -0.23 -3.53 2.01 -0.93 -5.12 115.64 107.29 1nfy s THR 206 Ca 0.00 -0.69 -0.10 0.00 0.31 0.00 0.00 61.69 61.22 1nfy s THR 206 Cb 0.00 -1.31 -0.05 0.00 0.01 0.00 0.00 72.50 71.15 1nfy s THR 206 CO 0.00 0.43 0.14 -0.31 -0.69 0.00 0.00 174.62 174.19 1nfy s TYR 207 N 0.48 3.27 -0.06 4.92 1.51 -1.26 -0.53 117.35 125.68 1nfy s TYR 207 Ca -0.15 0.11 0.01 0.00 -1.01 0.00 0.00 57.07 56.03 1nfy s TYR 207 Cb -0.16 -2.24 -0.03 0.00 -0.11 0.00 0.00 41.96 39.41 1nfy s TYR 207 CO 0.05 0.01 -0.05 -0.06 -1.11 0.00 0.00 175.55 174.39 1nfy s PHE 208 N 1.07 2.98 -0.03 2.71 0.08 -0.03 -2.25 117.98 122.52 1nfy s PHE 208 Ca 0.07 0.05 -0.30 0.00 0.12 0.00 0.00 56.93 56.87 1nfy s PHE 208 Cb -0.14 -1.71 -0.04 0.00 -0.57 0.00 0.00 43.02 40.56 1nfy s PHE 208 CO 0.04 0.37 1.22 0.54 -0.10 0.00 0.00 175.22 177.30 1nfy s VAL 209 N -0.86 4.17 0.00 -0.44 0.11 0.09 -0.13 120.40 123.33 1nfy s VAL 209 Ca 0.14 1.51 0.00 0.00 -2.93 0.00 0.00 61.98 60.70 1nfy s VAL 209 Cb -0.11 -3.97 0.00 0.00 -1.53 0.00 0.00 36.38 30.77 1nfy s VAL 209 CO 0.03 0.02 0.00 0.35 -3.33 0.00 0.00 175.10 172.16 1nfy n THR 210 N 4.51 0.00 -3.80 5.04 -2.24 0.67 -4.50 114.28 113.96 1nfy n THR 210 Ca 0.11 -0.47 -0.05 0.00 -2.27 0.00 0.00 64.05 61.37 1nfy n THR 210 Cb 0.46 0.97 -0.01 0.00 -2.10 0.00 0.00 70.33 69.65 1nfy n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1nfy s GLY 211 N -1.06 -0.09 -0.11 3.38 0.00 -0.55 -3.28 107.32 105.61 1nfy s GLY 211 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.61 1nfy s GLY 211 CO 0.00 0.29 -0.10 -0.42 0.00 0.00 0.00 173.10 172.86 1nfy s ILE 212 N -3.17 1.19 -0.24 0.90 1.01 -1.12 -2.12 121.20 117.66 1nfy s ILE 212 Ca 0.14 -0.42 -0.37 0.00 0.00 0.00 0.00 60.65 60.00 1nfy s ILE 212 Cb -0.03 -1.15 -0.13 0.00 0.01 0.00 0.00 42.46 41.16 1nfy s ILE 212 CO 0.05 0.39 1.92 0.52 0.00 0.00 0.00 174.94 177.81 1nfy n VAL 213 N 4.61 0.37 -0.00 2.92 0.31 -0.90 -1.20 118.33 124.43 1nfy n VAL 213 Ca -0.16 -0.13 -0.01 0.00 -0.01 0.00 0.00 64.34 64.04 1nfy n VAL 213 Cb 0.50 -1.56 -0.00 0.00 -0.91 0.00 0.00 33.84 31.87 1nfy n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1nfy n SER 214 N 7.05 0.19 -3.27 4.52 2.88 -0.94 -0.51 113.62 123.55 1nfy n SER 214 Ca 0.29 0.03 -0.09 0.00 -1.33 0.00 0.00 58.87 57.78 1nfy n SER 214 Cb 0.21 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 1nfy n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1nfy s TRP 215 N -1.18 0.07 0.01 0.66 1.48 -0.55 -4.88 118.94 114.56 1nfy s TRP 215 Ca -0.02 -0.66 -0.28 0.00 -1.06 0.00 0.00 56.10 54.08 1nfy s TRP 215 Cb 0.00 0.74 0.10 0.00 -1.16 0.00 0.00 33.47 33.15 1nfy s TRP 215 CO 0.03 -1.43 0.92 0.20 -4.06 0.00 0.00 176.95 172.60 1nfy s GLY 216 N -3.03 -0.42 -0.78 3.67 0.00 -1.26 -0.56 107.32 104.94 1nfy s GLY 216 Ca 0.15 0.88 -0.17 0.00 0.00 0.00 0.00 44.72 45.58 1nfy s GLY 216 CO 0.10 0.28 0.87 -0.54 0.00 0.00 0.00 173.10 173.82 1nfy s GLU 217 N -3.11 3.41 2.46 2.90 2.02 -1.26 -4.88 118.70 120.25 1nfy s GLU 217 Ca 0.07 -1.82 0.00 0.00 0.02 0.00 0.00 54.97 53.23 1nfy s GLU 217 Cb -0.01 -4.54 0.00 0.00 0.10 0.00 0.00 34.13 29.68 1nfy s GLU 217 CO -0.07 -1.55 0.00 0.41 0.02 0.00 0.00 175.26 174.07 1nfy n GLY 218 N 4.95 0.04 3.14 -1.39 0.00 -1.26 -4.61 105.19 106.05 1nfy n GLY 218 Ca 0.09 -1.24 -0.11 0.00 0.00 0.00 0.00 46.02 44.76 1nfy n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nfy n ALA 221 N 5.15 -0.44 -1.77 0.00 0.00 -1.26 -4.65 120.51 117.54 1nfy n ALA 221 Ca -0.11 0.27 -0.38 0.00 0.00 0.00 0.00 53.44 53.22 1nfy n ALA 221 Cb 0.50 -2.12 -0.01 0.00 0.00 0.00 0.00 19.45 17.82 1nfy n ALA 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1nfy s ARG 222 N -4.28 3.96 0.24 0.00 0.52 -1.26 -4.71 118.95 113.42 1nfy s ARG 222 Ca 0.00 1.93 -0.30 0.00 -0.52 0.00 0.00 55.73 56.83 1nfy s ARG 222 Cb 0.00 -2.64 -0.10 0.00 0.52 0.00 0.00 34.95 32.72 1nfy s ARG 222 CO 0.00 -0.43 1.49 0.15 0.02 0.00 0.00 175.30 176.53 1nfy s LYS 223 N -2.36 4.23 0.00 3.54 1.02 -1.26 -1.98 119.74 122.94 1nfy s LYS 223 Ca 0.58 2.36 0.00 0.00 0.02 0.00 0.00 55.97 58.93 1nfy s LYS 223 Cb -0.33 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 33.88 1nfy s LYS 223 CO 0.41 -0.49 0.00 0.41 -0.92 0.00 0.00 175.35 174.76 1nfy n GLY 223 N 2.44 0.52 3.26 -3.33 0.00 0.21 -4.99 105.19 103.30 1nfy n GLY 223 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 1nfy n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nfy s LYS 224 N -0.38 1.60 0.44 1.61 -0.14 -0.84 -4.75 119.74 117.28 1nfy s LYS 224 Ca 0.00 -0.92 0.06 0.00 -1.36 0.00 0.00 55.97 53.75 1nfy s LYS 224 Cb 0.00 -1.67 -0.05 0.00 -1.68 0.00 0.00 37.83 34.43 1nfy s LYS 224 CO 0.00 0.44 0.09 0.71 -0.76 0.00 0.00 175.35 175.83 1nfy s TYR 225 N -0.70 2.37 -0.08 3.18 2.02 -1.26 -4.55 117.35 118.33 1nfy s TYR 225 Ca 0.09 -0.70 -0.17 0.00 -0.37 0.00 0.00 57.07 55.91 1nfy s TYR 225 Cb -0.09 -1.82 -0.05 0.00 -0.40 0.00 0.00 41.96 39.60 1nfy s TYR 225 CO 0.01 0.26 0.47 0.20 -1.57 0.00 0.00 175.55 174.91 1nfy s GLY 226 N -3.84 2.43 -0.21 0.71 0.00 -0.39 -4.51 107.32 101.51 1nfy s GLY 226 Ca 0.32 -0.18 -0.07 0.00 0.00 0.00 0.00 44.72 44.78 1nfy s GLY 226 CO 0.17 0.62 0.07 -0.42 0.00 0.00 0.00 173.10 173.54 1nfy s ILE 227 N 0.16 4.59 0.14 0.90 -1.09 0.28 -1.06 121.20 125.12 1nfy s ILE 227 Ca 0.25 -0.09 0.10 0.00 -2.23 0.00 0.00 60.65 58.68 1nfy s ILE 227 Cb -0.16 -3.10 -0.04 0.00 -1.58 0.00 0.00 42.46 37.58 1nfy s ILE 227 CO 0.11 0.40 -0.21 -0.31 -1.23 0.00 0.00 174.94 173.71 1nfy s TYR 228 N 0.94 2.44 0.15 3.97 1.51 0.34 -1.48 117.35 125.22 1nfy s TYR 228 Ca 0.04 -0.31 -0.31 0.00 -1.01 0.00 0.00 57.07 55.48 1nfy s TYR 228 Cb -0.14 -1.28 -0.08 0.00 -0.11 0.00 0.00 41.96 40.35 1nfy s TYR 228 CO 0.03 0.41 1.37 0.99 -1.11 0.00 0.00 175.55 177.24 1nfy s THR 229 N -1.27 3.23 -1.02 -0.71 2.01 -0.34 -1.03 115.64 116.51 1nfy s THR 229 Ca 0.18 0.92 -0.23 0.00 0.31 0.00 0.00 61.69 62.88 1nfy s THR 229 Cb -0.10 -3.59 0.03 0.00 0.01 0.00 0.00 72.50 68.85 1nfy s THR 229 CO 0.09 0.09 1.59 -0.75 -0.69 0.00 0.00 174.62 174.95 1nfy s LYS 230 N 0.70 3.39 0.39 4.92 2.20 0.30 -2.79 119.74 128.86 1nfy s LYS 230 Ca 0.62 -1.03 0.14 0.00 -0.36 0.00 0.00 55.97 55.34 1nfy s LYS 230 Cb -0.37 -5.31 0.99 0.00 -1.51 0.00 0.00 37.83 31.62 1nfy s LYS 230 CO 0.33 -2.49 1.86 0.28 -0.36 0.00 0.00 175.35 174.97 1nfy h VAL 231 N 6.77 0.73 0.00 4.02 2.07 -1.87 -0.68 116.25 127.29 1nfy h VAL 231 Ca 0.20 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1nfy h VAL 231 Cb 1.00 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1nfy h VAL 231 CO 1.38 0.09 0.00 0.35 0.02 0.00 0.00 177.57 179.42 1nfy n THR 232 N -4.54 1.23 1.10 2.57 -2.24 -1.26 -0.92 114.28 110.21 1nfy n THR 232 Ca 0.19 0.54 0.12 0.00 -2.27 0.00 0.00 64.05 62.63 1nfy n THR 232 Cb 0.62 -1.50 0.27 0.00 -2.10 0.00 0.00 70.33 67.62 1nfy n THR 232 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nfy n ALA 233 N -1.68 3.43 -1.54 6.98 0.00 -0.26 -4.18 120.51 123.25 1nfy n ALA 233 Ca 0.00 -0.40 0.07 0.00 0.00 0.00 0.00 53.44 53.11 1nfy n ALA 233 Cb 0.08 -1.09 0.15 0.00 0.00 0.00 0.00 19.45 18.58 1nfy n ALA 233 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1nfy n PHE 234 N -1.09 0.00 -0.08 0.00 3.72 -0.10 -4.81 117.46 115.10 1nfy n PHE 234 Ca 0.08 -1.08 -0.06 0.00 -0.05 0.00 0.00 57.45 56.34 1nfy n PHE 234 Cb 0.35 -0.19 0.13 0.00 -0.94 0.00 0.00 39.48 38.83 1nfy n PHE 234 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1nfy h LEU 235 N 0.56 0.74 -0.47 4.37 3.38 -1.71 0.48 115.31 122.65 1nfy h LEU 235 Ca -0.03 -0.23 -0.17 0.00 0.09 0.00 0.00 57.88 57.54 1nfy h LEU 235 Cb 1.13 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1nfy h LEU 235 CO 0.01 0.90 -0.66 0.11 0.09 0.00 0.00 178.44 178.88 1nfy h LYS 236 N 0.67 0.43 -0.33 1.13 1.79 -1.92 -0.80 116.57 117.53 1nfy h LYS 236 Ca 0.11 -0.32 -0.03 0.00 -2.18 0.00 0.00 60.65 58.23 1nfy h LYS 236 Cb 0.62 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.32 1nfy h LYS 236 CO 0.04 0.94 0.08 2.35 -1.08 0.00 0.00 179.45 181.78 1nfy h TRP 237 N 0.30 0.56 -0.38 -1.35 7.01 -1.83 -0.76 115.95 119.51 1nfy h TRP 237 Ca -0.02 -0.07 -0.02 0.00 2.11 0.00 0.00 58.89 60.89 1nfy h TRP 237 Cb 1.22 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 28.11 1nfy h TRP 237 CO 0.04 0.58 0.14 0.82 -2.79 0.00 0.00 178.44 177.23 1nfy h ILE 238 N 0.38 1.20 -0.74 2.65 2.04 -0.84 -0.83 117.51 121.37 1nfy h ILE 238 Ca 0.10 -0.63 0.06 0.00 1.00 0.00 0.00 64.86 65.39 1nfy h ILE 238 Cb 0.31 0.91 -0.06 0.00 -0.74 0.00 0.00 36.82 37.24 1nfy h ILE 238 CO 0.00 0.22 0.43 -0.78 0.00 0.00 0.00 178.15 178.03 1nfy h ASP 239 N 0.46 0.66 -0.10 1.72 1.82 -0.95 -0.78 116.42 119.26 1nfy h ASP 239 Ca 0.12 0.02 -0.02 0.00 -0.39 0.00 0.00 57.03 56.76 1nfy h ASP 239 Cb 0.21 -0.11 -0.00 0.00 0.68 0.00 0.00 39.33 40.11 1nfy h ASP 239 CO -0.01 0.43 -0.03 0.03 -1.61 0.00 0.00 179.24 178.06 1nfy h ARG 240 N 0.80 0.20 -0.30 0.28 3.08 -0.87 -3.09 114.38 114.48 1nfy h ARG 240 Ca 0.32 -0.08 0.04 0.00 0.07 0.00 0.00 59.98 60.34 1nfy h ARG 240 Cb 0.17 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1nfy h ARG 240 CO -0.17 0.51 0.20 0.77 -1.07 0.00 0.00 179.97 180.21 1nfy h SER 241 N -0.13 0.21 -0.01 7.04 0.02 -0.77 -1.73 113.55 118.19 1nfy h SER 241 Ca 0.03 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1nfy h SER 241 Cb 0.44 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1nfy h SER 241 CO 0.01 0.14 0.00 0.23 -1.14 0.00 0.00 176.83 176.07 1nfy n MET 242 N -4.49 1.02 -2.59 3.45 2.81 -0.33 -3.07 117.12 113.92 1nfy n MET 242 Ca 0.03 -0.03 -0.09 0.00 -1.81 0.00 0.00 57.70 55.80 1nfy n MET 242 Cb 0.19 -1.08 0.04 0.00 -0.71 0.00 0.00 33.22 31.67 1nfy n MET 242 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1nfy n LYS 243 N -0.41 2.23 0.00 0.03 5.02 -0.65 -5.07 118.16 119.30 1nfy n LYS 243 Ca 0.00 -3.70 0.00 0.00 -2.02 0.00 0.00 58.31 52.59 1nfy n LYS 243 Cb 0.04 -1.76 0.00 0.00 -0.02 0.00 0.00 35.03 33.29 1nfy n LYS 243 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13