#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nfu s VAL 17 N 0.00 5.26 0.00 1.39 1.01 0.14 -4.20 120.40 123.99 1nfu s VAL 17 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1nfu s VAL 17 Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1nfu s VAL 17 CO 0.00 0.25 0.00 0.61 0.00 0.00 0.00 175.10 175.96 1nfu n GLY 18 N 4.49 0.14 7.00 4.51 0.00 -1.26 -1.91 105.19 118.16 1nfu n GLY 18 Ca -0.11 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1nfu n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nfu n GLY 19 N 0.00 -0.69 3.61 -0.02 0.00 -1.26 -4.91 105.19 101.91 1nfu n GLY 19 Ca 0.00 -0.88 -0.28 0.00 0.00 0.00 0.00 46.02 44.86 1nfu n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nfu s GLN 20 N 0.00 1.95 0.25 1.61 -1.52 -0.08 -4.96 119.66 116.92 1nfu s GLN 20 Ca 0.00 -2.15 -0.30 0.00 -1.95 0.00 0.00 55.36 50.97 1nfu s GLN 20 Cb 0.00 -1.38 -0.09 0.00 -0.22 0.00 0.00 33.01 31.32 1nfu s GLN 20 CO 0.00 -0.18 0.97 -2.00 -0.25 0.00 0.00 175.29 173.83 1nfu s GLU 21 N -3.79 4.80 -0.03 2.91 2.12 -1.26 0.03 118.70 123.48 1nfu s GLU 21 Ca 0.28 1.55 -0.30 0.00 0.36 0.00 0.00 54.97 56.85 1nfu s GLU 21 Cb 0.07 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 31.18 1nfu s GLU 21 CO 0.14 0.45 1.22 0.00 -0.54 0.00 0.00 175.26 176.53 1nfu s LYS 23 N 2.05 2.06 -0.32 0.00 -0.14 -1.26 -4.91 119.74 117.23 1nfu s LYS 23 Ca 0.57 -0.37 -0.41 0.00 -1.36 0.00 0.00 55.97 54.40 1nfu s LYS 23 Cb -0.26 -2.18 -0.16 0.00 -1.68 0.00 0.00 37.83 33.55 1nfu s LYS 23 CO 0.24 -1.31 1.74 -3.47 -0.76 0.00 0.00 175.35 171.78 1nfu n ASP 24 N -2.94 2.22 -0.30 2.83 2.03 -1.26 -1.10 116.55 118.03 1nfu n ASP 24 Ca 0.09 1.08 -0.04 0.00 0.52 0.00 0.00 54.79 56.44 1nfu n ASP 24 Cb 0.60 -1.10 -0.02 0.00 -0.72 0.00 0.00 41.12 39.88 1nfu n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nfu n GLY 25 N 4.25 0.64 0.08 0.27 0.00 -1.26 -4.93 105.19 104.24 1nfu n GLY 25 Ca 0.28 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 1nfu n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1nfu h GLU 26 N 0.32 0.04 -2.09 1.61 5.08 -1.46 -3.40 114.58 114.67 1nfu h GLU 26 Ca -0.08 -0.06 -0.53 0.00 -1.00 0.00 0.00 59.36 57.69 1nfu h GLU 26 Cb 0.45 0.02 -0.41 0.00 0.50 0.00 0.00 28.75 29.32 1nfu h GLU 26 CO 0.12 0.67 -0.92 0.00 -1.00 0.00 0.00 179.01 177.88 1nfu h PRO 28 N 2.98 0.00 -0.01 0.00 0.13 -1.80 -2.71 132.00 130.59 1nfu h PRO 28 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1nfu h PRO 28 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1nfu h PRO 28 CO 0.66 0.00 -0.04 -2.67 -0.23 0.00 0.00 178.00 175.72 1nfu n TRP 29 N -3.03 0.00 -2.21 1.56 2.14 -1.01 -1.89 117.44 113.00 1nfu n TRP 29 Ca -0.01 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.14 1nfu n TRP 29 Cb 0.16 -0.03 -0.03 0.00 -0.81 0.00 0.00 31.31 30.61 1nfu n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1nfu s GLN 30 N -2.09 4.35 0.21 -2.67 2.00 -1.02 0.17 119.66 120.60 1nfu s GLN 30 Ca 0.37 2.04 0.11 0.00 -2.00 0.00 0.00 55.36 55.87 1nfu s GLN 30 Cb 0.21 -3.25 -0.05 0.00 0.80 0.00 0.00 33.01 30.72 1nfu s GLN 30 CO 0.37 -0.38 -0.21 0.00 -0.50 0.00 0.00 175.29 174.57 1nfu s ALA 31 N 0.90 2.44 -0.14 1.58 0.00 -0.55 -4.39 121.76 121.59 1nfu s ALA 31 Ca 0.62 -1.67 -0.02 0.00 0.00 0.00 0.00 51.96 50.89 1nfu s ALA 31 Cb -0.36 -0.26 0.05 0.00 0.00 0.00 0.00 23.12 22.55 1nfu s ALA 31 CO 0.32 0.32 0.01 -1.17 0.00 0.00 0.00 175.76 175.23 1nfu s LEU 32 N -2.95 1.02 -0.01 0.00 2.96 0.06 -2.09 118.68 117.67 1nfu s LEU 32 Ca 0.22 -0.52 -0.30 0.00 -0.22 0.00 0.00 54.13 53.31 1nfu s LEU 32 Cb -0.06 -0.58 -0.04 0.00 0.50 0.00 0.00 46.19 46.00 1nfu s LEU 32 CO 0.10 -0.25 1.15 -0.76 -1.32 0.00 0.00 176.35 175.28 1nfu s LEU 33 N 1.87 4.33 0.05 -0.68 1.43 -0.57 -0.64 118.68 124.46 1nfu s LEU 33 Ca 0.02 1.85 0.09 0.00 -1.03 0.00 0.00 54.13 55.05 1nfu s LEU 33 Cb -0.15 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 1nfu s LEU 33 CO -0.07 -0.48 -0.24 0.27 0.23 0.00 0.00 176.35 176.06 1nfu s ILE 34 N 1.57 2.31 0.62 -0.59 -4.36 0.49 -1.62 121.20 119.62 1nfu s ILE 34 Ca 0.56 -1.36 -0.03 0.00 -0.26 0.00 0.00 60.65 59.56 1nfu s ILE 34 Cb -0.25 -1.93 0.13 0.00 1.25 0.00 0.00 42.46 41.66 1nfu s ILE 34 CO 0.25 0.34 0.85 -0.46 0.24 0.00 0.00 174.94 176.17 1nfu n ASN 35 N 1.66 0.86 -0.08 4.36 0.23 -0.48 -1.28 115.26 120.54 1nfu n ASN 35 Ca -0.17 -1.79 0.26 0.00 -0.53 0.00 0.00 54.58 52.35 1nfu n ASN 35 Cb 0.52 -0.58 0.71 0.00 -2.08 0.00 0.00 39.78 38.36 1nfu n ASN 35 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1nfu h GLU 36 N 0.00 0.00 -0.64 -3.83 5.08 -1.90 0.35 114.58 113.64 1nfu h GLU 36 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1nfu h GLU 36 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1nfu h GLU 36 CO 0.27 0.00 0.00 -1.91 -1.00 0.00 0.00 179.01 176.37 1nfu n GLU 37 N -3.95 3.79 -1.63 2.33 2.13 -1.26 -4.93 120.64 117.12 1nfu n GLU 37 Ca 0.15 -2.57 -0.20 0.00 0.66 0.00 0.00 57.16 55.20 1nfu n GLU 37 Cb 0.89 -1.96 -0.08 0.00 0.27 0.00 0.00 31.44 30.55 1nfu n GLU 37 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1nfu n ASN 38 N 0.77 -5.44 -4.84 4.31 5.15 0.12 -4.98 115.26 110.36 1nfu n ASN 38 Ca 0.23 0.46 -0.37 0.00 -0.60 0.00 0.00 54.58 54.30 1nfu n ASN 38 Cb 0.91 -4.69 -0.06 0.00 -0.53 0.00 0.00 39.78 35.40 1nfu n ASN 38 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1nfu s GLU 39 N -3.79 3.77 0.16 1.20 2.12 -1.26 -4.79 118.70 116.11 1nfu s GLU 39 Ca 0.00 0.11 -0.30 0.00 0.36 0.00 0.00 54.97 55.14 1nfu s GLU 39 Cb 0.00 -3.24 -0.07 0.00 0.26 0.00 0.00 34.13 31.07 1nfu s GLU 39 CO 0.00 0.65 1.11 0.20 -0.54 0.00 0.00 175.26 176.68 1nfu s GLY 40 N -0.78 2.79 0.00 -1.50 0.00 -1.26 -1.37 107.32 105.20 1nfu s GLY 40 Ca 0.18 0.81 0.00 0.00 0.00 0.00 0.00 44.72 45.71 1nfu s GLY 40 CO 0.07 1.71 0.00 1.97 0.00 0.00 0.00 173.10 176.85 1nfu n PHE 41 N 2.61 0.00 -3.87 1.90 1.16 -0.64 -4.96 117.46 113.66 1nfu n PHE 41 Ca 0.04 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.53 1nfu n PHE 41 Cb 0.46 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.29 1nfu n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1nfu n GLY 43 N -0.39 2.81 3.74 0.00 0.00 0.14 -1.51 105.19 109.98 1nfu n GLY 43 Ca -0.05 -2.29 -0.04 0.00 0.00 0.00 0.00 46.02 43.64 1nfu n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nfu s GLY 44 N -3.89 -0.25 -0.05 -0.02 0.00 -0.89 -3.50 107.32 98.72 1nfu s GLY 44 Ca 0.26 0.18 0.04 0.00 0.00 0.00 0.00 44.72 45.20 1nfu s GLY 44 CO 0.17 0.02 -0.16 -1.59 0.00 0.00 0.00 173.10 171.54 1nfu s THR 45 N -3.29 1.38 -0.09 0.90 2.01 0.96 -1.48 115.64 116.03 1nfu s THR 45 Ca 0.12 -0.67 -0.30 0.00 0.31 0.00 0.00 61.69 61.15 1nfu s THR 45 Cb -0.01 -1.21 -0.03 0.00 0.01 0.00 0.00 72.50 71.26 1nfu s THR 45 CO 0.01 0.40 1.21 -0.63 -0.69 0.00 0.00 174.62 174.93 1nfu s ILE 46 N 0.25 4.27 -0.15 1.82 1.01 0.13 -0.17 121.20 128.36 1nfu s ILE 46 Ca -0.08 1.58 0.17 0.00 0.00 0.00 0.00 60.65 62.32 1nfu s ILE 46 Cb -0.13 -4.02 -0.24 0.00 0.01 0.00 0.00 42.46 38.08 1nfu s ILE 46 CO 0.03 -0.04 0.13 0.18 0.00 0.00 0.00 174.94 175.24 1nfu n LEU 47 N 5.63 0.00 -3.91 2.97 4.77 -0.01 -1.77 117.00 124.67 1nfu n LEU 47 Ca 0.12 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.09 1nfu n LEU 47 Cb 0.46 0.36 0.01 0.00 -2.33 0.00 0.00 43.42 41.92 1nfu n LEU 47 CO 0.55 0.36 0.93 -0.94 -1.33 0.00 0.00 177.39 176.97 1nfu s SER 48 N -5.04 -0.00 0.53 -1.43 1.04 -1.13 -4.70 113.70 102.96 1nfu s SER 48 Ca -0.09 -0.47 0.22 0.00 0.48 0.00 0.00 55.95 56.10 1nfu s SER 48 Cb 0.07 0.35 1.37 0.00 0.10 0.00 0.00 66.02 67.91 1nfu s SER 48 CO 0.76 -0.69 2.07 1.05 0.98 0.00 0.00 173.24 177.41 1nfu h GLU 49 N 2.00 0.00 0.00 4.02 4.11 -1.98 -2.91 114.58 119.82 1nfu h GLU 49 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.17 1nfu h GLU 49 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1nfu h GLU 49 CO 0.34 0.00 -1.39 1.19 0.07 0.00 0.00 179.01 179.21 1nfu n PHE 50 N -4.39 0.00 -5.12 2.06 3.72 -1.26 -0.09 117.46 112.38 1nfu n PHE 50 Ca 0.04 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.12 1nfu n PHE 50 Cb 0.36 -0.24 -0.15 0.00 -0.94 0.00 0.00 39.48 38.51 1nfu n PHE 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1nfu s TYR 51 N -2.87 2.54 -0.05 1.38 2.02 -1.10 -0.55 117.35 118.72 1nfu s TYR 51 Ca -0.02 -0.56 0.05 0.00 -0.37 0.00 0.00 57.07 56.17 1nfu s TYR 51 Cb 0.10 -1.63 -0.02 0.00 -0.40 0.00 0.00 41.96 40.01 1nfu s TYR 51 CO 0.63 -0.11 -0.20 0.42 -1.57 0.00 0.00 175.55 174.72 1nfu s ILE 52 N -0.26 2.50 -0.18 2.71 -1.09 -0.23 -0.83 121.20 123.82 1nfu s ILE 52 Ca 0.00 -0.92 -0.07 0.00 -2.23 0.00 0.00 60.65 57.43 1nfu s ILE 52 Cb -0.13 -1.94 -0.04 0.00 -1.58 0.00 0.00 42.46 38.77 1nfu s ILE 52 CO 0.03 0.58 0.07 -0.22 -1.23 0.00 0.00 174.94 174.16 1nfu s LEU 53 N -0.43 3.86 0.00 2.97 2.96 0.76 -0.17 118.68 128.63 1nfu s LEU 53 Ca 0.05 0.11 -0.00 0.00 -0.22 0.00 0.00 54.13 54.06 1nfu s LEU 53 Cb -0.12 -1.97 0.00 0.00 0.50 0.00 0.00 46.19 44.60 1nfu s LEU 53 CO 0.01 0.19 0.17 1.07 -1.32 0.00 0.00 176.35 176.47 1nfu n THR 54 N 3.46 0.00 -3.52 3.68 5.66 0.02 -0.03 114.28 123.55 1nfu n THR 54 Ca -0.17 -0.71 -0.38 0.00 -3.05 0.00 0.00 64.05 59.74 1nfu n THR 54 Cb 0.52 0.42 -0.06 0.00 -1.55 0.00 0.00 70.33 69.66 1nfu n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1nfu s ALA 55 N -2.12 3.70 0.38 1.79 0.00 -1.26 -1.19 121.76 123.07 1nfu s ALA 55 Ca 0.12 -0.26 0.24 0.00 0.00 0.00 0.00 51.96 52.06 1nfu s ALA 55 Cb -0.00 -2.36 1.27 0.00 0.00 0.00 0.00 23.12 22.02 1nfu s ALA 55 CO 0.08 0.46 2.01 0.00 0.00 0.00 0.00 175.76 178.31 1nfu h ALA 56 N 4.88 1.30 0.00 0.00 0.00 -1.72 -2.02 119.26 121.70 1nfu h ALA 56 Ca -0.51 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1nfu h ALA 56 Cb 1.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1nfu h ALA 56 CO 0.62 0.21 0.00 -2.39 0.00 0.00 0.00 179.25 177.69 1nfu n HIS 57 N -3.73 0.73 0.08 0.00 1.44 -1.26 -2.57 115.22 109.91 1nfu n HIS 57 Ca -0.02 0.25 -0.08 0.00 -2.01 0.00 0.00 57.72 55.86 1nfu n HIS 57 Cb 0.28 -0.91 0.02 0.00 0.12 0.00 0.00 29.99 29.50 1nfu n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1nfu n LEU 59 N -3.73 0.00 -0.00 0.00 4.77 -1.06 -0.44 117.00 116.54 1nfu n LEU 59 Ca -0.04 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.99 1nfu n LEU 59 Cb 0.76 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.79 1nfu n LEU 59 CO 0.47 0.00 -0.32 -1.22 -1.33 0.00 0.00 177.39 174.99 1nfu n TYR 60 N -0.81 0.00 1.49 -1.77 4.01 -1.06 -4.56 117.16 114.46 1nfu n TYR 60 Ca 0.02 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.91 1nfu n TYR 60 Cb 0.01 -0.11 0.74 0.00 -0.31 0.00 0.00 39.34 39.67 1nfu n TYR 60 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1nfu n GLN 61 N -1.52 0.56 -3.68 -0.72 7.27 0.42 -4.86 117.38 114.84 1nfu n GLN 61 Ca -0.00 -0.06 -0.14 0.00 0.07 0.00 0.00 57.00 56.87 1nfu n GLN 61 Cb 0.19 -1.50 -0.08 0.00 2.41 0.00 0.00 30.24 31.26 1nfu n GLN 61 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1nfu s ALA 61 N -2.48 -1.23 0.04 1.69 0.00 -1.26 -5.05 121.76 113.47 1nfu s ALA 61 Ca 0.31 1.15 -0.22 0.00 0.00 0.00 0.00 51.96 53.20 1nfu s ALA 61 Cb 0.20 -0.48 -0.15 0.00 0.00 0.00 0.00 23.12 22.70 1nfu s ALA 61 CO 0.45 -0.27 1.45 0.87 0.00 0.00 0.00 175.76 178.27 1nfu h LYS 62 N 4.60 0.18 -3.57 0.00 1.57 -1.92 -3.45 116.57 113.98 1nfu h LYS 62 Ca -0.28 -0.06 -0.19 0.00 -1.87 0.00 0.00 60.65 58.25 1nfu h LYS 62 Cb 1.17 -0.01 -0.25 0.00 0.08 0.00 0.00 32.23 33.21 1nfu h LYS 62 CO 0.27 0.46 -0.60 1.03 -0.57 0.00 0.00 179.45 180.03 1nfu s ARG 63 N -4.89 0.20 0.25 3.15 0.52 -1.26 -5.14 118.95 111.77 1nfu s ARG 63 Ca -0.14 -0.06 -0.09 0.00 -0.52 0.00 0.00 55.73 54.91 1nfu s ARG 63 Cb 0.05 0.08 -0.01 0.00 0.52 0.00 0.00 34.95 35.59 1nfu s ARG 63 CO 0.70 -0.03 0.40 -0.59 0.02 0.00 0.00 175.30 175.80 1nfu s PHE 64 N -0.39 0.60 0.20 -0.53 -0.71 -1.26 -3.46 117.98 112.43 1nfu s PHE 64 Ca -0.05 -0.92 0.00 0.00 -1.04 0.00 0.00 56.93 54.92 1nfu s PHE 64 Cb -0.03 0.00 -0.04 0.00 -1.21 0.00 0.00 43.02 41.74 1nfu s PHE 64 CO 0.00 -0.93 0.08 0.15 -1.34 0.00 0.00 175.22 173.18 1nfu s LYS 65 N -3.95 1.19 -0.19 1.99 1.02 -0.40 -4.54 119.74 114.85 1nfu s LYS 65 Ca 0.27 -1.61 -0.02 0.00 0.02 0.00 0.00 55.97 54.63 1nfu s LYS 65 Cb 0.01 0.01 -0.00 0.00 -0.52 0.00 0.00 37.83 37.32 1nfu s LYS 65 CO 0.11 -0.29 -0.09 0.08 -0.92 0.00 0.00 175.35 174.24 1nfu s VAL 66 N -3.92 3.07 -0.16 3.17 1.01 0.02 -0.38 120.40 123.21 1nfu s VAL 66 Ca 0.33 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 1nfu s VAL 66 Cb 0.07 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1nfu s VAL 66 CO 0.09 0.47 0.05 -0.60 0.00 0.00 0.00 175.10 175.11 1nfu s ARG 67 N 1.17 3.77 0.29 2.72 3.52 0.18 0.10 118.95 130.70 1nfu s ARG 67 Ca 0.02 -0.35 0.09 0.00 -0.13 0.00 0.00 55.73 55.36 1nfu s ARG 67 Cb -0.14 -3.12 -0.06 0.00 -1.56 0.00 0.00 34.95 30.07 1nfu s ARG 67 CO -0.03 0.37 -0.13 0.14 -0.81 0.00 0.00 175.30 174.85 1nfu s VAL 68 N 0.07 2.11 -0.06 7.11 -7.23 -0.16 -0.76 120.40 121.47 1nfu s VAL 68 Ca 0.05 -2.26 0.00 0.00 -1.81 0.00 0.00 61.98 57.96 1nfu s VAL 68 Cb -0.12 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.42 1nfu s VAL 68 CO 0.01 -0.35 0.00 0.61 -0.31 0.00 0.00 175.10 175.06 1nfu n GLY 69 N -0.62 0.39 3.78 2.32 0.00 -1.24 -1.34 105.19 108.48 1nfu n GLY 69 Ca -0.06 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 1nfu n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nfu s ASP 70 N -2.08 6.85 0.00 1.61 2.15 -1.26 -3.71 116.67 120.22 1nfu s ASP 70 Ca 0.00 1.01 0.00 0.00 0.43 0.00 0.00 52.55 53.99 1nfu s ASP 70 Cb 0.00 -2.30 0.00 0.00 -0.30 0.00 0.00 42.92 40.32 1nfu s ASP 70 CO 0.00 0.17 0.00 0.54 -0.17 0.00 0.00 175.17 175.71 1nfu n ARG 71 N 2.54 2.72 -3.46 4.34 1.74 -1.26 -4.83 116.66 118.45 1nfu n ARG 71 Ca -0.10 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.74 1nfu n ARG 71 Cb 0.52 -0.77 -0.12 0.00 -1.02 0.00 0.00 32.46 31.07 1nfu n ARG 71 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1nfu s ASN 72 N -1.15 2.61 0.00 0.55 3.04 -1.25 -1.08 114.94 117.66 1nfu s ASN 72 Ca 0.00 -1.38 0.00 0.00 0.04 0.00 0.00 52.86 51.52 1nfu s ASN 72 Cb 0.00 -0.01 0.00 0.00 -1.54 0.00 0.00 41.25 39.70 1nfu s ASN 72 CO 0.00 -0.38 0.14 0.35 -3.04 0.00 0.00 177.10 174.17 1nfu n THR 73 N 4.88 0.00 0.12 -5.21 -2.24 0.92 -2.02 114.28 110.73 1nfu n THR 73 Ca 0.01 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.80 1nfu n THR 73 Cb 0.42 -0.16 -0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1nfu n THR 73 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nfu n GLU 74 N 0.24 2.54 -4.23 -0.78 1.02 -1.26 -5.05 120.64 113.12 1nfu n GLU 74 Ca 0.00 -0.36 -0.17 0.00 -0.02 0.00 0.00 57.16 56.61 1nfu n GLU 74 Cb 0.05 -0.85 -0.08 0.00 -0.02 0.00 0.00 31.44 30.54 1nfu n GLU 74 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1nfu s GLN 75 N -0.70 1.64 -0.72 3.49 0.74 -0.86 -5.09 119.66 118.16 1nfu s GLN 75 Ca 0.02 -1.87 0.04 0.00 0.05 0.00 0.00 55.36 53.61 1nfu s GLN 75 Cb 0.02 0.33 0.23 0.00 1.10 0.00 0.00 33.01 34.69 1nfu s GLN 75 CO 0.07 -0.61 0.73 0.39 -0.55 0.00 0.00 175.29 175.32 1nfu n GLU 76 N -0.52 2.49 -0.48 1.67 -0.58 -1.26 -4.87 120.64 117.08 1nfu n GLU 76 Ca 0.05 -4.60 0.42 0.00 -0.42 0.00 0.00 57.16 52.61 1nfu n GLU 76 Cb 0.63 -2.30 0.77 0.00 -0.57 0.00 0.00 31.44 29.97 1nfu n GLU 76 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1nfu h GLU 77 N 4.78 0.01 0.00 3.49 4.81 -1.94 -3.45 114.58 122.28 1nfu h GLU 77 Ca 0.18 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1nfu h GLU 77 Cb 0.70 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1nfu h GLU 77 CO 0.84 0.01 0.00 0.41 -0.73 0.00 0.00 179.01 179.54 1nfu n GLY 78 N -1.82 1.49 0.00 1.92 0.00 -1.26 -4.93 105.19 100.60 1nfu n GLY 78 Ca 0.33 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.47 1nfu n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nfu n GLY 79 N -1.28 -1.13 3.77 -0.02 0.00 -1.26 -4.96 105.19 100.30 1nfu n GLY 79 Ca 0.00 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 1nfu n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nfu s GLU 80 N -3.00 3.51 -0.18 1.61 8.01 -1.24 -4.42 118.70 122.98 1nfu s GLU 80 Ca 0.10 1.76 -0.10 0.00 0.01 0.00 0.00 54.97 56.74 1nfu s GLU 80 Cb 0.17 -2.22 0.06 0.00 -4.31 0.00 0.00 34.13 27.83 1nfu s GLU 80 CO 0.78 -0.76 0.43 0.00 0.01 0.00 0.00 175.26 175.73 1nfu s ALA 81 N -1.60 -1.11 -0.08 5.21 0.00 -0.45 -4.98 121.76 118.75 1nfu s ALA 81 Ca 0.68 1.57 -0.10 0.00 0.00 0.00 0.00 51.96 54.11 1nfu s ALA 81 Cb -0.28 -0.95 -0.05 0.00 0.00 0.00 0.00 23.12 21.85 1nfu s ALA 81 CO 0.33 -0.27 0.25 0.08 0.00 0.00 0.00 175.76 176.15 1nfu s VAL 82 N 1.31 5.31 0.00 0.00 1.01 -1.26 -0.99 120.40 125.78 1nfu s VAL 82 Ca -0.09 0.47 0.04 0.00 0.00 0.00 0.00 61.98 62.40 1nfu s VAL 82 Cb -0.08 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 1nfu s VAL 82 CO -0.12 0.59 -0.13 -1.00 0.00 0.00 0.00 175.10 174.45 1nfu s HIS 83 N -0.96 1.12 0.27 5.22 3.76 0.12 -4.99 115.29 119.82 1nfu s HIS 83 Ca 0.18 -0.24 -0.11 0.00 -0.15 0.00 0.00 55.06 54.74 1nfu s HIS 83 Cb -0.14 -0.71 -0.08 0.00 1.11 0.00 0.00 32.58 32.77 1nfu s HIS 83 CO 0.08 -0.01 0.61 -1.21 -0.85 0.00 0.00 174.74 173.36 1nfu s GLU 84 N -0.47 3.85 -0.17 1.40 2.02 -1.26 -0.79 118.70 123.27 1nfu s GLU 84 Ca 0.04 0.38 -0.18 0.00 0.02 0.00 0.00 54.97 55.23 1nfu s GLU 84 Cb -0.05 -2.58 -0.04 0.00 0.10 0.00 0.00 34.13 31.56 1nfu s GLU 84 CO -0.00 0.25 0.49 0.08 0.02 0.00 0.00 175.26 176.10 1nfu s VAL 85 N -1.90 5.14 -0.13 2.63 1.01 -1.26 -0.99 120.40 124.91 1nfu s VAL 85 Ca 0.49 0.93 0.00 0.00 0.00 0.00 0.00 61.98 63.40 1nfu s VAL 85 Cb -0.11 -3.82 -0.24 0.00 0.00 0.00 0.00 36.38 32.21 1nfu s VAL 85 CO 0.21 0.24 0.33 1.21 0.00 0.00 0.00 175.10 177.09 1nfu n GLU 86 N 4.37 0.71 -3.82 2.72 2.13 0.18 -4.74 120.64 122.18 1nfu n GLU 86 Ca -0.06 0.24 -0.13 0.00 0.66 0.00 0.00 57.16 57.87 1nfu n GLU 86 Cb 0.51 -1.69 -0.14 0.00 0.27 0.00 0.00 31.44 30.39 1nfu n GLU 86 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1nfu s VAL 87 N -2.56 -0.02 -0.23 6.31 1.01 -0.77 -4.99 120.40 119.16 1nfu s VAL 87 Ca -0.19 0.07 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 1nfu s VAL 87 Cb 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 36.38 36.34 1nfu s VAL 87 CO 0.76 0.03 -0.03 -0.69 0.00 0.00 0.00 175.10 175.17 1nfu s VAL 88 N 0.38 3.49 -0.45 2.92 1.01 -1.26 -0.53 120.40 125.96 1nfu s VAL 88 Ca -0.03 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.49 1nfu s VAL 88 Cb -0.04 -2.60 0.12 0.00 0.00 0.00 0.00 36.38 33.86 1nfu s VAL 88 CO -0.01 0.40 0.21 -0.63 0.00 0.00 0.00 175.10 175.07 1nfu s ILE 89 N 1.49 2.91 0.06 2.22 1.01 0.97 -5.01 121.20 124.86 1nfu s ILE 89 Ca 0.06 -2.55 -0.02 0.00 0.00 0.00 0.00 60.65 58.14 1nfu s ILE 89 Cb -0.14 -3.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 1nfu s ILE 89 CO -0.02 -0.72 0.23 -0.75 0.00 0.00 0.00 174.94 173.68 1nfu s LYS 90 N 0.58 3.48 0.16 2.79 2.20 -1.26 0.33 119.74 128.01 1nfu s LYS 90 Ca 0.12 -0.35 -0.31 0.00 -0.36 0.00 0.00 55.97 55.07 1nfu s LYS 90 Cb -0.22 -3.02 -0.11 0.00 -1.51 0.00 0.00 37.83 32.97 1nfu s LYS 90 CO -0.04 0.60 1.72 -1.58 -0.36 0.00 0.00 175.35 175.68 1nfu s HIS 91 N -1.49 2.67 0.55 4.03 5.65 -0.80 -4.86 115.29 121.04 1nfu s HIS 91 Ca 0.34 0.29 0.25 0.00 0.25 0.00 0.00 55.06 56.20 1nfu s HIS 91 Cb -0.13 -4.09 1.46 0.00 -1.18 0.00 0.00 32.58 28.64 1nfu s HIS 91 CO 0.25 -4.26 2.04 -2.95 -0.65 0.00 0.00 174.74 169.17 1nfu h ASN 92 N 7.47 0.00 -0.62 9.88 7.08 -1.93 -2.28 115.58 135.17 1nfu h ASN 92 Ca -0.44 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.78 1nfu h ASN 92 Cb 1.21 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.45 1nfu h ASN 92 CO 0.94 0.00 0.00 0.54 -2.08 0.00 0.00 177.43 176.83 1nfu n ARG 93 N -4.19 3.61 -1.98 4.14 1.74 -1.26 -4.99 116.66 113.73 1nfu n ARG 93 Ca 0.06 -2.72 -0.42 0.00 -0.77 0.00 0.00 57.85 54.00 1nfu n ARG 93 Cb 0.47 -1.87 -0.02 0.00 -1.02 0.00 0.00 32.46 30.01 1nfu n ARG 93 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1nfu s PHE 94 N -1.84 3.02 -0.18 -1.55 5.36 -0.86 -4.67 117.98 117.26 1nfu s PHE 94 Ca 0.49 0.92 0.01 0.00 -0.96 0.00 0.00 56.93 57.39 1nfu s PHE 94 Cb 0.31 -3.85 0.03 0.00 -0.34 0.00 0.00 43.02 39.16 1nfu s PHE 94 CO 0.23 -2.88 -0.17 0.95 -1.46 0.00 0.00 175.22 171.90 1nfu s THR 95 N 0.28 1.87 0.47 0.12 -4.23 -0.81 -5.00 115.64 108.34 1nfu s THR 95 Ca 0.62 -0.89 0.17 0.00 -1.18 0.00 0.00 61.69 60.41 1nfu s THR 95 Cb -0.42 -1.75 0.22 0.00 1.34 0.00 0.00 72.50 71.89 1nfu s THR 95 CO 0.41 0.44 2.05 0.07 -0.54 0.00 0.00 174.62 177.05 1nfu h LYS 96 N 7.97 0.00 -0.63 3.99 2.10 -1.95 0.22 116.57 128.27 1nfu h LYS 96 Ca -0.40 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.18 1nfu h LYS 96 Cb 1.13 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.43 1nfu h LYS 96 CO 0.58 0.12 0.12 1.49 -2.00 0.00 0.00 179.45 179.76 1nfu h GLU 97 N 0.00 1.03 -0.00 0.07 4.57 -1.97 -3.33 114.58 114.94 1nfu h GLU 97 Ca -0.00 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 1nfu h GLU 97 Cb 0.23 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1nfu h GLU 97 CO 0.02 0.95 -0.14 0.25 -1.18 0.00 0.00 179.01 178.90 1nfu n THR 98 N -4.29 0.00 -1.91 0.32 -2.24 -1.13 -4.99 114.28 100.05 1nfu n THR 98 Ca 0.04 -0.43 -0.15 0.00 -2.27 0.00 0.00 64.05 61.24 1nfu n THR 98 Cb 0.27 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 69.52 1nfu n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1nfu n TYR 99 N -0.53 -0.40 -2.97 4.78 4.01 0.75 -4.98 117.16 117.82 1nfu n TYR 99 Ca 0.02 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.41 1nfu n TYR 99 Cb 0.11 -2.90 -0.06 0.00 -0.31 0.00 0.00 39.34 36.17 1nfu n TYR 99 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1nfu s ASP 100 N -2.55 7.03 -1.30 7.72 2.15 -1.21 -3.74 116.67 124.77 1nfu s ASP 100 Ca 0.00 1.55 -0.05 0.00 0.43 0.00 0.00 52.55 54.47 1nfu s ASP 100 Cb 0.00 -2.47 0.01 0.00 -0.30 0.00 0.00 42.92 40.16 1nfu s ASP 100 CO 0.00 -0.14 1.08 0.49 -0.17 0.00 0.00 175.17 176.43 1nfu n PHE 101 N 0.11 -2.54 -2.03 -5.34 3.01 -1.26 -1.91 117.46 107.49 1nfu n PHE 101 Ca 0.02 0.97 -0.42 0.00 1.01 0.00 0.00 57.45 59.03 1nfu n PHE 101 Cb 0.52 -4.98 0.00 0.00 -0.01 0.00 0.00 39.48 35.01 1nfu n PHE 101 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1nfu n ASP 102 N -3.06 4.47 -3.87 4.37 2.03 -1.24 -4.09 116.55 115.17 1nfu n ASP 102 Ca -0.12 -2.97 -0.11 0.00 0.52 0.00 0.00 54.79 52.10 1nfu n ASP 102 Cb 0.61 -1.57 -0.12 0.00 -0.72 0.00 0.00 41.12 39.31 1nfu n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1nfu s ILE 103 N 1.83 0.04 -0.09 5.18 2.07 -1.26 -4.06 121.20 124.91 1nfu s ILE 103 Ca 0.43 -0.30 -0.17 0.00 -1.41 0.00 0.00 60.65 59.21 1nfu s ILE 103 Cb 0.12 -0.22 0.04 0.00 0.13 0.00 0.00 42.46 42.52 1nfu s ILE 103 CO -0.04 -0.16 0.41 0.00 -1.91 0.00 0.00 174.94 173.23 1nfu s ALA 104 N -0.51 -1.03 -0.05 1.50 0.00 -0.33 -1.90 121.76 119.44 1nfu s ALA 104 Ca -0.06 0.85 0.06 0.00 0.00 0.00 0.00 51.96 52.82 1nfu s ALA 104 Cb -0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.78 1nfu s ALA 104 CO 0.00 -0.25 -0.24 0.08 0.00 0.00 0.00 175.76 175.35 1nfu s VAL 105 N -0.60 2.16 -0.13 0.00 1.01 0.15 -0.80 120.40 122.20 1nfu s VAL 105 Ca -0.07 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 60.88 1nfu s VAL 105 Cb -0.04 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 1nfu s VAL 105 CO 0.03 0.57 -0.15 -0.76 0.00 0.00 0.00 175.10 174.79 1nfu s LEU 106 N -0.30 2.58 -0.25 3.92 1.43 0.77 -0.02 118.68 126.80 1nfu s LEU 106 Ca 0.01 -0.39 -0.10 0.00 -1.03 0.00 0.00 54.13 52.62 1nfu s LEU 106 Cb -0.13 -1.57 -0.05 0.00 0.03 0.00 0.00 46.19 44.48 1nfu s LEU 106 CO 0.02 0.15 0.15 -0.60 0.23 0.00 0.00 176.35 176.31 1nfu s ARG 107 N 0.42 3.99 0.33 1.70 3.52 0.31 -1.07 118.95 128.14 1nfu s ARG 107 Ca -0.11 -0.31 -0.20 0.00 -0.13 0.00 0.00 55.73 54.97 1nfu s ARG 107 Cb -0.16 -3.52 -0.10 0.00 -1.56 0.00 0.00 34.95 29.61 1nfu s ARG 107 CO 0.05 -0.01 0.84 -0.51 -0.81 0.00 0.00 175.30 174.86 1nfu s LEU 108 N 1.25 4.16 0.13 -0.88 1.43 0.29 0.48 118.68 125.54 1nfu s LEU 108 Ca 0.07 1.56 -0.16 0.00 -1.03 0.00 0.00 54.13 54.56 1nfu s LEU 108 Cb -0.14 -4.08 -0.01 0.00 0.03 0.00 0.00 46.19 41.99 1nfu s LEU 108 CO 0.06 -0.16 1.69 0.11 0.23 0.00 0.00 176.35 178.28 1nfu h LYS 109 N 2.65 0.57 -6.68 1.70 1.57 -1.36 -3.42 116.57 111.60 1nfu h LYS 109 Ca -0.48 -0.09 -0.69 0.00 -1.87 0.00 0.00 60.65 57.52 1nfu h LYS 109 Cb 1.18 -0.10 -0.24 0.00 0.08 0.00 0.00 32.23 33.16 1nfu h LYS 109 CO 0.64 0.52 -0.84 0.95 -0.57 0.00 0.00 179.45 180.15 1nfu s THR 110 N -5.62 2.49 0.52 -0.16 -4.23 -1.26 -5.01 115.64 102.36 1nfu s THR 110 Ca -0.13 -1.33 -0.22 0.00 -1.18 0.00 0.00 61.69 58.82 1nfu s THR 110 Cb 0.10 -2.03 -0.06 0.00 1.34 0.00 0.00 72.50 71.85 1nfu s THR 110 CO 0.75 0.31 1.30 -2.16 -0.54 0.00 0.00 174.62 174.28 1nfu s PRO 111 N -1.45 3.34 -0.01 3.99 0.04 -1.26 -4.89 135.00 134.76 1nfu s PRO 111 Ca 0.14 2.09 -0.26 0.00 0.04 0.00 0.00 61.00 63.01 1nfu s PRO 111 Cb -0.10 -2.31 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 1nfu s PRO 111 CO 0.04 -0.99 0.81 0.42 0.04 0.00 0.00 177.00 177.33 1nfu s ILE 112 N -1.38 4.88 -0.37 0.56 1.01 0.87 -5.01 121.20 121.77 1nfu s ILE 112 Ca 0.69 1.70 -0.17 0.00 0.00 0.00 0.00 60.65 62.87 1nfu s ILE 112 Cb -0.37 -4.15 -0.00 0.00 0.01 0.00 0.00 42.46 37.95 1nfu s ILE 112 CO 0.44 0.26 0.43 -0.89 0.00 0.00 0.00 174.94 175.18 1nfu s THR 113 N 0.58 5.09 0.32 2.92 2.01 -1.26 -4.68 115.64 120.62 1nfu s THR 113 Ca 0.42 0.03 -0.29 0.00 0.31 0.00 0.00 61.69 62.16 1nfu s THR 113 Cb -0.20 -3.93 -0.10 0.00 0.01 0.00 0.00 72.50 68.28 1nfu s THR 113 CO 0.23 -0.23 1.28 -0.36 -0.69 0.00 0.00 174.62 174.85 1nfu s PHE 114 N 2.18 3.14 0.00 4.92 0.08 -1.26 -4.94 117.98 122.10 1nfu s PHE 114 Ca 0.14 1.44 0.00 0.00 0.12 0.00 0.00 56.93 58.63 1nfu s PHE 114 Cb -0.16 -3.62 0.00 0.00 -0.57 0.00 0.00 43.02 38.67 1nfu s PHE 114 CO 0.13 -1.67 0.00 2.89 -0.10 0.00 0.00 175.22 176.47 1nfu n ARG 115 N 0.98 0.00 -2.00 0.44 1.85 -0.43 -5.01 116.66 112.49 1nfu n ARG 115 Ca 0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.44 1nfu n ARG 115 Cb 0.42 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.81 1nfu n ARG 115 CO 0.00 0.00 0.00 1.41 -0.01 0.00 0.00 177.63 179.03 1nfu s MET 116 N 0.89 4.26 -0.45 2.89 -2.45 -1.26 -1.93 119.30 121.25 1nfu s MET 116 Ca 0.00 2.30 0.00 0.00 -1.25 0.00 0.00 55.69 56.74 1nfu s MET 116 Cb 0.00 -3.14 0.00 0.00 1.25 0.00 0.00 34.83 32.94 1nfu s MET 116 CO 0.00 -0.48 0.00 0.09 1.05 0.00 0.00 175.02 175.68 1nfu n ASN 117 N 3.01 -4.43 -3.42 1.11 3.02 -1.26 -4.93 115.26 108.36 1nfu n ASN 117 Ca 0.09 0.10 -0.20 0.00 -0.03 0.00 0.00 54.58 54.55 1nfu n ASN 117 Cb 0.40 -2.30 -0.10 0.00 -0.61 0.00 0.00 39.78 37.16 1nfu n ASN 117 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1nfu s VAL 118 N -1.85 -0.30 0.07 2.41 1.01 -0.81 -3.62 120.40 117.31 1nfu s VAL 118 Ca 0.00 -0.71 -0.18 0.00 0.00 0.00 0.00 61.98 61.09 1nfu s VAL 118 Cb 0.00 -0.94 0.04 0.00 0.00 0.00 0.00 36.38 35.48 1nfu s VAL 118 CO 0.00 -0.57 0.41 0.00 0.00 0.00 0.00 175.10 174.94 1nfu s ALA 119 N 2.06 -0.99 0.46 5.51 0.00 -0.79 -1.31 121.76 126.69 1nfu s ALA 119 Ca 0.11 0.21 -0.09 0.00 0.00 0.00 0.00 51.96 52.19 1nfu s ALA 119 Cb -0.15 0.44 -0.05 0.00 0.00 0.00 0.00 23.12 23.36 1nfu s ALA 119 CO -0.26 -0.51 0.81 -1.25 0.00 0.00 0.00 175.76 174.55 1nfu s PRO 120 N -2.86 3.67 0.10 0.00 0.04 -1.26 -2.41 135.00 132.29 1nfu s PRO 120 Ca -0.03 0.40 -0.06 0.00 0.04 0.00 0.00 61.00 61.35 1nfu s PRO 120 Cb -0.00 -2.35 -0.05 0.00 0.04 0.00 0.00 34.50 32.14 1nfu s PRO 120 CO -0.05 -0.16 0.36 0.00 0.04 0.00 0.00 177.00 177.19 1nfu s ALA 121 N -2.61 3.79 0.32 8.56 0.00 -0.73 -4.85 121.76 126.23 1nfu s ALA 121 Ca 0.50 -0.52 -0.26 0.00 0.00 0.00 0.00 51.96 51.68 1nfu s ALA 121 Cb -0.10 -2.15 -0.10 0.00 0.00 0.00 0.00 23.12 20.77 1nfu s ALA 121 CO 0.39 0.65 0.93 0.00 0.00 0.00 0.00 175.76 177.73 1nfu s LEU 123 N -2.03 4.14 0.00 0.00 1.43 -1.26 -0.61 118.68 120.34 1nfu s LEU 123 Ca 0.50 0.46 -0.06 0.00 -1.03 0.00 0.00 54.13 53.99 1nfu s LEU 123 Cb -0.19 -2.47 0.15 0.00 0.03 0.00 0.00 46.19 43.71 1nfu s LEU 123 CO 0.24 -0.08 0.96 -0.81 0.23 0.00 0.00 176.35 176.88 1nfu n PRO 124 N 4.58 -0.49 -3.68 1.29 -0.04 -1.26 -4.99 135.00 130.40 1nfu n PRO 124 Ca -0.09 -2.01 -0.37 0.00 -0.04 0.00 0.00 63.50 61.00 1nfu n PRO 124 Cb 0.51 -0.82 -0.06 0.00 -0.04 0.00 0.00 33.50 33.09 1nfu n PRO 124 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1nfu s GLU 124 N -5.00 3.68 0.07 0.54 2.12 -1.26 -4.99 118.70 113.86 1nfu s GLU 124 Ca 0.59 0.13 -0.26 0.00 0.36 0.00 0.00 54.97 55.78 1nfu s GLU 124 Cb -0.02 -3.17 -0.12 0.00 0.26 0.00 0.00 34.13 31.08 1nfu s GLU 124 CO 0.40 0.71 1.41 -0.09 -0.54 0.00 0.00 175.26 177.15 1nfu h ARG 125 N 4.62 -0.60 -0.32 4.30 1.12 -1.98 -0.33 114.38 121.19 1nfu h ARG 125 Ca -0.52 0.04 0.07 0.00 -1.11 0.00 0.00 59.98 58.46 1nfu h ARG 125 Cb 1.22 0.14 -0.07 0.00 -0.01 0.00 0.00 29.97 31.24 1nfu h ARG 125 CO 0.61 -0.40 -0.15 -0.44 -3.11 0.00 0.00 179.97 176.48 1nfu h ASP 126 N -0.63 -0.51 -0.58 -3.80 3.32 -1.96 -0.98 116.42 111.29 1nfu h ASP 126 Ca -0.02 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1nfu h ASP 126 Cb 0.59 0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.39 1nfu h ASP 126 CO -0.15 -0.18 0.30 -0.25 -1.72 0.00 0.00 179.24 177.24 1nfu h TRP 127 N -0.10 0.81 0.25 4.55 7.01 -1.97 -2.34 115.95 124.15 1nfu h TRP 127 Ca 0.16 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.12 1nfu h TRP 127 Cb 0.35 -0.26 0.00 0.00 -2.10 0.00 0.00 29.16 27.15 1nfu h TRP 127 CO -0.36 0.60 -0.12 0.00 -2.79 0.00 0.00 178.44 175.78 1nfu h ALA 128 N 1.13 -0.34 -0.22 2.65 0.00 -0.52 0.40 119.26 122.37 1nfu h ALA 128 Ca 0.20 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1nfu h ALA 128 Cb 0.07 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1nfu h ALA 128 CO -0.03 -0.67 -0.18 0.93 0.00 0.00 0.00 179.25 179.30 1nfu h GLU 129 N -0.38 0.38 0.00 0.00 5.08 -1.21 0.35 114.58 118.81 1nfu h GLU 129 Ca -0.03 -0.11 -0.20 0.00 -1.00 0.00 0.00 59.36 58.01 1nfu h GLU 129 Cb 0.29 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1nfu h GLU 129 CO 0.06 0.55 -1.59 -1.13 -1.00 0.00 0.00 179.01 175.90 1nfu n SER 130 N -4.19 0.73 -0.03 1.42 3.41 -0.88 -4.24 113.62 109.83 1nfu n SER 130 Ca -0.00 0.33 -0.03 0.00 -0.26 0.00 0.00 58.87 58.90 1nfu n SER 130 Cb 0.34 0.31 -0.04 0.00 -0.26 0.00 0.00 64.21 64.56 1nfu n SER 130 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1nfu n THR 131 N -2.86 0.36 -0.07 6.66 -1.04 0.14 -4.54 114.28 112.93 1nfu n THR 131 Ca -0.13 -0.18 -0.09 0.00 -2.04 0.00 0.00 64.05 61.61 1nfu n THR 131 Cb 0.89 -0.80 -0.06 0.00 -1.82 0.00 0.00 70.33 68.54 1nfu n THR 131 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1nfu h LEU 131 N 0.00 0.00 0.00 -4.42 4.07 -0.46 -3.37 115.31 111.13 1nfu h LEU 131 Ca -0.14 -0.38 0.00 0.00 0.08 0.00 0.00 57.88 57.44 1nfu h LEU 131 Cb 1.27 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.01 1nfu h LEU 131 CO -0.01 0.87 0.00 0.23 -1.08 0.00 0.00 178.44 178.46 1nfu n MET 131 N -4.64 0.69 -0.27 1.13 2.81 0.83 -1.48 117.12 116.19 1nfu n MET 131 Ca -0.10 0.00 0.09 0.00 -1.81 0.00 0.00 57.70 55.88 1nfu n MET 131 Cb 0.31 -1.44 0.24 0.00 -0.71 0.00 0.00 33.22 31.62 1nfu n MET 131 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1nfu n THR 132 N -0.94 0.96 -2.12 2.03 -2.24 -1.26 -4.94 114.28 105.77 1nfu n THR 132 Ca 0.15 -0.98 -0.29 0.00 -2.27 0.00 0.00 64.05 60.66 1nfu n THR 132 Cb 0.07 0.54 0.02 0.00 -2.10 0.00 0.00 70.33 68.86 1nfu n THR 132 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1nfu s GLN 133 N -1.02 3.22 0.07 -0.78 2.00 -0.55 -5.00 119.66 117.60 1nfu s GLN 133 Ca 0.37 0.40 -0.27 0.00 -2.00 0.00 0.00 55.36 53.86 1nfu s GLN 133 Cb 0.19 -2.15 -0.17 0.00 0.80 0.00 0.00 33.01 31.68 1nfu s GLN 133 CO 0.25 -0.68 1.62 0.87 -0.50 0.00 0.00 175.29 176.86 1nfu h LYS 134 N -0.30 -0.38 -4.97 1.67 1.57 -1.92 -3.41 116.57 108.84 1nfu h LYS 134 Ca -0.45 0.03 -0.37 0.00 -1.87 0.00 0.00 60.65 57.98 1nfu h LYS 134 Cb 1.23 0.09 -0.14 0.00 0.08 0.00 0.00 32.23 33.48 1nfu h LYS 134 CO 0.62 -0.21 -0.62 0.95 -0.57 0.00 0.00 179.45 179.62 1nfu s THR 135 N -5.88 0.76 0.35 -0.16 -4.23 -1.26 -0.64 115.64 104.57 1nfu s THR 135 Ca -0.15 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.39 1nfu s THR 135 Cb 0.04 -2.57 -0.03 0.00 1.34 0.00 0.00 72.50 71.28 1nfu s THR 135 CO 0.63 -0.10 0.14 -0.83 -0.54 0.00 0.00 174.62 173.93 1nfu s GLY 136 N -3.33 2.28 -0.08 3.99 0.00 -0.15 -4.73 107.32 105.31 1nfu s GLY 136 Ca 0.35 -1.61 0.04 0.00 0.00 0.00 0.00 44.72 43.49 1nfu s GLY 136 CO 0.12 -1.70 -0.19 -0.42 0.00 0.00 0.00 173.10 170.92 1nfu s ILE 137 N -3.41 1.65 0.03 0.90 -1.09 0.16 -0.65 121.20 118.79 1nfu s ILE 137 Ca 0.32 -0.79 0.07 0.00 -2.23 0.00 0.00 60.65 58.01 1nfu s ILE 137 Cb 0.04 -1.44 -0.03 0.00 -1.58 0.00 0.00 42.46 39.45 1nfu s ILE 137 CO 0.17 0.47 -0.17 0.54 -1.23 0.00 0.00 174.94 174.72 1nfu s VAL 138 N 0.38 2.85 0.07 2.92 0.11 0.30 -0.75 120.40 126.28 1nfu s VAL 138 Ca -0.14 -1.12 -0.07 0.00 -2.93 0.00 0.00 61.98 57.72 1nfu s VAL 138 Cb -0.16 -2.19 -0.01 0.00 -1.53 0.00 0.00 36.38 32.49 1nfu s VAL 138 CO 0.06 0.37 0.13 -0.94 -3.33 0.00 0.00 175.10 171.39 1nfu s SER 139 N -1.36 0.20 0.00 3.54 1.04 -1.16 0.50 113.70 116.46 1nfu s SER 139 Ca 0.14 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.89 1nfu s SER 139 Cb -0.11 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1nfu s SER 139 CO 0.05 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.22 1nfu n GLY 140 N 0.13 0.90 1.53 7.32 0.00 -0.11 -4.28 105.19 110.69 1nfu n GLY 140 Ca -0.16 -1.08 0.10 0.00 0.00 0.00 0.00 46.02 44.89 1nfu n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1nfu n PHE 141 N -0.72 1.33 -0.54 1.61 3.72 -1.26 -1.97 117.46 119.62 1nfu n PHE 141 Ca 0.00 -0.57 -0.30 0.00 -0.05 0.00 0.00 57.45 56.54 1nfu n PHE 141 Cb 0.00 -0.16 0.27 0.00 -0.94 0.00 0.00 39.48 38.65 1nfu n PHE 141 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1nfu s GLY 142 N -0.93 1.48 0.62 1.37 0.00 -1.26 -1.59 107.32 107.00 1nfu s GLY 142 Ca 0.51 -0.58 -0.17 0.00 0.00 0.00 0.00 44.72 44.48 1nfu s GLY 142 CO 0.28 0.30 0.46 0.54 0.00 0.00 0.00 173.10 174.69 1nfu n ARG 143 N -5.26 0.41 0.00 2.90 1.74 0.20 -2.48 116.66 114.16 1nfu n ARG 143 Ca 0.09 0.17 0.10 0.00 -0.77 0.00 0.00 57.85 57.44 1nfu n ARG 143 Cb 0.58 -1.68 -0.08 0.00 -1.02 0.00 0.00 32.46 30.25 1nfu n ARG 143 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1nfu n THR 144 N -1.89 0.00 -4.10 0.55 -2.24 -1.03 -0.11 114.28 105.46 1nfu n THR 144 Ca 0.11 -0.07 -0.11 0.00 -2.27 0.00 0.00 64.05 61.70 1nfu n THR 144 Cb 0.48 1.07 -0.07 0.00 -2.10 0.00 0.00 70.33 69.71 1nfu n THR 144 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1nfu s HIS 145 N -2.85 0.78 0.27 4.78 3.76 -1.26 -4.50 115.29 116.26 1nfu s HIS 145 Ca 0.11 -1.06 0.08 0.00 -0.15 0.00 0.00 55.06 54.03 1nfu s HIS 145 Cb 0.17 -0.16 0.34 0.00 1.11 0.00 0.00 32.58 34.04 1nfu s HIS 145 CO 0.78 -0.85 1.61 1.49 -0.85 0.00 0.00 174.74 176.92 1nfu h GLU 147 N 2.39 0.13 -0.00 1.40 4.81 -1.93 -3.13 114.58 118.24 1nfu h GLU 147 Ca -0.30 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 1nfu h GLU 147 Cb 1.25 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1nfu h GLU 147 CO 0.43 0.67 -0.12 0.36 -0.73 0.00 0.00 179.01 179.62 1nfu n LYS 148 N -3.87 3.31 -0.84 1.92 -0.00 -1.26 -5.02 118.16 112.40 1nfu n LYS 148 Ca -0.02 -0.30 -0.29 0.00 -0.00 0.00 0.00 58.31 57.70 1nfu n LYS 148 Cb 0.59 -0.85 0.23 0.00 -0.00 0.00 0.00 35.03 34.99 1nfu n LYS 148 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1nfu s GLY 149 N -1.01 1.54 0.60 2.58 0.00 -1.19 -5.04 107.32 104.80 1nfu s GLY 149 Ca 0.03 -0.36 -0.04 0.00 0.00 0.00 0.00 44.72 44.35 1nfu s GLY 149 CO 0.13 0.36 0.88 -1.60 0.00 0.00 0.00 173.10 172.87 1nfu s ARG 150 N -4.78 2.70 0.98 2.90 3.00 -1.26 -4.63 118.95 117.85 1nfu s ARG 150 Ca 0.67 -0.24 -0.12 0.00 -1.00 0.00 0.00 55.73 55.04 1nfu s ARG 150 Cb -0.21 -2.31 0.18 0.00 0.00 0.00 0.00 34.95 32.61 1nfu s ARG 150 CO 0.61 -0.79 1.09 -0.65 0.00 0.00 0.00 175.30 175.57 1nfu s GLN 151 N -4.97 0.61 -0.01 5.12 -0.21 -1.26 -2.47 119.66 116.46 1nfu s GLN 151 Ca 0.55 0.57 -0.16 0.00 0.02 0.00 0.00 55.36 56.34 1nfu s GLN 151 Cb -0.10 -1.75 -0.06 0.00 1.00 0.00 0.00 33.01 32.10 1nfu s GLN 151 CO 0.43 -2.62 0.45 0.45 -2.12 0.00 0.00 175.29 171.88 1nfu s SER 152 N -3.47 6.83 0.00 5.90 0.15 -0.62 -4.78 113.70 117.71 1nfu s SER 152 Ca 0.65 0.99 0.26 0.00 0.70 0.00 0.00 55.95 58.55 1nfu s SER 152 Cb -0.18 -2.28 0.63 0.00 -1.71 0.00 0.00 66.02 62.48 1nfu s SER 152 CO 0.57 0.25 1.50 0.35 1.20 0.00 0.00 173.24 177.11 1nfu n THR 153 N 2.19 0.00 -4.92 6.45 -2.24 -1.26 -4.75 114.28 109.76 1nfu n THR 153 Ca -0.12 -0.02 -0.32 0.00 -2.27 0.00 0.00 64.05 61.32 1nfu n THR 153 Cb 0.52 0.19 -0.13 0.00 -2.10 0.00 0.00 70.33 68.80 1nfu n THR 153 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1nfu s ARG 154 N -2.92 2.43 0.05 -0.78 1.81 -1.26 -0.05 118.95 118.23 1nfu s ARG 154 Ca 0.14 -0.74 -0.31 0.00 -1.72 0.00 0.00 55.73 53.10 1nfu s ARG 154 Cb 0.18 -2.33 -0.06 0.00 -0.45 0.00 0.00 34.95 32.29 1nfu s ARG 154 CO 0.65 0.61 1.25 -1.17 -0.68 0.00 0.00 175.30 175.97 1nfu s LEU 155 N -0.77 4.35 0.26 2.53 2.96 -0.24 -4.66 118.68 123.11 1nfu s LEU 155 Ca 0.12 2.04 0.11 0.00 -0.22 0.00 0.00 54.13 56.18 1nfu s LEU 155 Cb -0.11 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 1nfu s LEU 155 CO 0.01 -0.54 -0.19 -0.54 -1.32 0.00 0.00 176.35 173.76 1nfu s LYS 156 N 1.38 1.61 0.06 1.98 1.02 -0.83 -1.56 119.74 123.40 1nfu s LYS 156 Ca 0.60 -1.72 0.04 0.00 0.02 0.00 0.00 55.97 54.91 1nfu s LYS 156 Cb -0.30 -1.67 -0.03 0.00 -0.52 0.00 0.00 37.83 35.31 1nfu s LYS 156 CO 0.28 0.31 -0.11 0.00 -0.92 0.00 0.00 175.35 174.91 1nfu s MET 157 N -3.45 0.69 -0.04 1.68 0.23 0.10 -0.94 119.30 117.58 1nfu s MET 157 Ca 0.28 -0.89 -0.01 0.00 -1.03 0.00 0.00 55.69 54.03 1nfu s MET 157 Cb -0.05 -0.55 0.03 0.00 -1.53 0.00 0.00 34.83 32.74 1nfu s MET 157 CO 0.13 0.11 0.07 -1.17 -2.03 0.00 0.00 175.02 172.14 1nfu s LEU 158 N -1.76 0.90 -0.39 0.18 0.20 0.18 -0.90 118.68 117.08 1nfu s LEU 158 Ca -0.05 0.14 -0.26 0.00 0.69 0.00 0.00 54.13 54.65 1nfu s LEU 158 Cb -0.09 0.08 0.02 0.00 -0.43 0.00 0.00 46.19 45.77 1nfu s LEU 158 CO 0.01 -0.14 0.96 -0.70 -0.29 0.00 0.00 176.35 176.19 1nfu s GLU 159 N 1.17 3.80 -0.19 1.98 2.12 -1.26 -0.54 118.70 125.77 1nfu s GLU 159 Ca -0.08 0.55 -0.02 0.00 0.36 0.00 0.00 54.97 55.78 1nfu s GLU 159 Cb -0.12 -3.83 -0.01 0.00 0.26 0.00 0.00 34.13 30.43 1nfu s GLU 159 CO -0.04 -1.04 -0.08 0.14 -0.54 0.00 0.00 175.26 173.70 1nfu s VAL 160 N 3.65 3.14 0.54 3.70 -7.23 0.18 -4.93 120.40 119.45 1nfu s VAL 160 Ca 0.40 -0.59 -0.21 0.00 -1.81 0.00 0.00 61.98 59.78 1nfu s VAL 160 Cb -0.11 -2.39 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 1nfu s VAL 160 CO 0.21 0.46 1.20 -2.16 -0.31 0.00 0.00 175.10 174.50 1nfu s PRO 161 N 1.17 3.31 0.35 4.82 0.04 -1.26 -0.98 135.00 142.46 1nfu s PRO 161 Ca 0.02 1.82 -0.27 0.00 0.04 0.00 0.00 61.00 62.61 1nfu s PRO 161 Cb -0.14 -2.13 -0.09 0.00 0.04 0.00 0.00 34.50 32.17 1nfu s PRO 161 CO -0.02 -0.93 1.14 0.71 0.04 0.00 0.00 177.00 177.94 1nfu s TYR 162 N -1.58 3.26 -0.09 0.56 2.02 0.19 -2.14 117.35 119.58 1nfu s TYR 162 Ca 0.72 1.60 0.00 0.00 -0.37 0.00 0.00 57.07 59.02 1nfu s TYR 162 Cb -0.30 -3.35 -0.03 0.00 -0.40 0.00 0.00 41.96 37.88 1nfu s TYR 162 CO 0.34 -1.03 -0.08 0.08 -1.57 0.00 0.00 175.55 173.30 1nfu s VAL 163 N -1.34 3.62 0.12 0.71 1.01 -0.65 -4.91 120.40 118.97 1nfu s VAL 163 Ca 0.52 -0.49 -0.35 0.00 0.00 0.00 0.00 61.98 61.66 1nfu s VAL 163 Cb -0.31 -2.50 -0.15 0.00 0.00 0.00 0.00 36.38 33.43 1nfu s VAL 163 CO 0.39 0.57 1.51 -0.67 0.00 0.00 0.00 175.10 176.90 1nfu n ASP 164 N 2.58 2.60 -0.21 3.32 2.03 -1.26 -4.56 116.55 121.05 1nfu n ASP 164 Ca -0.18 1.09 0.02 0.00 0.52 0.00 0.00 54.79 56.24 1nfu n ASP 164 Cb 0.53 -1.34 0.12 0.00 -0.72 0.00 0.00 41.12 39.71 1nfu n ASP 164 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1nfu h ARG 165 N 5.55 0.21 0.17 -0.67 2.43 -1.97 -0.82 114.38 119.27 1nfu h ARG 165 Ca -0.46 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.69 1nfu h ARG 165 Cb 1.28 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1nfu h ARG 165 CO 0.85 0.14 -0.08 -0.97 -1.51 0.00 0.00 179.97 178.40 1nfu h ASN 166 N 0.22 -0.19 -1.00 -3.80 -0.00 -1.99 -1.15 115.58 107.67 1nfu h ASN 166 Ca 0.34 -0.17 0.17 0.00 -0.00 0.00 0.00 56.30 56.64 1nfu h ASN 166 Cb 0.53 0.05 -0.10 0.00 -0.00 0.00 0.00 38.32 38.80 1nfu h ASN 166 CO -0.46 0.06 0.62 0.28 -0.00 0.00 0.00 177.43 177.93 1nfu h SER 167 N -0.44 0.81 -0.17 1.15 0.02 -1.83 -0.65 113.55 112.44 1nfu h SER 167 Ca -0.02 0.08 -0.21 0.00 -0.84 0.00 0.00 61.79 60.79 1nfu h SER 167 Cb 0.35 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 62.82 1nfu h SER 167 CO 0.04 0.34 -0.72 0.00 -1.14 0.00 0.00 176.83 175.35 1nfu h LYS 169 N 0.57 1.10 -0.36 0.00 1.57 0.03 -1.20 116.57 118.28 1nfu h LYS 169 Ca -0.03 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.56 1nfu h LYS 169 Cb 1.34 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 1nfu h LYS 169 CO 0.15 0.75 -0.16 -0.07 -0.57 0.00 0.00 179.45 179.55 1nfu h LEU 170 N 1.12 0.76 -1.24 2.94 4.07 -1.07 -3.20 115.31 118.70 1nfu h LEU 170 Ca 0.30 -0.40 -0.06 0.00 0.08 0.00 0.00 57.88 57.79 1nfu h LEU 170 Cb -0.08 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.43 1nfu h LEU 170 CO -0.06 0.99 -0.18 0.77 -1.08 0.00 0.00 178.44 178.89 1nfu h SER 171 N 0.53 0.29 -3.61 -0.43 4.64 -0.76 -3.44 113.55 110.77 1nfu h SER 171 Ca 0.08 -0.07 -0.51 0.00 -0.47 0.00 0.00 61.79 60.82 1nfu h SER 171 Cb 0.70 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.69 1nfu h SER 171 CO 0.05 0.49 0.35 -0.55 -0.87 0.00 0.00 176.83 176.31 1nfu s SER 172 N -6.85 7.53 0.00 4.97 0.15 -0.50 -4.79 113.70 114.21 1nfu s SER 172 Ca -0.06 1.82 0.18 0.00 0.70 0.00 0.00 55.95 58.60 1nfu s SER 172 Cb 0.15 -2.59 0.73 0.00 -1.71 0.00 0.00 66.02 62.60 1nfu s SER 172 CO 0.75 -0.01 1.52 -1.20 1.20 0.00 0.00 173.24 175.50 1nfu n SER 173 N 2.48 1.30 -4.04 5.45 7.64 -1.26 -4.82 113.62 120.36 1nfu n SER 173 Ca 0.01 -1.70 -0.11 0.00 1.01 0.00 0.00 58.87 58.08 1nfu n SER 173 Cb 0.49 -0.10 -0.11 0.00 -1.01 0.00 0.00 64.21 63.48 1nfu n SER 173 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1nfu s PHE 174 N -1.81 0.53 0.26 1.43 0.08 -1.26 -5.13 117.98 112.08 1nfu s PHE 174 Ca 0.29 -0.57 -0.31 0.00 0.12 0.00 0.00 56.93 56.46 1nfu s PHE 174 Cb 0.15 -0.33 -0.13 0.00 -0.57 0.00 0.00 43.02 42.14 1nfu s PHE 174 CO 0.23 -0.14 1.48 1.51 -0.10 0.00 0.00 175.22 178.20 1nfu n ILE 175 N 1.33 0.96 -3.65 0.64 3.06 -1.26 -4.98 119.36 115.46 1nfu n ILE 175 Ca -0.22 -0.24 -0.39 0.00 -2.50 0.00 0.00 62.75 59.40 1nfu n ILE 175 Cb 0.56 -1.67 -0.10 0.00 0.54 0.00 0.00 39.64 38.97 1nfu n ILE 175 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 1nfu s ILE 176 N -0.02 3.88 1.03 9.51 -1.09 -1.26 -5.05 121.20 128.19 1nfu s ILE 176 Ca 0.67 -1.77 -0.16 0.00 -2.23 0.00 0.00 60.65 57.16 1nfu s ILE 176 Cb -0.59 -3.53 0.21 0.00 -1.58 0.00 0.00 42.46 36.97 1nfu s ILE 176 CO 0.49 -0.66 1.19 0.42 -1.23 0.00 0.00 174.94 175.14 1nfu s THR 177 N 1.30 1.86 -0.55 2.92 -4.23 -1.26 -4.92 115.64 110.77 1nfu s THR 177 Ca 0.05 0.00 0.20 0.00 -1.18 0.00 0.00 61.69 60.76 1nfu s THR 177 Cb -0.24 -2.73 0.20 0.00 1.34 0.00 0.00 72.50 71.06 1nfu s THR 177 CO -0.01 0.00 1.60 0.00 -0.54 0.00 0.00 174.62 175.67 1nfu n GLN 178 N -4.11 0.13 -0.56 3.99 0.00 -1.26 -2.07 117.38 113.50 1nfu n GLN 178 Ca 0.11 0.44 0.09 0.00 0.00 0.00 0.00 57.00 57.65 1nfu n GLN 178 Cb 0.59 -1.80 0.33 0.00 0.00 0.00 0.00 30.24 29.37 1nfu n GLN 178 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1nfu n ASN 179 N -2.05 4.41 -4.25 2.61 3.02 -1.26 -4.89 115.26 112.84 1nfu n ASN 179 Ca 0.01 -2.38 -0.14 0.00 -0.03 0.00 0.00 54.58 52.04 1nfu n ASN 179 Cb 0.16 -0.55 -0.10 0.00 -0.61 0.00 0.00 39.78 38.68 1nfu n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1nfu s MET 180 N -1.77 1.12 0.19 3.52 -1.94 -0.88 -0.09 119.30 119.45 1nfu s MET 180 Ca 0.48 -1.53 -0.14 0.00 -1.71 0.00 0.00 55.69 52.78 1nfu s MET 180 Cb 0.30 -0.37 0.01 0.00 2.01 0.00 0.00 34.83 36.78 1nfu s MET 180 CO 0.24 -0.09 0.45 -0.59 -0.01 0.00 0.00 175.02 175.02 1nfu s PHE 181 N -3.57 0.10 0.19 -0.03 -0.12 -0.50 -4.70 117.98 109.34 1nfu s PHE 181 Ca 0.23 -0.46 0.11 0.00 -0.05 0.00 0.00 56.93 56.76 1nfu s PHE 181 Cb 0.05 0.24 -0.04 0.00 -0.63 0.00 0.00 43.02 42.64 1nfu s PHE 181 CO 0.04 -0.88 -0.23 0.00 -0.05 0.00 0.00 175.22 174.10 1nfu s ALA 183 N -1.76 -1.32 0.00 0.00 0.00 -0.58 -1.63 121.76 116.48 1nfu s ALA 183 Ca 0.19 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.54 1nfu s ALA 183 Cb -0.07 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.68 1nfu s ALA 183 CO 0.09 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 175.63 1nfu n GLY 184 N -0.03 0.79 3.41 0.00 0.00 -0.91 -0.36 105.19 108.08 1nfu n GLY 184 Ca -0.17 -2.03 -0.29 0.00 0.00 0.00 0.00 46.02 43.53 1nfu n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nfu s TYR 185 N -1.80 2.33 -0.05 1.61 2.02 -1.26 -4.15 117.35 116.05 1nfu s TYR 185 Ca 0.00 -0.36 -0.21 0.00 -0.37 0.00 0.00 57.07 56.13 1nfu s TYR 185 Cb 0.00 -1.23 -0.15 0.00 -0.40 0.00 0.00 41.96 40.17 1nfu s TYR 185 CO 0.00 0.38 0.87 0.22 -1.57 0.00 0.00 175.55 175.45 1nfu h ASP 185 N 3.71 -0.20 0.00 2.29 3.58 -1.92 -3.43 116.42 120.45 1nfu h ASP 185 Ca -0.50 -0.33 -0.11 0.00 0.42 0.00 0.00 57.03 56.52 1nfu h ASP 185 Cb 1.18 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 42.26 1nfu h ASP 185 CO 0.42 0.34 -1.40 0.35 -2.88 0.00 0.00 179.24 176.07 1nfu n THR 185 N -4.94 0.40 -1.60 2.25 -2.24 -1.26 -0.79 114.28 106.09 1nfu n THR 185 Ca -0.08 -0.21 -0.43 0.00 -2.27 0.00 0.00 64.05 61.06 1nfu n THR 185 Cb 0.26 -0.81 -0.01 0.00 -2.10 0.00 0.00 70.33 67.67 1nfu n THR 185 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1nfu n LYS 186 N -2.40 1.41 -1.78 -0.78 4.81 -1.26 -4.75 118.16 113.41 1nfu n LYS 186 Ca -0.11 0.50 -0.42 0.00 -0.87 0.00 0.00 58.31 57.41 1nfu n LYS 186 Cb 0.67 -1.93 -0.00 0.00 0.02 0.00 0.00 35.03 33.79 1nfu n LYS 186 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1nfu n GLN 187 N 0.57 3.09 -3.68 1.64 1.13 -1.26 -4.71 117.38 114.15 1nfu n GLN 187 Ca 0.09 -2.72 -0.11 0.00 -1.94 0.00 0.00 57.00 52.32 1nfu n GLN 187 Cb 0.34 -3.17 -0.11 0.00 0.11 0.00 0.00 30.24 27.40 1nfu n GLN 187 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1nfu s GLU 188 N 2.59 0.28 -0.24 -1.09 2.02 -1.26 -4.13 118.70 116.87 1nfu s GLU 188 Ca 0.48 0.79 -0.37 0.00 0.02 0.00 0.00 54.97 55.90 1nfu s GLU 188 Cb 0.14 0.04 0.15 0.00 0.10 0.00 0.00 34.13 34.56 1nfu s GLU 188 CO -0.07 -0.21 1.29 0.34 0.02 0.00 0.00 175.26 176.63 1nfu s ASP 189 N 1.92 -0.08 1.25 -0.19 2.15 -0.80 -4.12 116.67 116.79 1nfu s ASP 189 Ca -0.05 -0.00 -0.21 0.00 0.43 0.00 0.00 52.55 52.72 1nfu s ASP 189 Cb -0.11 0.08 0.31 0.00 -0.30 0.00 0.00 42.92 42.90 1nfu s ASP 189 CO -0.11 -0.13 1.12 0.00 -0.17 0.00 0.00 175.17 175.88 1nfu s ALA 190 N -2.23 0.57 0.00 3.66 0.00 -1.26 0.25 121.76 122.75 1nfu s ALA 190 Ca 0.11 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.96 1nfu s ALA 190 Cb -0.01 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.29 1nfu s ALA 190 CO -0.03 -3.75 0.00 0.00 0.00 0.00 0.00 175.76 171.97 1nfu s GLN 192 N -1.18 4.24 0.00 0.00 0.74 -1.26 -2.30 119.66 119.90 1nfu s GLN 192 Ca 0.00 2.35 0.00 0.00 0.05 0.00 0.00 55.36 57.76 1nfu s GLN 192 Cb 0.00 -3.09 0.00 0.00 1.10 0.00 0.00 33.01 31.02 1nfu s GLN 192 CO 0.00 -0.44 0.00 0.41 -0.55 0.00 0.00 175.29 174.71 1nfu n GLY 193 N 2.00 3.28 0.10 2.59 0.00 -1.26 0.58 105.19 112.47 1nfu n GLY 193 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 1nfu n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1nfu h ASP 194 N 0.03 0.00 -2.50 1.61 3.32 -1.75 -3.32 116.42 113.81 1nfu h ASP 194 Ca 0.00 -0.12 -0.60 0.00 0.02 0.00 0.00 57.03 56.33 1nfu h ASP 194 Cb 0.00 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.64 1nfu h ASP 194 CO 0.00 0.06 0.43 -1.20 -1.72 0.00 0.00 179.24 176.81 1nfu n SER 195 N -2.40 2.14 0.00 6.45 7.64 -1.25 -0.84 113.62 125.35 1nfu n SER 195 Ca 0.02 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1nfu n SER 195 Cb 0.49 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 1nfu n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nfu n GLY 196 N 1.85 3.34 3.49 0.23 0.00 0.38 0.28 105.19 114.76 1nfu n GLY 196 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1nfu n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nfu s GLY 197 N -2.43 1.52 0.37 -0.02 0.00 -0.02 -2.99 107.32 103.75 1nfu s GLY 197 Ca 0.00 -0.41 -0.22 0.00 0.00 0.00 0.00 44.72 44.09 1nfu s GLY 197 CO 0.00 0.37 0.91 2.56 0.00 0.00 0.00 173.10 176.95 1nfu s PRO 198 N -4.76 4.33 -0.15 2.90 0.04 -1.26 -1.86 135.00 134.24 1nfu s PRO 198 Ca 0.68 1.14 -0.01 0.00 0.04 0.00 0.00 61.00 62.85 1nfu s PRO 198 Cb -0.20 -2.47 0.04 0.00 0.04 0.00 0.00 34.50 31.91 1nfu s PRO 198 CO 0.61 0.12 -0.05 -1.58 0.04 0.00 0.00 177.00 176.15 1nfu s HIS 199 N -1.92 1.56 0.18 0.56 2.46 -0.54 -2.98 115.29 114.60 1nfu s HIS 199 Ca 0.56 -0.96 0.08 0.00 0.47 0.00 0.00 55.06 55.21 1nfu s HIS 199 Cb -0.13 -1.25 -0.04 0.00 -0.13 0.00 0.00 32.58 31.03 1nfu s HIS 199 CO 0.18 -0.58 -0.15 0.14 -2.47 0.00 0.00 174.74 171.85 1nfu s VAL 200 N 1.68 1.69 -0.06 0.89 -7.23 0.07 -0.50 120.40 116.95 1nfu s VAL 200 Ca 0.01 -2.06 0.03 0.00 -1.81 0.00 0.00 61.98 58.16 1nfu s VAL 200 Cb -0.15 -1.91 0.01 0.00 0.56 0.00 0.00 36.38 34.89 1nfu s VAL 200 CO -0.08 -0.50 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.18 1nfu s THR 201 N -2.61 1.24 -0.04 5.32 2.01 0.12 0.39 115.64 122.07 1nfu s THR 201 Ca 0.19 -0.57 -0.19 0.00 0.31 0.00 0.00 61.69 61.43 1nfu s THR 201 Cb -0.03 -1.10 -0.05 0.00 0.01 0.00 0.00 72.50 71.34 1nfu s THR 201 CO 0.06 0.37 0.53 -0.60 -0.69 0.00 0.00 174.62 174.29 1nfu s ARG 202 N 0.39 4.26 -0.19 4.92 3.52 -1.26 -0.69 118.95 129.90 1nfu s ARG 202 Ca -0.10 0.59 -0.04 0.00 -0.13 0.00 0.00 55.73 56.05 1nfu s ARG 202 Cb -0.14 -3.36 0.06 0.00 -1.56 0.00 0.00 34.95 29.96 1nfu s ARG 202 CO 0.03 0.35 0.07 0.12 -0.81 0.00 0.00 175.30 175.05 1nfu s PHE 203 N -0.05 0.63 -1.32 5.12 5.36 0.36 -4.88 117.98 123.21 1nfu s PHE 203 Ca 0.28 -0.63 -0.03 0.00 -0.96 0.00 0.00 56.93 55.59 1nfu s PHE 203 Cb -0.17 -0.88 0.01 0.00 -0.34 0.00 0.00 43.02 41.64 1nfu s PHE 203 CO 0.14 -0.58 0.90 1.63 -1.46 0.00 0.00 175.22 175.85 1nfu n LYS 204 N 5.16 -5.96 -1.14 10.12 5.02 -1.26 -2.38 118.16 127.72 1nfu n LYS 204 Ca -0.08 0.71 -0.05 0.00 -2.02 0.00 0.00 58.31 56.88 1nfu n LYS 204 Cb 0.48 -5.53 -0.02 0.00 -0.02 0.00 0.00 35.03 29.93 1nfu n LYS 204 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1nfu n ASP 205 N -3.04 -4.16 -4.09 4.39 8.00 -1.26 -5.01 116.55 111.39 1nfu n ASP 205 Ca -0.20 0.12 -0.25 0.00 0.71 0.00 0.00 54.79 55.16 1nfu n ASP 205 Cb 0.64 -2.07 -0.16 0.00 -0.02 0.00 0.00 41.12 39.50 1nfu n ASP 205 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1nfu s THR 206 N -1.98 1.31 -0.18 -3.53 2.01 -1.00 -5.13 115.64 107.13 1nfu s THR 206 Ca 0.00 -0.62 -0.08 0.00 0.31 0.00 0.00 61.69 61.30 1nfu s THR 206 Cb 0.00 -1.15 -0.04 0.00 0.01 0.00 0.00 72.50 71.32 1nfu s THR 206 CO 0.00 0.39 0.10 -0.31 -0.69 0.00 0.00 174.62 174.11 1nfu s TYR 207 N 0.31 3.37 -0.03 4.92 1.51 -1.26 -0.48 117.35 125.68 1nfu s TYR 207 Ca -0.09 0.27 0.05 0.00 -1.01 0.00 0.00 57.07 56.29 1nfu s TYR 207 Cb -0.13 -2.08 -0.02 0.00 -0.11 0.00 0.00 41.96 39.61 1nfu s TYR 207 CO 0.03 0.32 -0.19 -0.06 -1.11 0.00 0.00 175.55 174.54 1nfu s PHE 208 N 0.11 2.56 0.02 2.71 0.08 0.13 -2.21 117.98 121.39 1nfu s PHE 208 Ca 0.07 -0.26 -0.30 0.00 0.12 0.00 0.00 56.93 56.56 1nfu s PHE 208 Cb -0.12 -1.57 -0.05 0.00 -0.57 0.00 0.00 43.02 40.71 1nfu s PHE 208 CO -0.00 0.12 1.27 0.54 -0.10 0.00 0.00 175.22 177.04 1nfu s VAL 209 N -0.71 3.94 0.00 -0.44 0.11 0.22 0.16 120.40 123.68 1nfu s VAL 209 Ca 0.11 1.35 0.00 0.00 -2.93 0.00 0.00 61.98 60.51 1nfu s VAL 209 Cb -0.10 -3.86 0.00 0.00 -1.53 0.00 0.00 36.38 30.88 1nfu s VAL 209 CO 0.00 0.05 0.00 0.35 -3.33 0.00 0.00 175.10 172.17 1nfu n THR 210 N 4.30 0.00 -3.71 5.04 -2.24 0.35 -4.52 114.28 113.49 1nfu n THR 210 Ca 0.11 -0.30 -0.08 0.00 -2.27 0.00 0.00 64.05 61.50 1nfu n THR 210 Cb 0.45 0.86 -0.02 0.00 -2.10 0.00 0.00 70.33 69.52 1nfu n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1nfu s GLY 211 N -0.97 -0.27 -0.14 3.38 0.00 -0.71 -3.03 107.32 105.58 1nfu s GLY 211 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 44.72 44.72 1nfu s GLY 211 CO 0.00 0.00 -0.15 -0.42 0.00 0.00 0.00 173.10 172.53 1nfu s ILE 212 N -3.81 1.62 -0.16 0.90 1.01 -1.17 -1.47 121.20 118.12 1nfu s ILE 212 Ca 0.08 -0.67 -0.37 0.00 0.00 0.00 0.00 60.65 59.69 1nfu s ILE 212 Cb -0.04 -1.51 -0.13 0.00 0.01 0.00 0.00 42.46 40.79 1nfu s ILE 212 CO 0.00 0.47 1.81 0.52 0.00 0.00 0.00 174.94 177.74 1nfu n VAL 213 N 4.64 0.45 -0.01 2.92 0.31 -0.78 -1.40 118.33 124.47 1nfu n VAL 213 Ca -0.18 -0.08 -0.02 0.00 -0.01 0.00 0.00 64.34 64.05 1nfu n VAL 213 Cb 0.50 -1.58 -0.01 0.00 -0.91 0.00 0.00 33.84 31.84 1nfu n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1nfu n SER 214 N 5.99 0.83 -3.15 4.52 2.88 -0.71 -0.47 113.62 123.51 1nfu n SER 214 Ca 0.24 0.13 -0.04 0.00 -1.33 0.00 0.00 58.87 57.86 1nfu n SER 214 Cb 0.22 -0.40 0.02 0.00 -0.75 0.00 0.00 64.21 63.31 1nfu n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1nfu n TRP 215 N -3.30 -1.60 -3.61 0.66 4.27 -0.69 -4.88 117.44 108.29 1nfu n TRP 215 Ca -0.04 -1.41 -0.01 0.00 -3.89 0.00 0.00 57.50 52.16 1nfu n TRP 215 Cb 0.13 0.69 -0.01 0.00 -1.36 0.00 0.00 31.31 30.76 1nfu n TRP 215 CO 0.00 0.00 0.00 0.20 -2.29 0.00 0.00 177.69 175.60 1nfu s GLY 216 N -3.34 -0.34 -0.67 -1.67 0.00 -1.26 0.09 107.32 100.12 1nfu s GLY 216 Ca 0.21 1.25 -0.19 0.00 0.00 0.00 0.00 44.72 45.99 1nfu s GLY 216 CO 0.07 0.36 0.80 -0.54 0.00 0.00 0.00 173.10 173.79 1nfu s GLU 217 N -2.34 3.18 3.32 2.90 2.02 -1.26 -4.87 118.70 121.65 1nfu s GLU 217 Ca 0.12 -1.42 0.00 0.00 0.02 0.00 0.00 54.97 53.69 1nfu s GLU 217 Cb 0.02 -4.37 0.00 0.00 0.10 0.00 0.00 34.13 29.88 1nfu s GLU 217 CO -0.04 -1.59 0.00 0.41 0.02 0.00 0.00 175.26 174.06 1nfu n GLY 219 N 5.20 -0.10 3.03 -1.39 0.00 -1.26 -4.59 105.19 106.08 1nfu n GLY 219 Ca -0.02 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.84 1nfu n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nfu n ALA 221 N 4.41 -0.22 -1.78 0.00 0.00 -1.26 -4.80 120.51 116.86 1nfu n ALA 221 Ca -0.22 0.24 -0.41 0.00 0.00 0.00 0.00 53.44 53.04 1nfu n ALA 221 Cb 0.52 -1.72 -0.01 0.00 0.00 0.00 0.00 19.45 18.24 1nfu n ALA 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1nfu s ARG 222 N -3.18 4.20 0.21 0.00 0.52 -1.26 -4.75 118.95 114.69 1nfu s ARG 222 Ca 0.00 2.44 -0.30 0.00 -0.52 0.00 0.00 55.73 57.34 1nfu s ARG 222 Cb 0.00 -3.01 -0.10 0.00 0.52 0.00 0.00 34.95 32.37 1nfu s ARG 222 CO 0.00 -0.40 1.45 0.15 0.02 0.00 0.00 175.30 176.51 1nfu s LYS 223 N -1.97 4.27 0.00 3.54 1.02 -1.26 -2.38 119.74 122.97 1nfu s LYS 223 Ca 0.51 2.26 0.00 0.00 0.02 0.00 0.00 55.97 58.76 1nfu s LYS 223 Cb -0.44 -3.15 0.00 0.00 -0.52 0.00 0.00 37.83 33.73 1nfu s LYS 223 CO 0.59 -0.45 0.00 0.41 -0.92 0.00 0.00 175.35 174.99 1nfu n GLY 223 N 2.73 0.47 2.94 -3.33 0.00 0.03 -5.01 105.19 103.02 1nfu n GLY 223 Ca 0.09 -0.48 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 1nfu n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nfu s LYS 224 N -0.89 0.26 0.40 1.61 -0.14 -1.00 -4.72 119.74 115.25 1nfu s LYS 224 Ca 0.00 -0.27 0.08 0.00 -1.36 0.00 0.00 55.97 54.41 1nfu s LYS 224 Cb 0.00 -0.15 -0.06 0.00 -1.68 0.00 0.00 37.83 35.94 1nfu s LYS 224 CO 0.00 0.03 0.10 0.71 -0.76 0.00 0.00 175.35 175.43 1nfu s TYR 225 N -0.49 2.57 0.08 3.18 2.02 -1.26 -4.58 117.35 118.87 1nfu s TYR 225 Ca -0.04 -0.58 -0.25 0.00 -0.37 0.00 0.00 57.07 55.84 1nfu s TYR 225 Cb -0.04 -1.81 -0.06 0.00 -0.40 0.00 0.00 41.96 39.65 1nfu s TYR 225 CO -0.00 0.32 0.77 0.20 -1.57 0.00 0.00 175.55 175.27 1nfu s GLY 226 N -3.81 2.83 -0.17 0.71 0.00 0.51 -4.54 107.32 102.85 1nfu s GLY 226 Ca 0.38 0.31 -0.06 0.00 0.00 0.00 0.00 44.72 45.35 1nfu s GLY 226 CO 0.21 1.03 0.04 -0.42 0.00 0.00 0.00 173.10 173.96 1nfu s ILE 227 N -0.38 4.61 0.14 0.90 -1.09 0.11 -1.52 121.20 123.98 1nfu s ILE 227 Ca 0.38 -0.10 0.10 0.00 -2.23 0.00 0.00 60.65 58.80 1nfu s ILE 227 Cb -0.21 -3.06 -0.04 0.00 -1.58 0.00 0.00 42.46 37.57 1nfu s ILE 227 CO 0.24 0.48 -0.25 -0.31 -1.23 0.00 0.00 174.94 173.88 1nfu s TYR 228 N 0.25 2.18 0.14 3.97 1.51 -0.34 -1.71 117.35 123.35 1nfu s TYR 228 Ca 0.03 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.39 1nfu s TYR 228 Cb -0.13 -1.15 -0.08 0.00 -0.11 0.00 0.00 41.96 40.50 1nfu s TYR 228 CO 0.01 0.35 1.26 0.99 -1.11 0.00 0.00 175.55 177.05 1nfu s THR 229 N -1.29 3.57 -0.91 -0.71 2.01 -0.49 -1.42 115.64 116.40 1nfu s THR 229 Ca 0.14 1.22 -0.24 0.00 0.31 0.00 0.00 61.69 63.12 1nfu s THR 229 Cb -0.09 -3.78 0.03 0.00 0.01 0.00 0.00 72.50 68.67 1nfu s THR 229 CO 0.07 0.15 1.47 -0.75 -0.69 0.00 0.00 174.62 174.87 1nfu s LYS 230 N 0.38 3.33 0.32 4.92 2.20 0.87 -3.02 119.74 128.73 1nfu s LYS 230 Ca 0.57 -0.71 0.03 0.00 -0.36 0.00 0.00 55.97 55.50 1nfu s LYS 230 Cb -0.33 -4.96 0.63 0.00 -1.51 0.00 0.00 37.83 31.65 1nfu s LYS 230 CO 0.34 -2.33 1.89 0.28 -0.36 0.00 0.00 175.35 175.17 1nfu h VAL 231 N 6.64 0.98 -0.01 4.02 2.07 -1.85 -1.33 116.25 126.77 1nfu h VAL 231 Ca 0.04 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1nfu h VAL 231 Cb 1.03 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1nfu h VAL 231 CO 1.36 0.17 0.09 0.71 0.02 0.00 0.00 177.57 179.91 1nfu h THR 232 N 0.91 0.03 -0.01 2.57 1.35 -1.89 0.17 112.91 116.05 1nfu h THR 232 Ca 0.42 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.28 1nfu h THR 232 Cb 0.38 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1nfu h THR 232 CO -0.18 0.00 -0.00 0.00 -0.25 0.00 0.00 175.52 175.09 1nfu n ALA 233 N -2.05 2.60 -1.58 6.62 0.00 -0.50 -3.99 120.51 121.61 1nfu n ALA 233 Ca -0.03 -0.42 0.05 0.00 0.00 0.00 0.00 53.44 53.05 1nfu n ALA 233 Cb 0.16 -1.20 0.08 0.00 0.00 0.00 0.00 19.45 18.48 1nfu n ALA 233 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1nfu n PHE 234 N 0.04 0.00 0.10 0.00 3.72 0.59 -4.84 117.46 117.07 1nfu n PHE 234 Ca 0.19 -0.58 0.00 0.00 -0.05 0.00 0.00 57.45 57.01 1nfu n PHE 234 Cb 0.33 -0.11 0.30 0.00 -0.94 0.00 0.00 39.48 39.06 1nfu n PHE 234 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1nfu h LEU 235 N 0.12 0.26 -0.14 4.37 3.38 -1.66 0.05 115.31 121.69 1nfu h LEU 235 Ca -0.01 -0.08 -0.20 0.00 0.09 0.00 0.00 57.88 57.68 1nfu h LEU 235 Cb 1.22 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 1nfu h LEU 235 CO 0.01 0.52 -0.95 0.11 0.09 0.00 0.00 178.44 178.22 1nfu h LYS 236 N 0.24 0.06 -0.19 1.13 1.79 -1.90 -2.67 116.57 115.02 1nfu h LYS 236 Ca 0.04 -0.08 -0.11 0.00 -2.18 0.00 0.00 60.65 58.32 1nfu h LYS 236 Cb 0.59 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.26 1nfu h LYS 236 CO 0.04 0.96 -0.30 2.35 -1.08 0.00 0.00 179.45 181.42 1nfu h TRP 237 N 0.02 0.67 -0.50 -1.35 7.01 -1.83 -2.70 115.95 117.27 1nfu h TRP 237 Ca -0.03 -0.23 0.00 0.00 2.11 0.00 0.00 58.89 60.75 1nfu h TRP 237 Cb 1.65 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 28.55 1nfu h TRP 237 CO 0.01 0.95 0.32 0.82 -2.79 0.00 0.00 178.44 177.75 1nfu h ILE 238 N 0.21 1.14 -0.28 2.65 2.04 -1.02 -2.42 117.51 119.82 1nfu h ILE 238 Ca 0.02 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.64 1nfu h ILE 238 Cb 0.88 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1nfu h ILE 238 CO 0.07 0.13 0.11 0.44 0.00 0.00 0.00 178.15 178.90 1nfu h ASP 239 N 0.68 0.14 1.13 1.72 3.32 -1.44 0.25 116.42 122.22 1nfu h ASP 239 Ca 0.18 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 1nfu h ASP 239 Cb -0.06 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 1nfu h ASP 239 CO -0.04 0.12 -0.09 0.08 -1.72 0.00 0.00 179.24 177.59 1nfu h ARG 240 N 0.25 0.00 0.01 3.56 0.11 -1.43 -2.86 114.38 114.02 1nfu h ARG 240 Ca 0.12 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 59.95 1nfu h ARG 240 Cb 0.07 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.17 1nfu h ARG 240 CO -0.11 0.09 -1.01 0.77 0.10 0.00 0.00 179.97 179.80 1nfu h SER 241 N 0.00 0.70 -0.10 0.08 0.02 -0.87 -3.11 113.55 110.27 1nfu h SER 241 Ca -0.00 -0.57 0.00 0.00 -0.84 0.00 0.00 61.79 60.38 1nfu h SER 241 Cb 0.68 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1nfu h SER 241 CO 0.01 1.38 0.00 0.23 -1.14 0.00 0.00 176.83 177.31 1nfu n MET 242 N -3.78 1.28 -0.21 3.45 2.81 0.02 -2.86 117.12 117.82 1nfu n MET 242 Ca -0.09 -0.37 0.05 0.00 -1.81 0.00 0.00 57.70 55.47 1nfu n MET 242 Cb 0.87 -1.16 0.06 0.00 -0.71 0.00 0.00 33.22 32.29 1nfu n MET 242 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1nfu n LYS 243 N -0.16 0.89 0.00 0.03 0.00 -1.18 -5.06 118.16 112.68 1nfu n LYS 243 Ca 0.03 -1.73 0.00 0.00 0.00 0.00 0.00 58.31 56.61 1nfu n LYS 243 Cb 0.13 -1.01 0.00 0.00 0.00 0.00 0.00 35.03 34.15 1nfu n LYS 243 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65