#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yaj n SER 22 N 0.00 0.23 -4.66 -3.46 7.64 -1.26 -4.91 113.62 107.21 1yaj n SER 22 Ca 0.00 0.65 -0.37 0.00 1.01 0.00 0.00 58.87 60.16 1yaj n SER 22 Cb 0.00 -1.38 0.07 0.00 -1.01 0.00 0.00 64.21 61.89 1yaj n SER 22 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1yaj n PRO 23 N -1.73 0.88 -1.80 1.43 -0.02 -1.26 -4.91 135.00 127.58 1yaj n PRO 23 Ca 0.13 0.35 -0.42 0.00 -2.02 0.00 0.00 63.50 61.54 1yaj n PRO 23 Cb 0.49 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.63 1yaj n PRO 23 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1yaj s PRO 24 N -3.12 4.16 -0.29 0.52 0.02 -1.26 -4.85 135.00 130.18 1yaj s PRO 24 Ca 0.78 2.51 0.03 0.00 0.02 0.00 0.00 61.00 64.34 1yaj s PRO 24 Cb -0.39 -3.20 0.08 0.00 0.02 0.00 0.00 34.50 31.01 1yaj s PRO 24 CO 0.45 -0.72 -0.02 0.08 -0.33 0.00 0.00 177.00 176.46 1yaj s VAL 25 N 1.46 1.98 -0.04 3.83 1.01 -1.26 -1.20 120.40 126.19 1yaj s VAL 25 Ca 0.74 -1.81 -0.00 0.00 0.00 0.00 0.00 61.98 60.91 1yaj s VAL 25 Cb -0.47 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 1yaj s VAL 25 CO 0.32 -0.31 0.01 -0.69 0.00 0.00 0.00 175.10 174.43 1yaj s VAL 26 N 1.12 4.28 -0.38 2.92 1.01 -0.73 -4.95 120.40 123.67 1yaj s VAL 26 Ca 0.01 -0.44 -0.14 0.00 0.00 0.00 0.00 61.98 61.41 1yaj s VAL 26 Cb -0.19 -2.87 0.01 0.00 0.00 0.00 0.00 36.38 33.32 1yaj s VAL 26 CO -0.08 0.47 0.27 -0.62 0.00 0.00 0.00 175.10 175.13 1yaj s ASP 27 N -1.30 6.05 0.38 3.32 -1.08 -1.26 0.14 116.67 122.91 1yaj s ASP 27 Ca 0.17 -0.71 0.06 0.00 -0.52 0.00 0.00 52.55 51.55 1yaj s ASP 27 Cb -0.11 -2.14 0.06 0.00 -1.46 0.00 0.00 42.92 39.27 1yaj s ASP 27 CO 0.07 -0.36 0.49 0.35 0.52 0.00 0.00 175.17 176.25 1yaj n THR 28 N 5.12 0.00 -0.02 1.71 -2.24 0.81 -4.87 114.28 114.79 1yaj n THR 28 Ca -0.12 -1.29 0.01 0.00 -2.27 0.00 0.00 64.05 60.38 1yaj n THR 28 Cb 0.48 -0.61 0.32 0.00 -2.10 0.00 0.00 70.33 68.42 1yaj n THR 28 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1yaj h VAL 29 N 0.14 1.17 -0.59 2.28 2.07 -1.96 -2.92 116.25 116.45 1yaj h VAL 29 Ca -0.18 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1yaj h VAL 29 Cb 0.82 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1yaj h VAL 29 CO 0.27 0.22 0.00 1.41 0.02 0.00 0.00 177.57 179.49 1yaj n HIS 30 N -4.34 1.14 0.00 1.57 8.25 -1.26 -5.05 115.22 115.54 1yaj n HIS 30 Ca 0.02 -0.59 0.00 0.00 -0.26 0.00 0.00 57.72 56.90 1yaj n HIS 30 Cb 0.18 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.14 1yaj n HIS 30 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1yaj n GLY 31 N 1.02 0.91 3.78 -1.41 0.00 -1.10 -2.20 105.19 106.19 1yaj n GLY 31 Ca 0.23 -2.02 -0.38 0.00 0.00 0.00 0.00 46.02 43.84 1yaj n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yaj s LYS 32 N -1.25 4.17 -0.15 1.61 1.02 -1.23 -0.13 119.74 123.77 1yaj s LYS 32 Ca 0.00 0.52 -0.01 0.00 0.02 0.00 0.00 55.97 56.50 1yaj s LYS 32 Cb 0.00 -3.32 -0.01 0.00 -0.52 0.00 0.00 37.83 33.98 1yaj s LYS 32 CO 0.00 0.45 -0.12 0.08 -0.92 0.00 0.00 175.35 174.84 1yaj s VAL 33 N -0.35 3.02 -0.12 3.17 1.01 0.12 -0.47 120.40 126.78 1yaj s VAL 33 Ca 0.26 -0.65 -0.11 0.00 0.00 0.00 0.00 61.98 61.48 1yaj s VAL 33 Cb -0.17 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 1yaj s VAL 33 CO 0.14 0.50 0.23 -0.22 0.00 0.00 0.00 175.10 175.75 1yaj s LEU 34 N 0.69 4.34 0.00 3.92 1.98 -0.07 -1.78 118.68 127.75 1yaj s LEU 34 Ca -0.06 0.53 0.00 0.00 -2.89 0.00 0.00 54.13 51.71 1yaj s LEU 34 Cb -0.15 -2.25 0.00 0.00 0.66 0.00 0.00 46.19 44.45 1yaj s LEU 34 CO 0.02 0.28 0.00 0.61 -1.89 0.00 0.00 176.35 175.37 1yaj n GLY 35 N 2.57 5.32 3.22 7.98 0.00 -0.34 -1.50 105.19 122.43 1yaj n GLY 35 Ca -0.16 -1.79 -0.12 0.00 0.00 0.00 0.00 46.02 43.95 1yaj n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yaj s LYS 36 N 1.90 0.67 -0.07 1.61 -2.85 -0.49 -4.25 119.74 116.26 1yaj s LYS 36 Ca 0.00 -0.32 -0.15 0.00 -1.00 0.00 0.00 55.97 54.50 1yaj s LYS 36 Cb 0.00 0.29 -0.05 0.00 -2.06 0.00 0.00 37.83 36.01 1yaj s LYS 36 CO 0.00 -0.19 0.38 -0.06 0.10 0.00 0.00 175.35 175.58 1yaj s PHE 37 N -1.69 3.61 -0.06 1.78 2.99 -1.26 -0.43 117.98 122.92 1yaj s PHE 37 Ca -0.11 0.85 -0.01 0.00 0.00 0.00 0.00 56.93 57.65 1yaj s PHE 37 Cb -0.04 -2.33 0.03 0.00 0.00 0.00 0.00 43.02 40.67 1yaj s PHE 37 CO 0.02 0.46 0.01 0.08 -0.00 0.00 0.00 175.22 175.78 1yaj s VAL 38 N -0.35 0.29 -0.34 -0.44 1.01 -0.02 -4.95 120.40 115.60 1yaj s VAL 38 Ca 0.22 0.17 -0.15 0.00 0.00 0.00 0.00 61.98 62.22 1yaj s VAL 38 Cb -0.15 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.76 1yaj s VAL 38 CO 0.10 0.24 0.35 -0.44 0.00 0.00 0.00 175.10 175.35 1yaj s SER 39 N 1.95 6.16 0.29 3.32 0.01 -1.26 -1.24 113.70 122.94 1yaj s SER 39 Ca 0.04 -0.25 -0.28 0.00 1.31 0.00 0.00 55.95 56.77 1yaj s SER 39 Cb -0.12 -2.19 -0.09 0.00 0.21 0.00 0.00 66.02 63.82 1yaj s SER 39 CO -0.05 -0.32 1.01 -0.22 0.41 0.00 0.00 173.24 174.07 1yaj s LEU 40 N 1.98 4.48 -0.82 2.44 2.96 -1.26 -4.87 118.68 123.59 1yaj s LEU 40 Ca 0.11 2.04 -0.25 0.00 -0.22 0.00 0.00 54.13 55.82 1yaj s LEU 40 Cb -0.17 -3.78 -0.18 0.00 0.50 0.00 0.00 46.19 42.56 1yaj s LEU 40 CO 0.11 -0.08 2.20 1.21 -1.32 0.00 0.00 176.35 178.47 1yaj n GLU 41 N 0.97 0.00 0.00 1.98 4.07 -1.26 -0.12 120.64 126.27 1yaj n GLU 41 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1yaj n GLU 41 Cb 0.47 -1.21 0.00 0.00 -0.06 0.00 0.00 31.44 30.64 1yaj n GLU 41 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1yaj n GLY 42 N 5.29 3.38 3.61 8.31 0.00 -1.26 -5.04 105.19 119.47 1yaj n GLY 42 Ca 0.54 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.13 1yaj n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1yaj s PHE 43 N -2.72 3.08 0.18 1.61 0.40 0.82 -4.91 117.98 116.45 1yaj s PHE 43 Ca 0.00 0.84 -0.12 0.00 -0.60 0.00 0.00 56.93 57.04 1yaj s PHE 43 Cb 0.00 -3.67 0.09 0.00 0.51 0.00 0.00 43.02 39.95 1yaj s PHE 43 CO 0.00 -0.82 1.79 0.00 0.70 0.00 0.00 175.22 176.89 1yaj h ALA 44 N 8.43 0.77 -2.17 5.36 0.00 -1.97 -3.40 119.26 126.28 1yaj h ALA 44 Ca -0.23 -0.10 -0.56 0.00 0.00 0.00 0.00 54.91 54.02 1yaj h ALA 44 Cb 1.08 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1yaj h ALA 44 CO 0.99 0.29 1.08 -1.14 0.00 0.00 0.00 179.25 180.47 1yaj s GLN 45 N -5.85 4.05 0.33 0.00 2.00 -1.26 -4.98 119.66 113.96 1yaj s GLN 45 Ca -0.13 1.95 -0.26 0.00 -2.00 0.00 0.00 55.36 54.93 1yaj s GLN 45 Cb 0.13 -3.98 -0.10 0.00 0.80 0.00 0.00 33.01 29.86 1yaj s GLN 45 CO 0.77 -0.98 0.94 -1.25 -0.50 0.00 0.00 175.29 174.27 1yaj s PRO 46 N 4.19 4.55 -0.12 1.67 0.04 -1.26 -4.72 135.00 139.35 1yaj s PRO 46 Ca 0.71 1.31 -0.12 0.00 0.04 0.00 0.00 61.00 62.93 1yaj s PRO 46 Cb -0.29 -2.75 -0.05 0.00 0.04 0.00 0.00 34.50 31.45 1yaj s PRO 46 CO 0.27 0.25 0.26 0.08 0.04 0.00 0.00 177.00 177.91 1yaj s VAL 47 N -1.66 5.31 -0.22 -0.36 1.01 -0.37 -4.76 120.40 119.35 1yaj s VAL 47 Ca 0.51 0.49 -0.22 0.00 0.00 0.00 0.00 61.98 62.76 1yaj s VAL 47 Cb -0.18 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 1yaj s VAL 47 CO 0.23 0.48 0.71 0.00 0.00 0.00 0.00 175.10 176.52 1yaj s ALA 48 N -0.18 3.58 -0.15 5.51 0.00 -1.00 -0.84 121.76 128.68 1yaj s ALA 48 Ca 0.17 -0.23 -0.00 0.00 0.00 0.00 0.00 51.96 51.89 1yaj s ALA 48 Cb -0.13 -3.11 -0.01 0.00 0.00 0.00 0.00 23.12 19.88 1yaj s ALA 48 CO 0.05 -0.73 -0.14 0.42 0.00 0.00 0.00 175.76 175.36 1yaj s ILE 49 N 2.33 2.80 -0.07 0.00 1.01 0.42 -2.09 121.20 125.60 1yaj s ILE 49 Ca 0.31 -0.73 0.05 0.00 0.00 0.00 0.00 60.65 60.28 1yaj s ILE 49 Cb -0.16 -2.19 -0.01 0.00 0.01 0.00 0.00 42.46 40.12 1yaj s ILE 49 CO 0.09 0.51 -0.23 -0.36 0.00 0.00 0.00 174.94 174.95 1yaj s PHE 50 N 0.74 2.38 -0.30 3.97 0.40 -0.29 -1.40 117.98 123.48 1yaj s PHE 50 Ca -0.06 -0.82 0.00 0.00 -0.60 0.00 0.00 56.93 55.45 1yaj s PHE 50 Cb -0.15 -1.58 0.09 0.00 0.51 0.00 0.00 43.02 41.89 1yaj s PHE 50 CO 0.01 -0.29 0.07 -0.51 0.70 0.00 0.00 175.22 175.20 1yaj s LEU 51 N 0.08 2.62 0.00 -0.37 1.43 -1.21 -0.65 118.68 120.58 1yaj s LEU 51 Ca -0.10 -1.60 0.00 0.00 -1.03 0.00 0.00 54.13 51.40 1yaj s LEU 51 Cb -0.15 -1.01 0.00 0.00 0.03 0.00 0.00 46.19 45.06 1yaj s LEU 51 CO 0.06 -0.38 0.00 0.61 0.23 0.00 0.00 176.35 176.87 1yaj n GLY 52 N 4.74 1.87 3.67 -3.19 0.00 -1.22 -3.91 105.19 107.14 1yaj n GLY 52 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 1yaj n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yaj s ILE 53 N -2.00 4.51 0.03 -0.61 1.01 -0.96 -4.83 121.20 118.36 1yaj s ILE 53 Ca 0.00 1.82 -0.30 0.00 0.00 0.00 0.00 60.65 62.17 1yaj s ILE 53 Cb 0.00 -4.18 -0.08 0.00 0.01 0.00 0.00 42.46 38.22 1yaj s ILE 53 CO 0.00 -0.12 1.73 -2.16 0.00 0.00 0.00 174.94 174.38 1yaj s PRO 54 N 3.04 4.18 -0.25 2.79 0.04 -1.26 -2.35 135.00 141.18 1yaj s PRO 54 Ca 0.49 2.37 0.13 0.00 0.04 0.00 0.00 61.00 64.03 1yaj s PRO 54 Cb -0.19 -3.82 0.62 0.00 0.04 0.00 0.00 34.50 31.15 1yaj s PRO 54 CO 0.12 -0.82 1.58 1.97 0.04 0.00 0.00 177.00 179.89 1yaj n PHE 55 N 6.42 1.54 0.00 0.56 1.16 -0.96 -4.92 117.46 121.26 1yaj n PHE 55 Ca 0.17 -1.12 0.00 0.00 -1.87 0.00 0.00 57.45 54.63 1yaj n PHE 55 Cb 0.41 -0.49 0.00 0.00 -1.61 0.00 0.00 39.48 37.79 1yaj n PHE 55 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1yaj n ALA 56 N -0.45 0.00 -1.58 1.98 0.00 -1.26 -4.68 120.51 114.52 1yaj n ALA 56 Ca 0.31 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.42 1yaj n ALA 56 Cb 1.11 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.59 1yaj n ALA 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1yaj s LYS 57 N -2.00 3.04 -0.10 0.00 2.20 0.50 -4.43 119.74 118.95 1yaj s LYS 57 Ca 0.00 1.23 -0.29 0.00 -0.36 0.00 0.00 55.97 56.54 1yaj s LYS 57 Cb 0.00 -1.99 -0.06 0.00 -1.51 0.00 0.00 37.83 34.27 1yaj s LYS 57 CO 0.00 -1.03 1.84 -2.14 -0.36 0.00 0.00 175.35 173.66 1yaj s PRO 58 N -4.25 3.88 -0.65 4.03 0.02 -1.26 -4.67 135.00 132.10 1yaj s PRO 58 Ca 0.64 2.15 -0.06 0.00 0.02 0.00 0.00 61.00 63.75 1yaj s PRO 58 Cb -0.17 -4.12 -0.05 0.00 0.02 0.00 0.00 34.50 30.18 1yaj s PRO 58 CO 0.42 -1.22 1.80 -0.35 -0.33 0.00 0.00 177.00 177.32 1yaj n PRO 59 N 7.69 1.47 -4.15 5.54 -0.04 -1.26 -4.86 135.00 139.39 1yaj n PRO 59 Ca 0.21 -1.22 -0.24 0.00 -0.04 0.00 0.00 63.50 62.20 1yaj n PRO 59 Cb 0.43 -2.36 -0.06 0.00 -0.04 0.00 0.00 33.50 31.47 1yaj n PRO 59 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1yaj s LEU 60 N 0.13 3.62 0.00 1.53 1.43 -1.26 -4.08 118.68 120.05 1yaj s LEU 60 Ca 0.31 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1yaj s LEU 60 Cb 0.08 -2.20 0.00 0.00 0.03 0.00 0.00 46.19 44.10 1yaj s LEU 60 CO -0.01 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.21 1yaj n GLY 61 N -0.67 1.85 0.00 -3.19 0.00 -1.26 -2.84 105.19 99.09 1yaj n GLY 61 Ca -0.08 -0.54 0.03 0.00 0.00 0.00 0.00 46.02 45.42 1yaj n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1yaj n PRO 62 N 13.06 0.01 -0.00 1.61 -0.04 -1.26 -1.95 135.00 146.42 1yaj n PRO 62 Ca 0.00 0.39 0.14 0.00 -0.04 0.00 0.00 63.50 64.00 1yaj n PRO 62 Cb 0.00 -1.50 0.65 0.00 -0.04 0.00 0.00 33.50 32.61 1yaj n PRO 62 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1yaj n LEU 63 N -1.48 1.00 -4.72 1.53 4.77 -1.13 -4.83 117.00 112.14 1yaj n LEU 63 Ca 0.01 -0.34 -0.42 0.00 -0.03 0.00 0.00 56.01 55.24 1yaj n LEU 63 Cb 0.06 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 1yaj n LEU 63 CO 0.05 0.17 0.78 -0.60 -1.33 0.00 0.00 177.39 176.46 1yaj s ARG 64 N -1.99 4.54 -0.37 3.23 3.52 -0.82 -3.11 118.95 123.96 1yaj s ARG 64 Ca 0.41 1.63 -0.01 0.00 -0.13 0.00 0.00 55.73 57.63 1yaj s ARG 64 Cb 0.21 -3.36 0.00 0.00 -1.56 0.00 0.00 34.95 30.24 1yaj s ARG 64 CO 0.34 -0.05 0.10 1.19 -0.81 0.00 0.00 175.30 176.07 1yaj n PHE 65 N 3.33 -0.39 -3.94 5.12 3.72 -1.26 -4.98 117.46 119.06 1yaj n PHE 65 Ca 0.06 0.09 -0.09 0.00 -0.05 0.00 0.00 57.45 57.46 1yaj n PHE 65 Cb 0.48 -1.76 -0.09 0.00 -0.94 0.00 0.00 39.48 37.16 1yaj n PHE 65 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1yaj s THR 66 N -2.56 0.16 0.35 4.37 -4.23 -1.18 -4.87 115.64 107.67 1yaj s THR 66 Ca 0.05 -1.29 -0.29 0.00 -1.18 0.00 0.00 61.69 58.98 1yaj s THR 66 Cb -0.02 -1.18 -0.11 0.00 1.34 0.00 0.00 72.50 72.53 1yaj s THR 66 CO 0.06 -0.71 1.45 -2.84 -0.54 0.00 0.00 174.62 172.04 1yaj s PRO 67 N -3.31 4.19 0.33 3.99 0.02 -1.26 -4.92 135.00 134.04 1yaj s PRO 67 Ca 0.01 2.46 -0.29 0.00 0.02 0.00 0.00 61.00 63.20 1yaj s PRO 67 Cb 0.03 -3.01 -0.12 0.00 0.02 0.00 0.00 34.50 31.42 1yaj s PRO 67 CO -0.08 -0.45 1.43 -0.35 -0.33 0.00 0.00 177.00 177.22 1yaj n PRO 68 N 0.88 2.42 -4.16 5.54 -0.04 -1.26 -5.00 135.00 133.37 1yaj n PRO 68 Ca 0.02 0.85 -0.28 0.00 -0.04 0.00 0.00 63.50 64.05 1yaj n PRO 68 Cb 0.40 -2.53 -0.08 0.00 -0.04 0.00 0.00 33.50 31.25 1yaj n PRO 68 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1yaj s GLN 69 N -1.56 2.50 0.07 0.54 -0.21 -1.26 -5.00 119.66 114.75 1yaj s GLN 69 Ca 0.57 -0.97 -0.33 0.00 0.02 0.00 0.00 55.36 54.65 1yaj s GLN 69 Cb -0.53 -2.46 -0.12 0.00 1.00 0.00 0.00 33.01 30.90 1yaj s GLN 69 CO 0.59 0.49 1.80 -2.30 -2.12 0.00 0.00 175.29 173.75 1yaj n PRO 70 N 0.14 2.48 -1.63 2.91 -0.02 -1.26 -0.37 135.00 137.25 1yaj n PRO 70 Ca -0.10 0.90 -0.39 0.00 -2.02 0.00 0.00 63.50 61.89 1yaj n PRO 70 Cb 0.54 -2.76 0.03 0.00 -0.02 0.00 0.00 33.50 31.29 1yaj n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yaj n ALA 71 N 5.47 0.36 -1.83 3.55 0.00 -1.26 -4.37 120.51 122.43 1yaj n ALA 71 Ca 0.19 0.12 -0.33 0.00 0.00 0.00 0.00 53.44 53.42 1yaj n ALA 71 Cb 0.33 -2.12 -0.05 0.00 0.00 0.00 0.00 19.45 17.61 1yaj n ALA 71 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1yaj s GLU 72 N -2.42 4.05 0.43 0.00 0.41 -1.26 -4.84 118.70 115.06 1yaj s GLU 72 Ca 0.69 1.03 -0.21 0.00 -0.41 0.00 0.00 54.97 56.07 1yaj s GLU 72 Cb -0.47 -2.15 -0.10 0.00 -1.78 0.00 0.00 34.13 29.62 1yaj s GLU 72 CO 0.52 -0.19 0.97 -1.25 -0.49 0.00 0.00 175.26 174.82 1yaj s PRO 73 N -3.70 4.18 0.05 0.39 0.04 -1.26 -5.04 135.00 129.65 1yaj s PRO 73 Ca 0.60 1.20 0.01 0.00 0.04 0.00 0.00 61.00 62.85 1yaj s PRO 73 Cb -0.10 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 1yaj s PRO 73 CO 0.24 -0.08 0.14 1.67 0.04 0.00 0.00 177.00 179.01 1yaj s TRP 74 N -2.06 3.38 -0.55 0.56 -2.14 -0.93 -5.04 118.94 112.16 1yaj s TRP 74 Ca 0.62 0.20 0.24 0.00 2.66 0.00 0.00 56.10 59.82 1yaj s TRP 74 Cb -0.12 -1.72 0.47 0.00 -3.10 0.00 0.00 33.47 29.00 1yaj s TRP 74 CO 0.16 0.57 1.58 0.77 -2.66 0.00 0.00 176.95 177.37 1yaj h SER 75 N 3.40 0.00 0.00 -2.66 0.02 -1.98 -3.42 113.55 108.91 1yaj h SER 75 Ca -0.47 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1yaj h SER 75 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1yaj h SER 75 CO 0.70 0.01 0.00 0.49 -1.14 0.00 0.00 176.83 176.89 1yaj n PHE 76 N -2.65 0.00 -4.07 3.45 3.01 -1.26 -5.03 117.46 110.92 1yaj n PHE 76 Ca 0.04 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.17 1yaj n PHE 76 Cb 0.49 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.80 1yaj n PHE 76 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1yaj s VAL 77 N 3.52 2.25 -0.35 -4.37 1.01 -1.26 -3.52 120.40 117.68 1yaj s VAL 77 Ca 0.00 -1.23 -0.29 0.00 0.00 0.00 0.00 61.98 60.46 1yaj s VAL 77 Cb 0.00 -2.13 0.02 0.00 0.00 0.00 0.00 36.38 34.27 1yaj s VAL 77 CO 0.00 0.26 1.07 -0.75 0.00 0.00 0.00 175.10 175.68 1yaj s LYS 78 N 1.22 4.00 -0.51 2.72 2.20 0.38 -4.85 119.74 124.90 1yaj s LYS 78 Ca -0.01 0.97 -0.26 0.00 -0.36 0.00 0.00 55.97 56.30 1yaj s LYS 78 Cb -0.16 -3.77 -0.24 0.00 -1.51 0.00 0.00 37.83 32.15 1yaj s LYS 78 CO -0.08 -0.97 1.80 0.09 -0.36 0.00 0.00 175.35 175.83 1yaj n ASN 79 N 7.00 1.91 -4.34 1.43 4.13 -1.26 -0.89 115.26 123.24 1yaj n ASN 79 Ca 0.12 -2.60 -0.29 0.00 1.68 0.00 0.00 54.58 53.49 1yaj n ASN 79 Cb 0.47 -0.94 -0.08 0.00 -1.54 0.00 0.00 39.78 37.70 1yaj n ASN 79 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1yaj n ALA 80 N 9.01 1.55 -0.08 5.41 0.00 -0.57 -4.36 120.51 131.49 1yaj n ALA 80 Ca 0.48 -2.84 0.00 0.00 0.00 0.00 0.00 53.44 51.08 1yaj n ALA 80 Cb 0.42 -3.50 0.00 0.00 0.00 0.00 0.00 19.45 16.37 1yaj n ALA 80 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1yaj n THR 81 N 7.79 0.00 -4.55 0.00 -2.24 -1.26 -3.29 114.28 110.73 1yaj n THR 81 Ca 0.45 -0.41 -0.30 0.00 -2.27 0.00 0.00 64.05 61.53 1yaj n THR 81 Cb 0.45 1.08 -0.13 0.00 -2.10 0.00 0.00 70.33 69.63 1yaj n THR 81 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1yaj s SER 82 N -0.47 3.44 0.13 3.42 0.01 -1.25 -4.94 113.70 114.04 1yaj s SER 82 Ca 0.00 -0.64 -0.31 0.00 1.31 0.00 0.00 55.95 56.31 1yaj s SER 82 Cb 0.00 -0.34 -0.08 0.00 0.21 0.00 0.00 66.02 65.81 1yaj s SER 82 CO 0.00 0.21 1.39 -0.31 0.41 0.00 0.00 173.24 174.94 1yaj s TYR 83 N -0.99 3.23 0.87 2.43 2.02 -1.26 -4.31 117.35 119.33 1yaj s TYR 83 Ca 0.14 0.96 -0.10 0.00 -0.37 0.00 0.00 57.07 57.70 1yaj s TYR 83 Cb -0.10 -3.69 0.11 0.00 -0.40 0.00 0.00 41.96 37.88 1yaj s TYR 83 CO 0.06 -2.41 1.12 -1.25 -1.57 0.00 0.00 175.55 171.50 1yaj s PRO 84 N 0.95 1.45 0.65 -1.71 0.04 -1.26 -4.98 135.00 130.14 1yaj s PRO 84 Ca 0.64 1.38 -0.13 0.00 0.04 0.00 0.00 61.00 62.93 1yaj s PRO 84 Cb -0.37 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 1yaj s PRO 84 CO 0.31 -2.28 1.06 -2.14 0.04 0.00 0.00 177.00 173.99 1yaj s PRO 85 N -4.75 3.08 -0.13 0.56 0.02 -1.26 -4.79 135.00 127.73 1yaj s PRO 85 Ca 0.65 1.07 -0.06 0.00 0.02 0.00 0.00 61.00 62.67 1yaj s PRO 85 Cb -0.21 -2.01 -0.04 0.00 0.02 0.00 0.00 34.50 32.27 1yaj s PRO 85 CO 0.57 -0.99 0.10 0.00 -0.33 0.00 0.00 177.00 176.35 1yaj s MET 86 N -4.62 3.49 0.52 5.54 0.23 0.03 -4.74 119.30 119.75 1yaj s MET 86 Ca 0.60 -0.22 -0.19 0.00 -1.03 0.00 0.00 55.69 54.85 1yaj s MET 86 Cb -0.15 -3.14 -0.10 0.00 -1.53 0.00 0.00 34.83 29.91 1yaj s MET 86 CO 0.47 0.66 0.47 0.00 -2.03 0.00 0.00 175.02 174.59 1yaj n THR 88 N -1.44 1.86 -3.61 0.00 -1.04 -1.23 -4.72 114.28 104.11 1yaj n THR 88 Ca 0.11 -0.47 -0.02 0.00 -2.04 0.00 0.00 64.05 61.63 1yaj n THR 88 Cb 0.45 -0.84 -0.01 0.00 -1.82 0.00 0.00 70.33 68.11 1yaj n THR 88 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1yaj s GLN 89 N -1.34 0.35 -0.54 -2.82 -2.07 -1.26 -4.73 119.66 107.25 1yaj s GLN 89 Ca 0.61 -0.16 -0.37 0.00 -1.82 0.00 0.00 55.36 53.63 1yaj s GLN 89 Cb -0.75 0.14 -0.16 0.00 -1.09 0.00 0.00 33.01 31.16 1yaj s GLN 89 CO 0.58 -0.16 2.29 -3.47 -1.32 0.00 0.00 175.29 173.22 1yaj n ASP 90 N -0.24 1.32 0.04 12.60 -0.08 -1.26 -4.76 116.55 124.17 1yaj n ASP 90 Ca -0.03 0.38 0.13 0.00 -1.51 0.00 0.00 54.79 53.76 1yaj n ASP 90 Cb 0.60 -1.10 0.59 0.00 2.34 0.00 0.00 41.12 43.55 1yaj n ASP 90 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1yaj h PRO 91 N 11.77 0.19 0.37 -0.67 0.13 -1.98 0.32 132.00 142.13 1yaj h PRO 91 Ca -0.17 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.93 1yaj h PRO 91 Cb 1.35 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1yaj h PRO 91 CO 1.13 0.12 -0.18 -0.22 -0.23 0.00 0.00 178.00 178.62 1yaj h LYS 92 N 0.19 -0.48 -0.56 0.86 3.64 -2.00 -2.84 116.57 115.37 1yaj h LYS 92 Ca 0.19 0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.56 1yaj h LYS 92 Cb 0.50 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 1yaj h LYS 92 CO -0.03 -0.32 0.20 0.00 -2.27 0.00 0.00 179.45 177.03 1yaj h ALA 93 N -1.44 1.30 -0.87 5.00 0.00 -1.95 -1.89 119.26 119.41 1yaj h ALA 93 Ca -0.05 -0.16 0.20 0.00 0.00 0.00 0.00 54.91 54.90 1yaj h ALA 93 Cb 0.38 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 1yaj h ALA 93 CO 0.08 0.51 0.58 0.78 0.00 0.00 0.00 179.25 181.21 1yaj h GLY 94 N 0.95 0.71 0.00 0.00 0.00 -0.41 -0.46 103.07 103.86 1yaj h GLY 94 Ca 0.19 -0.15 -0.11 0.00 0.00 0.00 0.00 47.33 47.26 1yaj h GLY 94 CO -0.01 0.00 -0.61 -1.61 0.00 0.00 0.00 176.54 174.31 1yaj h GLN 95 N 0.34 0.00 -1.12 4.80 4.15 -1.12 -3.30 115.11 118.87 1yaj h GLN 95 Ca 0.44 0.00 0.37 0.00 0.77 0.00 0.00 58.65 60.24 1yaj h GLN 95 Cb 1.19 0.00 -0.14 0.00 0.21 0.00 0.00 27.48 28.74 1yaj h GLN 95 CO -0.14 0.92 0.67 1.25 -1.93 0.00 0.00 178.83 179.60 1yaj h LEU 96 N -1.00 0.38 -0.31 -2.39 5.85 -0.55 0.45 115.31 117.74 1yaj h LEU 96 Ca -0.16 0.17 -0.15 0.00 0.84 0.00 0.00 57.88 58.58 1yaj h LEU 96 Cb 1.08 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1yaj h LEU 96 CO -0.10 -0.19 -0.40 0.25 -0.34 0.00 0.00 178.44 177.66 1yaj h LEU 97 N 0.19 0.89 -1.33 2.25 5.85 -1.26 -2.81 115.31 119.09 1yaj h LEU 97 Ca 0.77 -0.50 -0.06 0.00 0.84 0.00 0.00 57.88 58.94 1yaj h LEU 97 Cb 2.07 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.84 1yaj h LEU 97 CO -0.54 1.21 -0.17 -1.28 -0.34 0.00 0.00 178.44 177.32 1yaj h SER 98 N 0.60 0.23 1.76 1.25 0.87 -0.24 -2.49 113.55 115.53 1yaj h SER 98 Ca 0.04 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1yaj h SER 98 Cb 1.00 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1yaj h SER 98 CO 0.10 0.42 -0.11 -0.33 -0.53 0.00 0.00 176.83 176.38 1yaj h GLU 99 N 0.22 0.00 0.00 2.24 5.08 -1.08 -1.44 114.58 119.61 1yaj h GLU 99 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1yaj h GLU 99 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1yaj h GLU 99 CO 0.03 0.00 -0.91 1.28 -1.00 0.00 0.00 179.01 178.41 1yaj n LEU 100 N -2.85 0.68 -0.01 1.33 4.77 -1.05 -4.40 117.00 115.47 1yaj n LEU 100 Ca 0.04 -0.16 0.02 0.00 -0.03 0.00 0.00 56.01 55.88 1yaj n LEU 100 Cb 0.51 -0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.44 1yaj n LEU 100 CO 0.34 0.13 -0.61 0.49 -1.33 0.00 0.00 177.39 176.40 1yaj n PHE 101 N -1.71 0.00 -1.71 -1.77 3.72 -0.96 -4.95 117.46 110.08 1yaj n PHE 101 Ca 0.03 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.04 1yaj n PHE 101 Cb 0.38 -0.19 0.03 0.00 -0.94 0.00 0.00 39.48 38.75 1yaj n PHE 101 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1yaj n THR 102 N -1.85 3.06 -0.03 4.37 5.66 -0.54 -4.90 114.28 120.05 1yaj n THR 102 Ca -0.03 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.47 1yaj n THR 102 Cb 0.30 -1.58 -0.09 0.00 -1.55 0.00 0.00 70.33 67.42 1yaj n THR 102 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1yaj n ASN 103 N -0.28 2.40 -3.85 1.09 0.23 -1.26 -5.01 115.26 108.59 1yaj n ASN 103 Ca 0.08 0.00 -0.29 0.00 -0.53 0.00 0.00 54.58 53.84 1yaj n ASN 103 Cb 0.42 1.13 0.27 0.00 -2.08 0.00 0.00 39.78 39.53 1yaj n ASN 103 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 1yaj n ARG 104 N -2.15 -3.64 0.00 -3.83 1.85 -1.26 -4.01 116.66 103.62 1yaj n ARG 104 Ca -0.10 -1.06 0.00 0.00 -1.00 0.00 0.00 57.85 55.69 1yaj n ARG 104 Cb 0.57 -1.99 0.00 0.00 -1.05 0.00 0.00 32.46 29.99 1yaj n ARG 104 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 1yaj n LYS 105 N -5.10 0.00 -3.22 2.89 2.85 -1.26 -4.71 118.16 109.61 1yaj n LYS 105 Ca 0.07 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.95 1yaj n LYS 105 Cb 0.56 -0.86 -0.06 0.00 -0.65 0.00 0.00 35.03 34.03 1yaj n LYS 105 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 1yaj s GLU 106 N -0.74 4.29 0.20 -1.58 4.04 -1.26 -5.01 118.70 118.64 1yaj s GLU 106 Ca 0.00 0.54 -0.32 0.00 0.04 0.00 0.00 54.97 55.23 1yaj s GLU 106 Cb 0.00 -3.50 -0.12 0.00 0.02 0.00 0.00 34.13 30.53 1yaj s GLU 106 CO 0.00 -0.01 1.74 1.21 -1.84 0.00 0.00 175.26 176.36 1yaj s ASN 107 N 0.90 6.37 -0.00 0.83 3.84 -1.26 -4.92 114.94 120.70 1yaj s ASN 107 Ca 0.28 2.87 -0.30 0.00 0.21 0.00 0.00 52.86 55.91 1yaj s ASN 107 Cb -0.16 -2.60 -0.04 0.00 -0.55 0.00 0.00 41.25 37.90 1yaj s ASN 107 CO 0.11 -0.98 1.23 -0.63 -2.79 0.00 0.00 177.10 174.03 1yaj s ILE 108 N 1.35 4.10 0.75 -5.21 -1.09 -1.26 -5.03 121.20 114.81 1yaj s ILE 108 Ca 0.76 1.47 -0.12 0.00 -2.23 0.00 0.00 60.65 60.53 1yaj s ILE 108 Cb -0.50 -3.94 0.05 0.00 -1.58 0.00 0.00 42.46 36.49 1yaj s ILE 108 CO 0.33 0.04 1.12 -2.16 -1.23 0.00 0.00 174.94 173.03 1yaj s PRO 109 N 1.80 2.24 0.01 2.79 0.04 -1.26 -5.00 135.00 135.62 1yaj s PRO 109 Ca 0.58 1.34 -0.06 0.00 0.04 0.00 0.00 61.00 62.90 1yaj s PRO 109 Cb -0.27 -1.88 -0.00 0.00 0.04 0.00 0.00 34.50 32.38 1yaj s PRO 109 CO 0.25 -1.68 0.12 -0.51 0.04 0.00 0.00 177.00 175.22 1yaj s LEU 110 N -5.62 1.64 0.39 -3.56 1.02 -1.26 -5.08 118.68 106.21 1yaj s LEU 110 Ca 0.65 -0.26 0.08 0.00 0.02 0.00 0.00 54.13 54.62 1yaj s LEU 110 Cb -0.20 0.61 -0.00 0.00 0.02 0.00 0.00 46.19 46.62 1yaj s LEU 110 CO 0.51 -0.37 0.51 -0.54 0.02 0.00 0.00 176.35 176.47 1yaj s LYS 111 N -1.46 2.85 0.14 1.70 3.01 -1.26 -4.95 119.74 119.77 1yaj s LYS 111 Ca -0.14 -1.23 0.10 0.00 -1.01 0.00 0.00 55.97 53.69 1yaj s LYS 111 Cb -0.08 -2.71 -0.04 0.00 -1.01 0.00 0.00 37.83 34.00 1yaj s LYS 111 CO 0.01 -0.16 -0.25 -0.51 0.51 0.00 0.00 175.35 174.95 1yaj s LEU 112 N -4.26 2.34 0.00 3.17 1.43 -1.26 -0.79 118.68 119.31 1yaj s LEU 112 Ca 0.51 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 1yaj s LEU 112 Cb -0.09 -1.12 0.00 0.00 0.03 0.00 0.00 46.19 45.01 1yaj s LEU 112 CO 0.31 0.13 0.00 -1.20 0.23 0.00 0.00 176.35 175.83 1yaj n SER 113 N 0.81 0.00 0.26 2.29 7.64 -1.18 -4.90 113.62 118.55 1yaj n SER 113 Ca -0.17 0.00 0.14 0.00 1.01 0.00 0.00 58.87 59.84 1yaj n SER 113 Cb 0.54 0.00 0.72 0.00 -1.01 0.00 0.00 64.21 64.46 1yaj n SER 113 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1yaj h GLU 114 N 0.00 0.00 -5.79 1.43 5.08 -1.94 -3.26 114.58 110.10 1yaj h GLU 114 Ca 0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 1yaj h GLU 114 Cb 0.00 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.15 1yaj h GLU 114 CO 0.00 0.11 1.80 0.34 -1.00 0.00 0.00 179.01 180.26 1yaj s ASP 115 N -6.03 6.73 -0.00 1.42 2.15 -1.26 -4.40 116.67 115.28 1yaj s ASP 115 Ca -0.02 -2.13 0.01 0.00 0.43 0.00 0.00 52.55 50.84 1yaj s ASP 115 Cb 0.12 -2.55 0.01 0.00 -0.30 0.00 0.00 42.92 40.20 1yaj s ASP 115 CO 0.57 -1.24 0.78 0.00 -0.17 0.00 0.00 175.17 175.11 1yaj n LEU 117 N -0.07 6.39 -4.25 0.00 4.77 -1.26 -4.65 117.00 117.93 1yaj n LEU 117 Ca 0.01 -3.91 -0.19 0.00 -0.03 0.00 0.00 56.01 51.88 1yaj n LEU 117 Cb 0.59 -1.56 -0.11 0.00 -2.33 0.00 0.00 43.42 40.01 1yaj n LEU 117 CO 0.00 0.86 -0.46 -0.31 -1.33 0.00 0.00 177.39 176.14 1yaj s TYR 118 N 3.51 1.49 0.04 -1.77 1.51 -1.26 -2.28 117.35 118.58 1yaj s TYR 118 Ca 0.49 -0.51 0.05 0.00 -1.01 0.00 0.00 57.07 56.09 1yaj s TYR 118 Cb 0.14 -0.78 -0.02 0.00 -0.11 0.00 0.00 41.96 41.19 1yaj s TYR 118 CO -0.05 0.17 -0.13 -0.48 -1.11 0.00 0.00 175.55 173.94 1yaj s LEU 119 N -2.31 2.17 0.14 -1.29 0.05 -0.99 -2.54 118.68 113.91 1yaj s LEU 119 Ca 0.08 -0.45 0.03 0.00 0.05 0.00 0.00 54.13 53.84 1yaj s LEU 119 Cb -0.06 -0.57 -0.04 0.00 -2.05 0.00 0.00 46.19 43.47 1yaj s LEU 119 CO 0.04 0.02 0.21 0.20 -0.55 0.00 0.00 176.35 176.27 1yaj s ASN 120 N -1.13 6.01 0.04 1.48 0.01 0.19 -2.26 114.94 119.28 1yaj s ASN 120 Ca 0.01 0.07 0.05 0.00 -0.71 0.00 0.00 52.86 52.28 1yaj s ASN 120 Cb -0.08 -1.73 -0.02 0.00 0.41 0.00 0.00 41.25 39.83 1yaj s ASN 120 CO 0.01 0.08 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.90 1yaj s ILE 121 N -1.69 1.17 -0.17 0.60 1.01 0.18 -1.29 121.20 121.01 1yaj s ILE 121 Ca 0.33 -1.00 -0.04 0.00 0.00 0.00 0.00 60.65 59.94 1yaj s ILE 121 Cb -0.11 -1.05 0.06 0.00 0.01 0.00 0.00 42.46 41.36 1yaj s ILE 121 CO 0.26 0.04 0.06 -0.31 0.00 0.00 0.00 174.94 175.00 1yaj s TYR 122 N -0.82 0.61 -0.17 3.97 1.51 -0.12 -1.14 117.35 121.19 1yaj s TYR 122 Ca 0.02 -0.55 0.01 0.00 -1.01 0.00 0.00 57.07 55.54 1yaj s TYR 122 Cb -0.08 -0.85 0.03 0.00 -0.11 0.00 0.00 41.96 40.95 1yaj s TYR 122 CO 0.01 -0.54 -0.13 -0.08 -1.11 0.00 0.00 175.55 173.70 1yaj s THR 123 N 2.00 1.64 -0.33 -0.71 -1.32 -0.89 -0.61 115.64 115.42 1yaj s THR 123 Ca 0.01 -0.80 0.02 0.00 -1.21 0.00 0.00 61.69 59.71 1yaj s THR 123 Cb -0.16 -1.60 0.23 0.00 -1.51 0.00 0.00 72.50 69.45 1yaj s THR 123 CO -0.08 0.36 1.17 -0.81 -2.21 0.00 0.00 174.62 173.05 1yaj n PRO 124 N 4.73 1.65 -3.09 7.08 -0.04 -1.26 -2.38 135.00 141.69 1yaj n PRO 124 Ca -0.16 -0.96 -0.21 0.00 -0.04 0.00 0.00 63.50 62.12 1yaj n PRO 124 Cb 0.49 -1.48 0.01 0.00 -0.04 0.00 0.00 33.50 32.47 1yaj n PRO 124 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1yaj s ALA 125 N -1.19 3.95 -0.95 0.55 0.00 -1.26 -4.97 121.76 117.89 1yaj s ALA 125 Ca 0.18 -1.24 -0.14 0.00 0.00 0.00 0.00 51.96 50.75 1yaj s ALA 125 Cb 0.14 -1.97 0.20 0.00 0.00 0.00 0.00 23.12 21.50 1yaj s ALA 125 CO 0.04 -0.31 1.00 0.34 0.00 0.00 0.00 175.76 176.83 1yaj s ASP 126 N -4.23 6.86 0.63 0.00 2.15 -1.26 -4.80 116.67 116.01 1yaj s ASP 126 Ca 0.49 -2.71 0.05 0.00 0.43 0.00 0.00 52.55 50.81 1yaj s ASP 126 Cb -0.10 -2.28 0.18 0.00 -0.30 0.00 0.00 42.92 40.42 1yaj s ASP 126 CO 0.36 -0.67 1.03 0.18 -0.17 0.00 0.00 175.17 175.89 1yaj n LEU 127 N 4.63 0.00 -0.06 -1.34 4.77 -1.26 -0.46 117.00 123.28 1yaj n LEU 127 Ca 0.21 0.53 -0.15 0.00 -0.03 0.00 0.00 56.01 56.58 1yaj n LEU 127 Cb 0.46 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.44 1yaj n LEU 127 CO 0.43 -0.53 0.46 0.71 -1.33 0.00 0.00 177.39 177.13 1yaj h THR 128 N 0.00 1.32 -3.50 -5.08 1.35 -1.97 -3.44 112.91 101.58 1yaj h THR 128 Ca 0.10 -1.66 -0.53 0.00 -0.55 0.00 0.00 66.41 63.77 1yaj h THR 128 Cb 2.12 1.84 -0.03 0.00 -1.73 0.00 0.00 68.15 70.34 1yaj h THR 128 CO -0.00 0.52 -0.03 -0.54 -0.25 0.00 0.00 175.52 175.22 1yaj s LYS 129 N -4.05 3.94 -1.36 4.72 1.02 0.40 -4.99 119.74 119.42 1yaj s LYS 129 Ca -0.12 0.49 -0.17 0.00 0.02 0.00 0.00 55.97 56.19 1yaj s LYS 129 Cb 0.08 -2.68 0.05 0.00 -0.52 0.00 0.00 37.83 34.76 1yaj s LYS 129 CO 0.84 0.32 1.94 1.63 -0.92 0.00 0.00 175.35 179.16 1yaj n LYS 130 N 0.10 3.02 -3.15 1.68 5.02 -1.26 -4.77 118.16 118.79 1yaj n LYS 130 Ca -0.00 -2.98 -0.34 0.00 -2.02 0.00 0.00 58.31 52.97 1yaj n LYS 130 Cb 0.52 -3.41 -0.06 0.00 -0.02 0.00 0.00 35.03 32.06 1yaj n LYS 130 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1yaj s ASN 131 N 3.87 6.86 -0.54 4.39 0.01 -1.26 -5.03 114.94 123.23 1yaj s ASN 131 Ca 0.52 1.29 0.07 0.00 -0.71 0.00 0.00 52.86 54.03 1yaj s ASN 131 Cb 0.08 -2.38 0.31 0.00 0.41 0.00 0.00 41.25 39.67 1yaj s ASN 131 CO 0.01 -0.11 0.81 0.54 -1.51 0.00 0.00 177.10 176.85 1yaj n ARG 132 N 0.04 2.39 -1.21 -0.60 3.00 -1.23 -3.96 116.66 115.08 1yaj n ARG 132 Ca 0.01 -4.38 -0.31 0.00 -0.01 0.00 0.00 57.85 53.16 1yaj n ARG 132 Cb 0.52 -2.04 0.10 0.00 0.00 0.00 0.00 32.46 31.04 1yaj n ARG 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1yaj s LEU 133 N -2.80 2.97 0.45 0.55 1.43 0.63 -4.06 118.68 117.86 1yaj s LEU 133 Ca 0.44 1.83 -0.23 0.00 -1.03 0.00 0.00 54.13 55.14 1yaj s LEU 133 Cb 0.25 -4.49 -0.07 0.00 0.03 0.00 0.00 46.19 41.90 1yaj s LEU 133 CO -0.09 -2.15 1.16 -2.16 0.23 0.00 0.00 176.35 173.33 1yaj s PRO 134 N -4.89 3.79 -0.10 1.29 0.04 -1.26 0.05 135.00 133.92 1yaj s PRO 134 Ca 0.62 1.76 -0.02 0.00 0.04 0.00 0.00 61.00 63.40 1yaj s PRO 134 Cb -0.18 -2.42 -0.03 0.00 0.04 0.00 0.00 34.50 31.91 1yaj s PRO 134 CO 0.56 -0.53 -0.03 0.08 0.04 0.00 0.00 177.00 177.13 1yaj s VAL 135 N -1.55 4.06 -0.32 -0.36 1.01 -0.93 -0.88 120.40 121.42 1yaj s VAL 135 Ca 0.63 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.30 1yaj s VAL 135 Cb -0.28 -2.72 0.10 0.00 0.00 0.00 0.00 36.38 33.48 1yaj s VAL 135 CO 0.34 0.57 0.06 -0.04 0.00 0.00 0.00 175.10 176.03 1yaj s MET 136 N -0.50 1.23 -0.13 2.72 -1.94 0.34 -0.38 119.30 120.63 1yaj s MET 136 Ca 0.08 -1.56 -0.27 0.00 -1.71 0.00 0.00 55.69 52.23 1yaj s MET 136 Cb -0.12 -2.75 -0.01 0.00 2.01 0.00 0.00 34.83 33.95 1yaj s MET 136 CO 0.02 -0.94 0.92 0.08 -0.01 0.00 0.00 175.02 175.09 1yaj s VAL 137 N 1.17 4.83 -0.20 -6.03 1.01 0.24 -1.64 120.40 119.78 1yaj s VAL 137 Ca 0.10 1.84 -0.05 0.00 0.00 0.00 0.00 61.98 63.87 1yaj s VAL 137 Cb -0.18 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 31.95 1yaj s VAL 137 CO -0.14 0.02 -0.00 0.86 0.00 0.00 0.00 175.10 175.84 1yaj s TRP 138 N 2.03 3.03 -0.38 5.22 -0.11 0.16 -1.24 118.94 127.65 1yaj s TRP 138 Ca 0.43 -0.52 -0.11 0.00 1.22 0.00 0.00 56.10 57.12 1yaj s TRP 138 Cb -0.17 -2.09 0.03 0.00 -1.50 0.00 0.00 33.47 29.73 1yaj s TRP 138 CO 0.15 -0.29 0.22 0.42 -4.62 0.00 0.00 176.95 172.84 1yaj s ILE 139 N 1.09 4.64 0.99 5.86 1.01 -0.46 -2.91 121.20 131.42 1yaj s ILE 139 Ca 0.02 -0.88 -0.11 0.00 0.00 0.00 0.00 60.65 59.69 1yaj s ILE 139 Cb -0.14 -3.61 0.19 0.00 0.01 0.00 0.00 42.46 38.90 1yaj s ILE 139 CO 0.01 -0.27 1.10 -1.38 0.00 0.00 0.00 174.94 174.41 1yaj s HIS 140 N 1.56 1.61 0.51 3.97 -3.43 -1.26 -3.64 115.29 114.61 1yaj s HIS 140 Ca 0.02 1.55 0.03 0.00 -0.80 0.00 0.00 55.06 55.86 1yaj s HIS 140 Cb -0.19 -3.24 -0.00 0.00 -1.43 0.00 0.00 32.58 27.72 1yaj s HIS 140 CO 0.07 -3.11 0.14 0.20 -2.00 0.00 0.00 174.74 170.05 1yaj s GLY 141 N -2.69 2.75 0.00 -1.38 0.00 -1.22 -3.23 107.32 101.54 1yaj s GLY 141 Ca 0.67 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 44.55 1yaj s GLY 141 CO 0.60 -2.09 0.00 0.61 0.00 0.00 0.00 173.10 172.22 1yaj n GLY 142 N -1.42 0.00 2.87 0.20 0.00 -1.26 -4.63 105.19 100.94 1yaj n GLY 142 Ca -0.12 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.84 1yaj n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yaj n GLY 143 N 0.00 0.57 2.21 -0.02 0.00 -1.26 -2.14 105.19 104.55 1yaj n GLY 143 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1yaj n GLY 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1yaj n LEU 144 N -0.69 -1.48 0.00 0.99 4.77 -1.26 -4.88 117.00 114.45 1yaj n LEU 144 Ca -0.06 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1yaj n LEU 144 Cb 0.55 -1.76 0.00 0.00 -2.33 0.00 0.00 43.42 39.88 1yaj n LEU 144 CO 0.09 -0.12 -0.22 0.23 -1.33 0.00 0.00 177.39 176.04 1yaj n MET 145 N -2.04 1.56 -4.04 3.23 2.81 -0.91 -0.30 117.12 117.43 1yaj n MET 145 Ca -0.13 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.67 1yaj n MET 145 Cb 0.59 -0.72 -0.08 0.00 -0.71 0.00 0.00 33.22 32.30 1yaj n MET 145 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1yaj s VAL 146 N -1.45 0.10 0.00 2.03 -7.23 -1.19 -4.44 120.40 108.22 1yaj s VAL 146 Ca 0.00 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 58.55 1yaj s VAL 146 Cb 0.00 -1.87 0.00 0.00 0.56 0.00 0.00 36.38 35.07 1yaj s VAL 146 CO 0.00 -0.44 0.00 0.61 -0.31 0.00 0.00 175.10 174.96 1yaj n GLY 147 N -0.13 3.25 3.20 2.32 0.00 -1.26 -4.24 105.19 108.32 1yaj n GLY 147 Ca -0.07 -1.77 -0.09 0.00 0.00 0.00 0.00 46.02 44.09 1yaj n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj s ALA 148 N -2.09 0.31 0.13 4.61 0.00 -1.26 -4.67 121.76 118.78 1yaj s ALA 148 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.90 1yaj s ALA 148 Cb 0.00 0.64 -0.13 0.00 0.00 0.00 0.00 23.12 23.63 1yaj s ALA 148 CO 0.00 -0.51 1.28 0.00 0.00 0.00 0.00 175.76 176.54 1yaj h ALA 149 N 2.82 0.35 0.00 0.00 0.00 -1.92 -3.24 119.26 117.28 1yaj h ALA 149 Ca -0.34 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 53.78 1yaj h ALA 149 Cb 1.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1yaj h ALA 149 CO 0.57 0.96 0.06 0.77 0.00 0.00 0.00 179.25 181.62 1yaj h SER 150 N 0.10 0.00 -0.85 0.00 0.02 -1.91 -2.02 113.55 108.89 1yaj h SER 150 Ca -0.07 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.86 1yaj h SER 150 Cb 1.69 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 64.19 1yaj h SER 150 CO 0.16 0.00 0.46 0.74 -1.14 0.00 0.00 176.83 177.05 1yaj h THR 151 N 0.00 1.25 -3.58 -2.27 2.02 -1.95 -3.40 112.91 104.98 1yaj h THR 151 Ca 0.00 -0.62 -0.66 0.00 0.77 0.00 0.00 66.41 65.90 1yaj h THR 151 Cb 0.12 0.11 -0.16 0.00 -1.74 0.00 0.00 68.15 66.48 1yaj h THR 151 CO 0.00 0.28 -0.02 -0.31 0.37 0.00 0.00 175.52 175.84 1yaj s TYR 152 N -5.84 3.14 0.05 3.16 1.51 -0.76 -4.16 117.35 114.44 1yaj s TYR 152 Ca -0.13 -0.02 -0.26 0.00 -1.01 0.00 0.00 57.07 55.65 1yaj s TYR 152 Cb 0.16 -3.07 -0.05 0.00 -0.11 0.00 0.00 41.96 38.89 1yaj s TYR 152 CO 0.82 -0.69 0.80 0.34 -1.11 0.00 0.00 175.55 175.71 1yaj s ASP 153 N 1.85 7.25 0.00 2.29 3.68 -1.26 -4.94 116.67 125.54 1yaj s ASP 153 Ca 0.19 1.50 0.18 0.00 2.13 0.00 0.00 52.55 56.55 1yaj s ASP 153 Cb -0.15 -2.49 0.52 0.00 -1.45 0.00 0.00 42.92 39.35 1yaj s ASP 153 CO 0.15 -0.01 1.44 0.61 0.13 0.00 0.00 175.17 177.49 1yaj n GLY 154 N 2.41 2.59 0.21 2.66 0.00 -1.26 -4.62 105.19 107.17 1yaj n GLY 154 Ca -0.01 -0.65 -0.15 0.00 0.00 0.00 0.00 46.02 45.21 1yaj n GLY 154 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1yaj h LEU 155 N 3.49 -0.38 0.19 0.99 5.85 -1.94 -2.12 115.31 121.38 1yaj h LEU 155 Ca 0.00 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1yaj h LEU 155 Cb 0.90 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 1yaj h LEU 155 CO 0.00 -0.26 -0.53 0.00 -0.34 0.00 0.00 178.44 177.32 1yaj h ALA 156 N 0.18 -1.03 -0.10 1.25 0.00 -1.85 -1.40 119.26 116.31 1yaj h ALA 156 Ca -0.05 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1yaj h ALA 156 Cb 0.36 0.88 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1yaj h ALA 156 CO 0.08 -1.14 -0.05 1.25 0.00 0.00 0.00 179.25 179.38 1yaj h LEU 157 N -0.81 -0.16 -0.06 0.00 5.85 -1.83 -0.32 115.31 117.99 1yaj h LEU 157 Ca -0.02 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1yaj h LEU 157 Cb 0.78 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 1yaj h LEU 157 CO -0.25 -0.07 -0.15 0.00 -0.34 0.00 0.00 178.44 177.63 1yaj h ALA 158 N 1.06 -0.13 0.54 1.25 0.00 -1.30 -2.34 119.26 118.33 1yaj h ALA 158 Ca 0.06 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1yaj h ALA 158 Cb 0.13 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1yaj h ALA 158 CO -0.13 -0.63 -0.35 0.00 0.00 0.00 0.00 179.25 178.14 1yaj h ALA 159 N 0.76 -1.15 0.04 0.00 0.00 -1.01 -0.45 119.26 117.45 1yaj h ALA 159 Ca 0.07 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1yaj h ALA 159 Cb 0.32 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1yaj h ALA 159 CO -0.19 -1.13 -0.23 0.45 0.00 0.00 0.00 179.25 178.15 1yaj h HIS 160 N -0.84 -0.62 -0.28 0.00 -0.00 -1.05 -3.20 115.15 109.16 1yaj h HIS 160 Ca -0.07 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.32 1yaj h HIS 160 Cb 0.68 0.27 0.00 0.00 -0.00 0.00 0.00 27.41 28.36 1yaj h HIS 160 CO -0.06 -0.32 0.00 0.39 -0.00 0.00 0.00 177.93 177.94 1yaj n GLU 161 N -5.36 2.39 -3.27 2.45 -0.58 -0.88 -5.01 120.64 110.38 1yaj n GLU 161 Ca -0.05 -2.09 -0.18 0.00 -0.42 0.00 0.00 57.16 54.42 1yaj n GLU 161 Cb 0.27 -1.49 0.01 0.00 -0.57 0.00 0.00 31.44 29.66 1yaj n GLU 161 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1yaj n ASN 162 N 1.34 -6.62 -3.78 1.62 4.05 -0.19 -5.02 115.26 106.66 1yaj n ASN 162 Ca 0.18 -0.11 -0.11 0.00 0.45 0.00 0.00 54.58 54.99 1yaj n ASN 162 Cb 0.58 -3.61 -0.08 0.00 1.23 0.00 0.00 39.78 37.91 1yaj n ASN 162 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1yaj s VAL 163 N -2.48 0.09 -0.40 3.44 -7.23 -1.13 -4.65 120.40 108.03 1yaj s VAL 163 Ca 0.17 -0.71 -0.24 0.00 -1.81 0.00 0.00 61.98 59.40 1yaj s VAL 163 Cb -0.03 -0.90 0.02 0.00 0.56 0.00 0.00 36.38 36.02 1yaj s VAL 163 CO 0.82 -0.39 0.82 -0.69 -0.31 0.00 0.00 175.10 175.35 1yaj s VAL 164 N -2.45 4.65 -0.07 1.32 1.01 -0.06 -4.04 120.40 120.76 1yaj s VAL 164 Ca -0.06 0.76 -0.11 0.00 0.00 0.00 0.00 61.98 62.57 1yaj s VAL 164 Cb -0.01 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 1yaj s VAL 164 CO -0.03 -0.59 0.28 -0.69 0.00 0.00 0.00 175.10 174.07 1yaj s VAL 165 N 3.29 5.26 -0.11 2.92 1.01 0.22 -0.50 120.40 132.49 1yaj s VAL 165 Ca 0.32 0.54 -0.01 0.00 0.00 0.00 0.00 61.98 62.83 1yaj s VAL 165 Cb -0.12 -3.57 0.03 0.00 0.00 0.00 0.00 36.38 32.72 1yaj s VAL 165 CO 0.20 0.58 -0.05 -0.69 0.00 0.00 0.00 175.10 175.14 1yaj s VAL 166 N -0.91 0.83 -0.36 2.92 1.01 -0.65 -0.95 120.40 122.29 1yaj s VAL 166 Ca 0.19 -0.21 -0.12 0.00 0.00 0.00 0.00 61.98 61.84 1yaj s VAL 166 Cb -0.14 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.32 1yaj s VAL 166 CO 0.08 0.30 0.23 0.42 0.00 0.00 0.00 175.10 176.13 1yaj s THR 167 N 1.78 4.94 0.30 3.92 -4.23 -0.41 0.39 115.64 122.33 1yaj s THR 167 Ca 0.04 -0.56 0.07 0.00 -1.18 0.00 0.00 61.69 60.06 1yaj s THR 167 Cb -0.13 -3.66 -0.02 0.00 1.34 0.00 0.00 72.50 70.03 1yaj s THR 167 CO -0.07 -0.14 0.34 0.27 -0.54 0.00 0.00 174.62 174.48 1yaj s ILE 168 N 1.64 4.16 0.23 2.99 -4.36 -1.14 0.56 121.20 125.28 1yaj s ILE 168 Ca 0.04 -1.20 0.07 0.00 -0.26 0.00 0.00 60.65 59.31 1yaj s ILE 168 Cb -0.18 -3.41 -0.05 0.00 1.25 0.00 0.00 42.46 40.07 1yaj s ILE 168 CO 0.08 -0.23 -0.11 -1.10 0.24 0.00 0.00 174.94 173.83 1yaj s GLN 169 N -4.02 1.39 -0.10 0.37 -0.21 -1.05 -4.41 119.66 111.63 1yaj s GLN 169 Ca 0.39 -1.65 -0.26 0.00 0.02 0.00 0.00 55.36 53.86 1yaj s GLN 169 Cb -0.08 -1.09 0.06 0.00 1.00 0.00 0.00 33.01 32.91 1yaj s GLN 169 CO 0.28 0.12 0.62 1.52 -2.12 0.00 0.00 175.29 175.71 1yaj s TYR 170 N -3.02 -0.60 0.60 0.91 1.13 -1.26 -4.63 117.35 110.47 1yaj s TYR 170 Ca 0.25 1.17 -0.19 0.00 -1.41 0.00 0.00 57.07 56.89 1yaj s TYR 170 Cb 0.01 0.32 -0.05 0.00 -1.10 0.00 0.00 41.96 41.14 1yaj s TYR 170 CO 0.08 -0.50 0.97 0.54 -2.51 0.00 0.00 175.55 174.12 1yaj n ARG 171 N 1.46 0.91 -4.45 -3.49 1.74 -1.26 -4.89 116.66 106.67 1yaj n ARG 171 Ca -0.18 0.35 -0.22 0.00 -0.77 0.00 0.00 57.85 57.04 1yaj n ARG 171 Cb 0.56 -2.17 -0.11 0.00 -1.02 0.00 0.00 32.46 29.73 1yaj n ARG 171 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1yaj s LEU 172 N -1.99 2.24 0.00 0.55 1.43 -1.26 -4.28 118.68 115.36 1yaj s LEU 172 Ca 0.75 -1.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.49 1yaj s LEU 172 Cb -0.42 -0.42 0.00 0.00 0.03 0.00 0.00 46.19 45.38 1yaj s LEU 172 CO 0.47 -0.58 0.00 0.61 0.23 0.00 0.00 176.35 177.08 1yaj n GLY 173 N -0.69 1.00 0.36 -3.19 0.00 0.59 -2.02 105.19 101.25 1yaj n GLY 173 Ca -0.03 -0.50 0.01 0.00 0.00 0.00 0.00 46.02 45.50 1yaj n GLY 173 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1yaj n ILE 174 N 0.00 -0.47 -0.35 -0.61 5.41 -1.26 -0.56 119.36 121.52 1yaj n ILE 174 Ca 0.00 2.20 0.12 0.00 1.00 0.00 0.00 62.75 66.07 1yaj n ILE 174 Cb 0.00 -2.94 0.31 0.00 -0.71 0.00 0.00 39.64 36.30 1yaj n ILE 174 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 1yaj h TRP 175 N 0.00 1.06 -0.01 1.39 6.55 -1.85 -2.45 115.95 120.63 1yaj h TRP 175 Ca 0.36 0.03 0.00 0.00 0.95 0.00 0.00 58.89 60.24 1yaj h TRP 175 Cb 0.60 -0.32 0.00 0.00 -0.86 0.00 0.00 29.16 28.58 1yaj h TRP 175 CO -0.80 0.24 -0.01 0.41 -1.05 0.00 0.00 178.44 177.23 1yaj n GLY 176 N -1.33 -0.48 0.46 1.49 0.00 -0.06 -4.35 105.19 100.92 1yaj n GLY 176 Ca 0.23 -0.27 0.01 0.00 0.00 0.00 0.00 46.02 45.98 1yaj n GLY 176 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1yaj n PHE 177 N 0.49 0.00 -2.70 1.61 3.72 0.28 0.26 117.46 121.12 1yaj n PHE 177 Ca 0.05 -0.07 -0.43 0.00 -0.05 0.00 0.00 57.45 56.96 1yaj n PHE 177 Cb 0.24 -0.06 -0.03 0.00 -0.94 0.00 0.00 39.48 38.69 1yaj n PHE 177 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 1yaj s PHE 178 N -0.19 2.85 0.03 1.38 2.19 -0.93 -4.24 117.98 119.07 1yaj s PHE 178 Ca 0.02 0.54 0.07 0.00 0.33 0.00 0.00 56.93 57.89 1yaj s PHE 178 Cb 0.02 -4.24 -0.02 0.00 -1.31 0.00 0.00 43.02 37.46 1yaj s PHE 178 CO 0.00 -1.22 -0.20 0.45 1.83 0.00 0.00 175.22 176.08 1yaj s SER 179 N 2.42 2.42 0.00 6.13 0.15 -1.26 -4.26 113.70 119.29 1yaj s SER 179 Ca 0.43 -0.48 0.18 0.00 0.70 0.00 0.00 55.95 56.78 1yaj s SER 179 Cb -0.08 -0.21 0.19 0.00 -1.71 0.00 0.00 66.02 64.21 1yaj s SER 179 CO 0.29 0.17 1.13 0.35 1.20 0.00 0.00 173.24 176.38 1yaj n THR 180 N 2.01 0.13 0.00 6.45 -2.24 -0.57 -4.49 114.28 115.57 1yaj n THR 180 Ca -0.17 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 1yaj n THR 180 Cb 0.53 1.27 0.00 0.00 -2.10 0.00 0.00 70.33 70.03 1yaj n THR 180 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yaj n GLY 181 N 1.06 2.55 3.63 3.38 0.00 -1.26 -4.25 105.19 110.31 1yaj n GLY 181 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1yaj n GLY 181 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1yaj s ASP 182 N -2.18 3.53 0.57 1.61 -4.77 -1.26 -4.99 116.67 109.18 1yaj s ASP 182 Ca 0.00 -1.56 0.33 0.00 -3.30 0.00 0.00 52.55 48.02 1yaj s ASP 182 Cb 0.00 0.24 1.81 0.00 -1.09 0.00 0.00 42.92 43.88 1yaj s ASP 182 CO 0.00 -0.75 2.01 1.05 0.70 0.00 0.00 175.17 178.18 1yaj h GLU 183 N 1.64 0.00 0.00 2.11 9.09 -1.97 -1.65 114.58 123.80 1yaj h GLU 183 Ca -0.42 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.99 1yaj h GLU 183 Cb 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.38 1yaj h GLU 183 CO 0.71 0.00 0.00 0.45 0.05 0.00 0.00 179.01 180.22 1yaj h HIS 184 N 0.00 0.00 -0.01 2.06 3.86 -1.96 -3.38 115.15 115.73 1yaj h HIS 184 Ca 0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 1yaj h HIS 184 Cb 0.25 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 28.58 1yaj h HIS 184 CO 0.00 0.00 -0.02 0.45 0.86 0.00 0.00 177.93 179.22 1yaj n SER 185 N -2.54 -1.20 -0.25 2.45 2.88 -0.67 -4.94 113.62 109.36 1yaj n SER 185 Ca 0.00 -1.60 0.05 0.00 -1.33 0.00 0.00 58.87 55.99 1yaj n SER 185 Cb 0.18 0.64 0.17 0.00 -0.75 0.00 0.00 64.21 64.45 1yaj n SER 185 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1yaj h ARG 186 N 3.19 0.22 0.00 -1.46 3.08 -1.63 -1.52 114.38 116.26 1yaj h ARG 186 Ca -0.22 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.82 1yaj h ARG 186 Cb 1.21 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.21 1yaj h ARG 186 CO -0.22 0.15 0.00 0.41 -1.07 0.00 0.00 179.97 179.24 1yaj n GLY 187 N -1.36 -1.04 2.95 0.04 0.00 -1.26 -4.61 105.19 99.91 1yaj n GLY 187 Ca 0.14 -2.12 -0.21 0.00 0.00 0.00 0.00 46.02 43.83 1yaj n GLY 187 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1yaj n ASN 188 N 0.00 -5.13 -0.30 1.61 3.02 -1.25 -4.86 115.26 108.35 1yaj n ASN 188 Ca 0.00 -0.21 -0.01 0.00 -0.03 0.00 0.00 54.58 54.33 1yaj n ASN 188 Cb 0.00 -4.20 0.12 0.00 -0.61 0.00 0.00 39.78 35.09 1yaj n ASN 188 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 1yaj h TRP 189 N -0.90 0.96 -0.81 3.10 4.06 -0.82 -0.95 115.95 120.60 1yaj h TRP 189 Ca -0.47 0.03 -0.00 0.00 2.06 0.00 0.00 58.89 60.51 1yaj h TRP 189 Cb 1.32 -0.31 -0.04 0.00 -1.00 0.00 0.00 29.16 29.13 1yaj h TRP 189 CO 0.60 0.51 0.50 0.78 -3.56 0.00 0.00 178.44 177.27 1yaj h GLY 190 N 0.97 1.16 0.96 1.49 0.00 -0.38 0.46 103.07 107.73 1yaj h GLY 190 Ca 0.35 -0.47 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 1yaj h GLY 190 CO -0.15 0.46 0.05 0.45 0.00 0.00 0.00 176.54 177.35 1yaj h HIS 191 N 1.10 0.79 0.00 5.60 3.86 -1.65 0.31 115.15 125.16 1yaj h HIS 191 Ca 0.29 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 1yaj h HIS 191 Cb -0.07 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.19 1yaj h HIS 191 CO -0.01 0.76 -0.06 -0.07 0.86 0.00 0.00 177.93 179.41 1yaj h LEU 192 N 0.59 0.00 -0.14 2.43 3.38 -0.72 0.44 115.31 121.29 1yaj h LEU 192 Ca 0.13 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.87 1yaj h LEU 192 Cb 0.41 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.17 1yaj h LEU 192 CO 0.01 0.06 -0.97 0.44 0.09 0.00 0.00 178.44 178.07 1yaj h ASP 193 N 0.00 0.59 0.15 -0.43 5.19 0.25 -1.72 116.42 120.45 1yaj h ASP 193 Ca -0.00 -0.48 -0.09 0.00 -0.62 0.00 0.00 57.03 55.84 1yaj h ASP 193 Cb 0.22 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 1yaj h ASP 193 CO 0.01 1.28 -0.33 1.56 -3.12 0.00 0.00 179.24 178.64 1yaj h GLN 194 N 0.25 0.27 -0.12 3.56 4.20 0.96 -1.99 115.11 122.25 1yaj h GLN 194 Ca -0.09 -0.11 -0.20 0.00 0.06 0.00 0.00 58.65 58.31 1yaj h GLN 194 Cb 1.61 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.38 1yaj h GLN 194 CO 0.17 0.58 -0.74 0.28 -0.67 0.00 0.00 178.83 178.45 1yaj h VAL 195 N 0.24 1.32 -0.15 -0.54 2.07 -0.89 -2.79 116.25 115.50 1yaj h VAL 195 Ca 0.03 -2.03 -0.08 0.00 0.82 0.00 0.00 66.70 65.44 1yaj h VAL 195 Cb 0.71 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 1yaj h VAL 195 CO 0.05 0.63 -0.24 0.00 0.02 0.00 0.00 177.57 178.03 1yaj h ALA 196 N 0.76 1.31 -0.06 1.67 0.00 -1.00 -1.21 119.26 120.72 1yaj h ALA 196 Ca -0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1yaj h ALA 196 Cb 1.34 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1yaj h ALA 196 CO 0.14 0.47 -0.01 0.00 0.00 0.00 0.00 179.25 179.85 1yaj h ALA 197 N 1.50 0.09 -0.91 0.00 0.00 -1.30 -2.58 119.26 116.07 1yaj h ALA 197 Ca 0.04 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1yaj h ALA 197 Cb 0.57 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1yaj h ALA 197 CO 0.04 -0.22 0.60 -0.07 0.00 0.00 0.00 179.25 179.59 1yaj h LEU 198 N -0.19 1.05 -1.71 0.00 3.38 -1.21 -0.48 115.31 116.15 1yaj h LEU 198 Ca 0.02 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1yaj h LEU 198 Cb 0.37 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1yaj h LEU 198 CO 0.00 0.77 -0.06 -0.09 0.09 0.00 0.00 178.44 179.16 1yaj h ARG 199 N 1.24 0.11 -0.08 1.13 2.43 -1.14 -0.82 114.38 117.25 1yaj h ARG 199 Ca 0.33 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.35 1yaj h ARG 199 Cb -0.13 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 1yaj h ARG 199 CO -0.07 0.18 -0.55 2.35 -1.51 0.00 0.00 179.97 180.36 1yaj h TRP 200 N 0.11 0.30 0.15 2.20 7.01 -0.69 -2.58 115.95 122.44 1yaj h TRP 200 Ca 0.03 -0.10 -0.01 0.00 2.11 0.00 0.00 58.89 60.91 1yaj h TRP 200 Cb 0.18 -0.06 0.00 0.00 -2.10 0.00 0.00 29.16 27.18 1yaj h TRP 200 CO 0.00 0.74 -0.07 0.28 -2.79 0.00 0.00 178.44 176.60 1yaj h VAL 201 N 0.18 0.97 0.00 2.65 2.07 -0.61 -0.02 116.25 121.50 1yaj h VAL 201 Ca 0.00 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 1yaj h VAL 201 Cb 1.03 1.31 -0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1yaj h VAL 201 CO 0.09 0.13 -0.01 1.56 0.02 0.00 0.00 177.57 179.36 1yaj h GLN 202 N -0.47 0.00 -0.14 1.57 1.08 -1.22 -0.71 115.11 115.23 1yaj h GLN 202 Ca -0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1yaj h GLN 202 Cb 0.37 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 1yaj h GLN 202 CO 0.03 0.01 0.00 -0.25 -0.95 0.00 0.00 178.83 177.67 1yaj n ASP 203 N -3.17 2.53 0.00 1.46 8.00 -0.98 -4.80 116.55 119.59 1yaj n ASP 203 Ca -0.02 -1.73 0.00 0.00 0.71 0.00 0.00 54.79 53.75 1yaj n ASP 203 Cb 0.15 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 1yaj n ASP 203 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1yaj n ASN 204 N 0.86 0.00 -0.45 -2.24 3.02 -0.05 -4.67 115.26 111.73 1yaj n ASN 204 Ca 0.11 0.00 0.38 0.00 -0.03 0.00 0.00 54.58 55.03 1yaj n ASN 204 Cb 0.41 0.02 0.58 0.00 -0.61 0.00 0.00 39.78 40.18 1yaj n ASN 204 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yaj n ILE 205 N -2.08 0.00 -0.12 2.41 0.13 -0.31 0.25 119.36 119.64 1yaj n ILE 205 Ca 0.00 1.20 -0.05 0.00 -1.10 0.00 0.00 62.75 62.80 1yaj n ILE 205 Cb 0.00 -2.05 0.02 0.00 -0.84 0.00 0.00 39.64 36.77 1yaj n ILE 205 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1yaj h ALA 206 N 0.69 0.28 0.00 1.51 0.00 -1.76 0.62 119.26 120.61 1yaj h ALA 206 Ca 0.66 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.72 1yaj h ALA 206 Cb 2.96 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 21.04 1yaj h ALA 206 CO -0.01 -0.44 -0.02 0.77 0.00 0.00 0.00 179.25 179.55 1yaj h SER 207 N 0.02 0.00 -0.42 0.00 0.02 -0.49 -1.76 113.55 110.92 1yaj h SER 207 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1yaj h SER 207 Cb 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1yaj h SER 207 CO -0.40 0.02 0.00 0.49 -1.14 0.00 0.00 176.83 175.80 1yaj n PHE 208 N -4.01 1.16 -0.48 3.45 3.01 -0.53 -4.87 117.46 115.19 1yaj n PHE 208 Ca -0.03 -0.43 0.00 0.00 1.01 0.00 0.00 57.45 58.00 1yaj n PHE 208 Cb 0.11 -0.26 0.00 0.00 -0.01 0.00 0.00 39.48 39.32 1yaj n PHE 208 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yaj n GLY 209 N 0.69 0.76 3.89 1.37 0.00 -0.66 -4.74 105.19 106.50 1yaj n GLY 209 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1yaj n GLY 209 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1yaj s GLY 210 N -1.94 2.27 -0.78 -0.02 0.00 0.10 -0.27 107.32 106.68 1yaj s GLY 210 Ca 0.00 -0.51 -0.16 0.00 0.00 0.00 0.00 44.72 44.05 1yaj s GLY 210 CO 0.00 -0.38 0.78 0.21 0.00 0.00 0.00 173.10 173.71 1yaj s ASN 211 N -2.13 6.61 0.30 1.64 2.47 0.11 -3.26 114.94 120.67 1yaj s ASN 211 Ca 0.37 -2.34 0.08 0.00 0.42 0.00 0.00 52.86 51.39 1yaj s ASN 211 Cb -0.13 -2.25 0.42 0.00 -1.45 0.00 0.00 41.25 37.85 1yaj s ASN 211 CO 0.21 -0.75 1.07 -0.81 -3.72 0.00 0.00 177.10 173.11 1yaj n PRO 212 N 4.80 0.06 0.00 0.43 -0.04 -1.26 0.12 135.00 139.10 1yaj n PRO 212 Ca 0.09 0.51 0.13 0.00 -0.04 0.00 0.00 63.50 64.19 1yaj n PRO 212 Cb 0.46 -2.14 0.39 0.00 -0.04 0.00 0.00 33.50 32.17 1yaj n PRO 212 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1yaj n GLY 213 N -1.26 -1.05 2.28 0.55 0.00 -1.26 -4.33 105.19 100.11 1yaj n GLY 213 Ca -0.01 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.44 1yaj n GLY 213 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yaj n SER 214 N -1.18 1.37 -4.75 1.61 2.88 0.32 -4.87 113.62 109.00 1yaj n SER 214 Ca 0.09 -2.94 -0.35 0.00 -1.33 0.00 0.00 58.87 54.34 1yaj n SER 214 Cb 0.33 -0.65 -0.08 0.00 -0.75 0.00 0.00 64.21 63.06 1yaj n SER 214 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1yaj s VAL 215 N -1.59 5.28 -0.12 2.46 1.01 -1.26 -2.18 120.40 124.01 1yaj s VAL 215 Ca 0.36 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.51 1yaj s VAL 215 Cb 0.16 -3.38 0.01 0.00 0.00 0.00 0.00 36.38 33.17 1yaj s VAL 215 CO -0.08 0.49 -0.20 -0.89 0.00 0.00 0.00 175.10 174.42 1yaj s THR 216 N -0.00 1.84 0.00 3.92 2.01 0.48 -0.06 115.64 123.84 1yaj s THR 216 Ca 0.09 -0.86 -0.01 0.00 0.31 0.00 0.00 61.69 61.22 1yaj s THR 216 Cb -0.11 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 70.72 1yaj s THR 216 CO -0.00 0.51 0.10 0.27 -0.69 0.00 0.00 174.62 174.81 1yaj s ILE 217 N 0.77 4.83 -0.17 1.82 -4.36 -0.54 0.79 121.20 124.34 1yaj s ILE 217 Ca -0.09 -0.39 -0.23 0.00 -0.26 0.00 0.00 60.65 59.67 1yaj s ILE 217 Cb -0.16 -3.23 0.06 0.00 1.25 0.00 0.00 42.46 40.38 1yaj s ILE 217 CO 0.00 0.33 0.60 0.72 0.24 0.00 0.00 174.94 176.83 1yaj s PHE 218 N -1.23 -0.62 0.16 1.37 -0.71 -0.38 -0.08 117.98 116.49 1yaj s PHE 218 Ca 0.24 1.40 -0.16 0.00 -1.04 0.00 0.00 56.93 57.37 1yaj s PHE 218 Cb -0.12 0.26 0.03 0.00 -1.21 0.00 0.00 43.02 41.98 1yaj s PHE 218 CO 0.15 -0.39 0.45 0.20 -1.34 0.00 0.00 175.22 174.29 1yaj s GLY 219 N -0.16 -0.16 0.22 1.99 0.00 -0.91 -1.36 107.32 106.95 1yaj s GLY 219 Ca -0.04 -0.15 0.10 0.00 0.00 0.00 0.00 44.72 44.62 1yaj s GLY 219 CO 0.03 -0.30 -0.09 1.85 0.00 0.00 0.00 173.10 174.59 1yaj s GLU 220 N -3.84 2.06 5.84 2.90 -6.30 -1.24 -0.43 118.70 117.69 1yaj s GLU 220 Ca 0.06 -1.38 0.00 0.00 -2.50 0.00 0.00 54.97 51.16 1yaj s GLU 220 Cb 0.01 -2.10 0.00 0.00 0.00 0.00 0.00 34.13 32.03 1yaj s GLU 220 CO -0.07 0.40 0.00 0.45 0.02 0.00 0.00 175.26 176.06 1yaj n SER 221 N -0.28 0.00 0.27 -1.70 2.88 -0.61 0.15 113.62 114.33 1yaj n SER 221 Ca -0.09 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.57 1yaj n SER 221 Cb 0.57 0.00 0.77 0.00 -0.75 0.00 0.00 64.21 64.80 1yaj n SER 221 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yaj h ALA 222 N -0.73 1.50 -0.12 -1.46 0.00 -1.87 -0.20 119.26 116.38 1yaj h ALA 222 Ca 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1yaj h ALA 222 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1yaj h ALA 222 CO 0.00 0.09 -0.16 0.78 0.00 0.00 0.00 179.25 179.96 1yaj h GLY 223 N 0.38 0.21 0.55 0.00 0.00 -0.27 -0.50 103.07 103.43 1yaj h GLY 223 Ca -0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.16 1yaj h GLY 223 CO 0.01 0.12 -0.11 -1.33 0.00 0.00 0.00 176.54 175.23 1yaj h GLY 224 N 0.75 0.17 0.24 4.60 0.00 -0.80 -2.62 103.07 105.42 1yaj h GLY 224 Ca 0.04 -0.21 0.12 0.00 0.00 0.00 0.00 47.33 47.27 1yaj h GLY 224 CO 0.02 0.19 0.22 -2.09 0.00 0.00 0.00 176.54 174.89 1yaj h GLU 225 N -0.37 0.37 -0.45 4.80 4.22 -1.05 0.15 114.58 122.25 1yaj h GLU 225 Ca -0.00 -0.02 0.08 0.00 0.08 0.00 0.00 59.36 59.50 1yaj h GLU 225 Cb 0.71 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.81 1yaj h GLU 225 CO 0.02 0.24 0.06 0.77 -2.18 0.00 0.00 179.01 177.93 1yaj h SER 226 N 0.38 -0.05 0.16 1.04 0.02 -1.03 0.23 113.55 114.29 1yaj h SER 226 Ca 0.35 0.09 0.01 0.00 -0.84 0.00 0.00 61.79 61.39 1yaj h SER 226 Cb 0.49 0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.13 1yaj h SER 226 CO -0.37 0.00 -0.46 0.58 -1.14 0.00 0.00 176.83 175.44 1yaj h VAL 227 N 0.19 0.00 -0.66 2.27 2.07 -0.36 0.20 116.25 119.97 1yaj h VAL 227 Ca 0.22 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.88 1yaj h VAL 227 Cb 0.30 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.96 1yaj h VAL 227 CO -0.32 0.00 -0.05 -1.28 0.02 0.00 0.00 177.57 175.94 1yaj h SER 228 N -0.70 -0.40 -0.36 0.57 0.87 -0.51 0.67 113.55 113.69 1yaj h SER 228 Ca -0.01 0.18 0.07 0.00 -1.23 0.00 0.00 61.79 60.79 1yaj h SER 228 Cb 0.68 0.33 -0.06 0.00 -0.44 0.00 0.00 62.40 62.91 1yaj h SER 228 CO -0.22 -0.16 -0.04 0.58 -0.53 0.00 0.00 176.83 176.45 1yaj h VAL 229 N 0.07 0.69 0.02 2.23 2.07 0.41 -0.13 116.25 121.60 1yaj h VAL 229 Ca 0.34 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.86 1yaj h VAL 229 Cb 0.55 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1yaj h VAL 229 CO -0.60 0.01 -0.12 -0.07 0.02 0.00 0.00 177.57 176.80 1yaj h LEU 230 N 0.05 -0.35 -1.92 2.57 3.38 0.15 0.85 115.31 120.04 1yaj h LEU 230 Ca 0.17 0.05 0.22 0.00 0.09 0.00 0.00 57.88 58.41 1yaj h LEU 230 Cb 0.26 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1yaj h LEU 230 CO -0.33 -0.17 0.56 0.58 0.09 0.00 0.00 178.44 179.16 1yaj h VAL 231 N -0.21 0.63 0.00 1.22 2.07 -0.11 0.31 116.25 120.15 1yaj h VAL 231 Ca 0.04 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 1yaj h VAL 231 Cb 0.26 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1yaj h VAL 231 CO -0.11 0.01 -1.30 0.18 0.02 0.00 0.00 177.57 176.38 1yaj n LEU 232 N -4.34 0.61 -4.74 2.57 4.77 -0.15 -4.92 117.00 110.80 1yaj n LEU 232 Ca 0.16 0.23 -0.41 0.00 -0.03 0.00 0.00 56.01 55.97 1yaj n LEU 232 Cb 0.82 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.83 1yaj n LEU 232 CO 0.37 -0.13 0.81 -0.55 -1.33 0.00 0.00 177.39 176.56 1yaj s SER 233 N -5.13 7.24 0.27 -1.43 0.15 0.28 -4.94 113.70 110.14 1yaj s SER 233 Ca -0.03 2.11 0.07 0.00 0.70 0.00 0.00 55.95 58.80 1yaj s SER 233 Cb 0.11 -2.60 0.37 0.00 -1.71 0.00 0.00 66.02 62.19 1yaj s SER 233 CO 0.82 -0.24 1.64 -0.65 1.20 0.00 0.00 173.24 176.01 1yaj h PRO 234 N 5.11 0.19 -0.42 5.44 0.11 -1.82 -3.11 132.00 137.51 1yaj h PRO 234 Ca -0.44 -0.11 -0.12 0.00 0.11 0.00 0.00 66.00 65.43 1yaj h PRO 234 Cb 1.21 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1yaj h PRO 234 CO 0.73 0.66 -0.22 -0.07 -0.21 0.00 0.00 178.00 178.89 1yaj h LEU 235 N 0.15 0.92 -0.79 2.35 3.38 -1.85 -2.79 115.31 116.69 1yaj h LEU 235 Ca 0.00 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1yaj h LEU 235 Cb 0.96 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1yaj h LEU 235 CO 0.08 1.13 0.00 0.00 0.09 0.00 0.00 178.44 179.73 1yaj n ALA 236 N -2.50 1.07 -1.58 1.53 0.00 -1.17 -4.75 120.51 113.11 1yaj n ALA 236 Ca -0.01 0.11 -0.38 0.00 0.00 0.00 0.00 53.44 53.15 1yaj n ALA 236 Cb 0.45 -1.19 0.04 0.00 0.00 0.00 0.00 19.45 18.75 1yaj n ALA 236 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1yaj n LYS 237 N -1.93 0.90 -0.45 0.00 4.81 -1.05 -1.71 118.16 118.73 1yaj n LYS 237 Ca -0.01 0.34 0.00 0.00 -0.87 0.00 0.00 58.31 57.78 1yaj n LYS 237 Cb 0.03 -2.04 0.00 0.00 0.02 0.00 0.00 35.03 33.04 1yaj n LYS 237 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1yaj n ASN 238 N -0.25 0.00 0.02 3.14 3.02 -1.26 -4.76 115.26 115.17 1yaj n ASN 238 Ca 0.12 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.79 1yaj n ASN 238 Cb 0.46 -1.50 0.07 0.00 -0.61 0.00 0.00 39.78 38.20 1yaj n ASN 238 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1yaj n LEU 239 N 0.00 0.65 -3.67 3.41 4.77 -0.70 -4.95 117.00 116.52 1yaj n LEU 239 Ca 0.00 -0.08 -0.13 0.00 -0.03 0.00 0.00 56.01 55.77 1yaj n LEU 239 Cb 0.00 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 40.90 1yaj n LEU 239 CO 0.00 0.09 0.15 0.72 -1.33 0.00 0.00 177.39 177.03 1yaj s PHE 240 N -3.11 -0.27 -0.10 -1.77 -0.71 -1.26 -4.88 117.98 105.89 1yaj s PHE 240 Ca 0.06 0.25 0.01 0.00 -1.04 0.00 0.00 56.93 56.21 1yaj s PHE 240 Cb 0.15 0.22 0.00 0.00 -1.21 0.00 0.00 43.02 42.18 1yaj s PHE 240 CO 0.78 -0.56 0.37 0.72 -1.34 0.00 0.00 175.22 175.19 1yaj n HIS 241 N 0.55 0.00 -3.63 3.49 8.25 0.92 -4.96 115.22 119.84 1yaj n HIS 241 Ca -0.19 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.15 1yaj n HIS 241 Cb 0.60 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.64 1yaj n HIS 241 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1yaj s ARG 242 N -0.40 0.80 0.04 -0.41 0.52 -1.19 -3.93 118.95 114.37 1yaj s ARG 242 Ca 0.01 1.02 0.04 0.00 -0.52 0.00 0.00 55.73 56.27 1yaj s ARG 242 Cb 0.01 0.35 -0.02 0.00 0.52 0.00 0.00 34.95 35.81 1yaj s ARG 242 CO 0.02 -0.11 -0.11 0.00 0.02 0.00 0.00 175.30 175.12 1yaj s ALA 243 N 0.59 0.89 -0.19 2.13 0.00 -0.87 -1.47 121.76 122.84 1yaj s ALA 243 Ca -0.02 -0.75 -0.02 0.00 0.00 0.00 0.00 51.96 51.17 1yaj s ALA 243 Cb -0.05 -0.09 0.06 0.00 0.00 0.00 0.00 23.12 23.04 1yaj s ALA 243 CO -0.03 0.12 0.03 0.42 0.00 0.00 0.00 175.76 176.30 1yaj s ILE 244 N -0.97 0.59 -0.47 0.00 1.01 0.89 -1.25 121.20 121.01 1yaj s ILE 244 Ca -0.02 -0.57 -0.16 0.00 0.00 0.00 0.00 60.65 59.90 1yaj s ILE 244 Cb -0.08 -1.06 0.06 0.00 0.01 0.00 0.00 42.46 41.39 1yaj s ILE 244 CO 0.01 -0.17 0.41 -0.44 0.00 0.00 0.00 174.94 174.75 1yaj s SER 245 N 1.83 6.15 -0.33 3.58 0.01 -0.78 -2.13 113.70 122.03 1yaj s SER 245 Ca -0.01 -1.19 -0.15 0.00 1.31 0.00 0.00 55.95 55.91 1yaj s SER 245 Cb -0.17 -2.20 -0.02 0.00 0.21 0.00 0.00 66.02 63.85 1yaj s SER 245 CO -0.08 -0.65 0.36 -1.61 0.41 0.00 0.00 173.24 171.68 1yaj s GLU 246 N 1.79 3.63 -0.88 12.44 2.02 0.42 -1.98 118.70 136.14 1yaj s GLU 246 Ca 0.06 -0.35 -0.06 0.00 0.02 0.00 0.00 54.97 54.64 1yaj s GLU 246 Cb -0.23 -3.78 -0.00 0.00 0.10 0.00 0.00 34.13 30.22 1yaj s GLU 246 CO 0.08 -0.49 0.69 0.43 0.02 0.00 0.00 175.26 176.00 1yaj n SER 247 N 5.38 -6.10 0.00 -0.19 7.64 -0.22 -1.58 113.62 118.56 1yaj n SER 247 Ca -0.09 -0.65 0.00 0.00 1.01 0.00 0.00 58.87 59.14 1yaj n SER 247 Cb 0.50 -3.51 0.00 0.00 -1.01 0.00 0.00 64.21 60.19 1yaj n SER 247 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yaj n GLY 248 N -1.70 3.23 2.10 0.23 0.00 -1.26 -2.16 105.19 105.63 1yaj n GLY 248 Ca -0.14 -0.20 -0.16 0.00 0.00 0.00 0.00 46.02 45.52 1yaj n GLY 248 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1yaj n VAL 249 N 0.00 0.00 0.65 1.61 0.24 -1.26 -2.14 118.33 117.43 1yaj n VAL 249 Ca 0.00 -1.48 0.12 0.00 -2.04 0.00 0.00 64.34 60.94 1yaj n VAL 249 Cb 0.00 0.50 0.46 0.00 -1.47 0.00 0.00 33.84 33.34 1yaj n VAL 249 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1yaj n ALA 250 N -1.82 2.05 -0.15 2.33 0.00 -1.26 -2.58 120.51 119.07 1yaj n ALA 250 Ca -0.10 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.40 1yaj n ALA 250 Cb 0.38 -1.41 0.29 0.00 0.00 0.00 0.00 19.45 18.71 1yaj n ALA 250 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1yaj n LEU 251 N -1.94 3.85 -3.69 0.00 4.77 -1.26 -4.67 117.00 114.06 1yaj n LEU 251 Ca 0.05 -1.94 -0.42 0.00 -0.03 0.00 0.00 56.01 53.67 1yaj n LEU 251 Cb 0.32 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.89 1yaj n LEU 251 CO 0.24 0.70 2.59 0.41 -1.33 0.00 0.00 177.39 180.00 1yaj n THR 252 N 0.94 3.13 0.00 -5.08 -1.04 -1.07 -4.90 114.28 106.27 1yaj n THR 252 Ca 0.21 -2.70 0.00 0.00 -2.04 0.00 0.00 64.05 59.52 1yaj n THR 252 Cb 0.71 -2.55 0.00 0.00 -1.82 0.00 0.00 70.33 66.67 1yaj n THR 252 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1yaj n SER 253 N 6.31 0.00 -0.12 8.00 3.41 -1.26 -1.69 113.62 128.27 1yaj n SER 253 Ca 0.52 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 59.10 1yaj n SER 253 Cb 0.39 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.31 1yaj n SER 253 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1yaj n VAL 254 N -0.31 -0.19 0.00 -3.33 3.14 -1.26 0.56 118.33 116.94 1yaj n VAL 254 Ca 0.00 0.89 0.00 0.00 -2.96 0.00 0.00 64.34 62.27 1yaj n VAL 254 Cb 0.00 -1.11 0.00 0.00 -1.06 0.00 0.00 33.84 31.67 1yaj n VAL 254 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1yaj n LEU 255 N -3.86 0.00 -3.97 6.55 4.77 -0.68 -4.54 117.00 115.27 1yaj n LEU 255 Ca 0.01 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 1yaj n LEU 255 Cb 0.07 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.02 1yaj n LEU 255 CO -0.05 0.00 -0.41 -0.69 -1.33 0.00 0.00 177.39 174.91 1yaj s VAL 256 N -1.95 0.53 -0.24 4.08 1.01 0.19 -2.36 120.40 121.67 1yaj s VAL 256 Ca 0.00 -0.26 -0.08 0.00 0.00 0.00 0.00 61.98 61.64 1yaj s VAL 256 Cb 0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.87 1yaj s VAL 256 CO 0.00 0.16 0.10 -0.54 0.00 0.00 0.00 175.10 174.82 1yaj s LYS 257 N 0.03 3.83 0.03 2.72 -0.14 0.30 -4.91 119.74 121.60 1yaj s LYS 257 Ca 0.00 -0.39 0.08 0.00 -1.36 0.00 0.00 55.97 54.30 1yaj s LYS 257 Cb -0.05 -3.38 -0.03 0.00 -1.68 0.00 0.00 37.83 32.70 1yaj s LYS 257 CO -0.00 -0.05 -0.25 0.15 -0.76 0.00 0.00 175.35 174.44 1yaj s LYS 258 N 1.28 1.80 0.00 1.68 1.02 -1.26 -4.36 119.74 119.90 1yaj s LYS 258 Ca 0.06 -1.02 0.00 0.00 0.02 0.00 0.00 55.97 55.03 1yaj s LYS 258 Cb -0.15 -1.89 0.00 0.00 -0.52 0.00 0.00 37.83 35.27 1yaj s LYS 258 CO 0.05 0.50 0.00 0.41 -0.92 0.00 0.00 175.35 175.38 1yaj n GLY 259 N 2.00 0.71 3.27 -3.33 0.00 -1.26 -4.89 105.19 101.68 1yaj n GLY 259 Ca -0.17 -1.31 -0.34 0.00 0.00 0.00 0.00 46.02 44.20 1yaj n GLY 259 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yaj s ASP 260 N -4.00 3.94 -0.01 1.61 2.15 -1.26 -4.98 116.67 114.11 1yaj s ASP 260 Ca 0.00 -0.45 0.10 0.00 0.43 0.00 0.00 52.55 52.62 1yaj s ASP 260 Cb 0.00 -1.65 -0.23 0.00 -0.30 0.00 0.00 42.92 40.74 1yaj s ASP 260 CO 0.00 0.01 0.79 -0.37 -0.17 0.00 0.00 175.17 175.43 1yaj h VAL 261 N 5.73 1.03 -0.60 1.11 -1.51 -1.90 -3.40 116.25 116.72 1yaj h VAL 261 Ca -0.41 -2.84 0.11 0.00 -1.23 0.00 0.00 66.70 62.34 1yaj h VAL 261 Cb 1.16 2.53 -0.11 0.00 -2.13 0.00 0.00 31.29 32.74 1yaj h VAL 261 CO 0.61 0.62 -0.16 1.17 -1.23 0.00 0.00 177.57 178.57 1yaj n LYS 262 N -3.15 -0.07 -0.23 5.19 3.00 -1.26 0.14 118.16 121.78 1yaj n LYS 262 Ca -0.14 0.93 0.12 0.00 -0.00 0.00 0.00 58.31 59.22 1yaj n LYS 262 Cb 1.03 -1.39 0.41 0.00 0.00 0.00 0.00 35.03 35.08 1yaj n LYS 262 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 1yaj h PRO 263 N 0.00 0.61 -0.00 1.64 0.11 -1.95 0.38 132.00 132.79 1yaj h PRO 263 Ca 0.27 -0.04 -0.26 0.00 0.11 0.00 0.00 66.00 66.08 1yaj h PRO 263 Cb 0.42 -0.14 0.02 0.00 0.11 0.00 0.00 31.00 31.41 1yaj h PRO 263 CO -0.61 0.41 -1.03 1.25 -0.21 0.00 0.00 178.00 177.80 1yaj h LEU 264 N 0.63 0.88 -0.51 2.35 6.46 0.10 -2.09 115.31 123.13 1yaj h LEU 264 Ca 0.41 -0.70 -0.05 0.00 -0.12 0.00 0.00 57.88 57.42 1yaj h LEU 264 Cb 0.70 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.34 1yaj h LEU 264 CO -0.17 1.50 0.13 0.00 -0.62 0.00 0.00 178.44 179.28 1yaj h ALA 265 N 0.44 0.67 -0.61 1.25 0.00 -0.58 -2.32 119.26 118.11 1yaj h ALA 265 Ca -0.12 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1yaj h ALA 265 Cb 1.68 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 1yaj h ALA 265 CO 0.20 0.36 0.28 0.93 0.00 0.00 0.00 179.25 181.02 1yaj h GLU 266 N 0.70 0.88 0.00 0.00 5.08 -0.29 -1.52 114.58 119.43 1yaj h GLU 266 Ca 0.16 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1yaj h GLU 266 Cb 0.33 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1yaj h GLU 266 CO 0.00 0.72 0.00 0.37 -1.00 0.00 0.00 179.01 179.11 1yaj h GLN 267 N 0.83 0.00 0.09 2.33 4.15 -1.16 -1.84 115.11 119.52 1yaj h GLN 267 Ca 0.21 0.00 -0.29 0.00 0.77 0.00 0.00 58.65 59.34 1yaj h GLN 267 Cb 0.14 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 1yaj h GLN 267 CO -0.02 0.00 -1.50 0.82 -1.93 0.00 0.00 178.83 176.19 1yaj h ILE 268 N 0.00 0.92 -0.00 2.39 2.04 -0.82 -3.17 117.51 118.87 1yaj h ILE 268 Ca 0.00 -2.34 0.01 0.00 1.00 0.00 0.00 64.86 63.53 1yaj h ILE 268 Cb 0.26 2.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.91 1yaj h ILE 268 CO 0.00 0.67 -0.04 0.00 0.00 0.00 0.00 178.15 178.78 1yaj h ALA 269 N -0.11 -0.03 0.01 1.87 0.00 -1.03 0.21 119.26 120.17 1yaj h ALA 269 Ca -0.34 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.61 1yaj h ALA 269 Cb 1.72 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.53 1yaj h ALA 269 CO 0.01 -0.53 -0.32 0.82 0.00 0.00 0.00 179.25 179.23 1yaj h ILE 270 N -0.06 0.30 -0.82 0.00 2.04 -1.47 0.12 117.51 117.63 1yaj h ILE 270 Ca 0.02 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.96 1yaj h ILE 270 Cb 0.08 0.30 -0.06 0.00 -0.74 0.00 0.00 36.82 36.41 1yaj h ILE 270 CO -0.04 0.00 0.53 0.74 0.00 0.00 0.00 178.15 179.39 1yaj h THR 271 N -0.48 0.99 -0.01 -0.27 2.02 -1.46 0.38 112.91 114.08 1yaj h THR 271 Ca 0.06 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1yaj h THR 271 Cb 0.56 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1yaj h THR 271 CO -0.26 0.15 0.00 0.00 0.37 0.00 0.00 175.52 175.78 1yaj n ALA 272 N -2.43 2.65 -2.04 6.16 0.00 0.71 -4.90 120.51 120.67 1yaj n ALA 272 Ca 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 53.44 53.37 1yaj n ALA 272 Cb 0.27 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1yaj n ALA 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yaj n GLY 273 N 0.94 -0.46 3.09 0.00 0.00 0.13 -5.03 105.19 103.86 1yaj n GLY 273 Ca 0.20 0.02 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 1yaj n GLY 273 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj s LYS 275 N -1.46 3.95 -0.23 0.00 -2.85 -1.26 -3.96 119.74 113.93 1yaj s LYS 275 Ca -0.15 1.39 0.10 0.00 -1.00 0.00 0.00 55.97 56.31 1yaj s LYS 275 Cb -0.08 -2.24 0.43 0.00 -2.06 0.00 0.00 37.83 33.89 1yaj s LYS 275 CO 0.01 -0.30 1.21 0.25 0.10 0.00 0.00 175.35 176.61 1yaj n THR 276 N -0.66 2.26 -0.13 3.79 -2.24 -1.26 -4.30 114.28 111.75 1yaj n THR 276 Ca 0.08 -3.49 -0.04 0.00 -2.27 0.00 0.00 64.05 58.33 1yaj n THR 276 Cb 0.52 -0.47 0.04 0.00 -2.10 0.00 0.00 70.33 68.32 1yaj n THR 276 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1yaj h THR 277 N 1.47 0.75 -3.83 4.28 2.02 -1.97 -3.45 112.91 112.18 1yaj h THR 277 Ca 0.10 -0.06 -0.09 0.00 0.77 0.00 0.00 66.41 67.12 1yaj h THR 277 Cb 1.17 0.55 -0.13 0.00 -1.74 0.00 0.00 68.15 68.00 1yaj h THR 277 CO 0.22 0.03 -0.31 0.42 0.37 0.00 0.00 175.52 176.26 1yaj s THR 278 N -6.16 0.08 0.07 3.16 -4.23 -1.26 -5.05 115.64 102.24 1yaj s THR 278 Ca -0.13 -1.29 -0.24 0.00 -1.18 0.00 0.00 61.69 58.84 1yaj s THR 278 Cb 0.14 -1.71 -0.16 0.00 1.34 0.00 0.00 72.50 72.11 1yaj s THR 278 CO 0.72 -0.36 1.65 0.28 -0.54 0.00 0.00 174.62 176.36 1yaj h SER 279 N 2.56 -0.06 -0.21 3.99 0.02 -1.97 -1.15 113.55 116.73 1yaj h SER 279 Ca -0.32 -0.08 0.06 0.00 -0.84 0.00 0.00 61.79 60.61 1yaj h SER 279 Cb 1.22 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 1yaj h SER 279 CO 0.49 0.04 0.47 0.00 -1.14 0.00 0.00 176.83 176.69 1yaj h ALA 280 N 0.78 1.77 0.01 3.77 0.00 -1.97 0.25 119.26 123.86 1yaj h ALA 280 Ca -0.01 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1yaj h ALA 280 Cb 0.14 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1yaj h ALA 280 CO 0.01 -0.57 -0.83 0.28 0.00 0.00 0.00 179.25 178.13 1yaj h VAL 281 N 0.00 1.22 -0.99 0.00 2.07 -1.75 -3.17 116.25 113.63 1yaj h VAL 281 Ca 0.10 -2.25 0.22 0.00 0.82 0.00 0.00 66.70 65.59 1yaj h VAL 281 Cb 1.03 2.65 -0.09 0.00 -1.52 0.00 0.00 31.29 33.36 1yaj h VAL 281 CO -0.00 0.43 0.62 0.24 0.02 0.00 0.00 177.57 178.89 1yaj h MET 282 N -0.96 0.55 0.23 1.57 2.86 0.65 -0.02 114.93 119.80 1yaj h MET 282 Ca -0.23 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.37 1yaj h MET 282 Cb 1.22 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.76 1yaj h MET 282 CO -0.13 0.36 -0.11 0.28 1.06 0.00 0.00 176.91 178.38 1yaj h VAL 283 N 0.57 0.73 -0.62 -2.22 2.07 -1.38 -1.95 116.25 113.44 1yaj h VAL 283 Ca 0.56 -0.92 0.12 0.00 0.82 0.00 0.00 66.70 67.29 1yaj h VAL 283 Cb 1.15 1.17 -0.12 0.00 -1.52 0.00 0.00 31.29 31.97 1yaj h VAL 283 CO -0.31 0.17 -0.20 -0.74 0.02 0.00 0.00 177.57 176.51 1yaj h HIS 284 N -0.85 -0.47 -0.47 1.57 -0.00 -1.30 0.31 115.15 113.94 1yaj h HIS 284 Ca -0.03 0.06 0.02 0.00 -0.00 0.00 0.00 60.37 60.41 1yaj h HIS 284 Cb 0.51 0.30 -0.03 0.00 -0.00 0.00 0.00 27.41 28.19 1yaj h HIS 284 CO 0.06 -0.30 0.29 0.00 -0.00 0.00 0.00 177.93 177.98 1yaj h LEU 286 N 0.59 0.00 -1.16 0.00 3.38 -0.20 -2.30 115.31 115.61 1yaj h LEU 286 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1yaj h LEU 286 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1yaj h LEU 286 CO -0.07 0.41 0.00 0.03 0.09 0.00 0.00 178.44 178.91 1yaj h ARG 287 N 0.00 0.00 0.00 1.13 3.08 0.07 -2.80 114.38 115.85 1yaj h ARG 287 Ca -0.00 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.85 1yaj h ARG 287 Cb 0.75 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.78 1yaj h ARG 287 CO 0.05 0.00 -0.97 1.96 -1.07 0.00 0.00 179.97 179.95 1yaj h GLN 288 N 0.00 0.00 -6.98 0.04 1.08 -0.97 -3.47 115.11 104.82 1yaj h GLN 288 Ca 0.00 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.64 1yaj h GLN 288 Cb 0.58 0.00 0.14 0.00 -0.05 0.00 0.00 27.48 28.16 1yaj h GLN 288 CO 0.00 0.88 0.50 1.63 -0.95 0.00 0.00 178.83 180.89 1yaj n LYS 289 N -3.30 1.53 -2.26 1.46 4.76 -1.06 -4.99 118.16 114.30 1yaj n LYS 289 Ca -0.01 0.57 -0.32 0.00 -2.87 0.00 0.00 58.31 55.68 1yaj n LYS 289 Cb 0.91 -2.47 -0.02 0.00 -1.84 0.00 0.00 35.03 31.61 1yaj n LYS 289 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1yaj s THR 290 N -1.32 4.43 0.23 -0.18 -4.23 -1.26 -4.87 115.64 108.44 1yaj s THR 290 Ca 0.72 1.11 -0.09 0.00 -1.18 0.00 0.00 61.69 62.25 1yaj s THR 290 Cb -0.43 -3.68 0.25 0.00 1.34 0.00 0.00 72.50 69.99 1yaj s THR 290 CO 0.49 -0.72 1.64 -0.08 -0.54 0.00 0.00 174.62 175.40 1yaj h GLU 291 N 0.65 0.08 -0.80 3.99 4.81 -1.97 -0.08 114.58 121.26 1yaj h GLU 291 Ca -0.46 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.74 1yaj h GLU 291 Cb 1.19 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.51 1yaj h GLU 291 CO 0.61 0.05 0.43 1.49 -0.73 0.00 0.00 179.01 180.86 1yaj h GLU 292 N 0.08 1.12 -0.63 1.92 4.57 -1.98 -0.82 114.58 118.84 1yaj h GLU 292 Ca 0.37 -0.13 -0.04 0.00 -1.18 0.00 0.00 59.36 58.38 1yaj h GLU 292 Cb 0.62 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 28.97 1yaj h GLU 292 CO -0.64 0.82 0.22 0.93 -1.18 0.00 0.00 179.01 179.17 1yaj h GLU 293 N 1.12 0.95 -0.37 1.92 5.08 -1.40 0.15 114.58 122.04 1yaj h GLU 293 Ca 0.28 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1yaj h GLU 293 Cb 0.04 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1yaj h GLU 293 CO -0.04 0.83 0.11 -0.07 -1.00 0.00 0.00 179.01 178.83 1yaj h LEU 294 N 0.89 0.55 -1.60 1.33 3.38 -0.94 0.37 115.31 119.28 1yaj h LEU 294 Ca 0.21 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1yaj h LEU 294 Cb 0.25 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1yaj h LEU 294 CO -0.01 0.62 0.16 0.25 0.09 0.00 0.00 178.44 179.55 1yaj h LEU 295 N 0.45 0.37 0.29 1.67 5.85 -0.81 0.44 115.31 123.57 1yaj h LEU 295 Ca 0.12 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1yaj h LEU 295 Cb 0.28 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1yaj h LEU 295 CO -0.00 0.32 -0.14 -0.33 -0.34 0.00 0.00 178.44 177.95 1yaj h GLU 296 N 0.43 -0.37 -0.97 1.25 5.08 -0.46 -1.54 114.58 118.00 1yaj h GLU 296 Ca 0.11 0.03 0.28 0.00 -1.00 0.00 0.00 59.36 58.78 1yaj h GLU 296 Cb 0.04 0.08 -0.14 0.00 0.50 0.00 0.00 28.75 29.23 1yaj h GLU 296 CO -0.02 -0.07 0.50 1.15 -1.00 0.00 0.00 179.01 179.57 1yaj h THR 297 N -0.68 0.36 -0.14 1.13 2.02 0.35 0.47 112.91 116.42 1yaj h THR 297 Ca -0.04 -0.12 0.02 0.00 0.77 0.00 0.00 66.41 67.04 1yaj h THR 297 Cb 0.47 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 1yaj h THR 297 CO 0.06 0.07 0.00 0.74 0.37 0.00 0.00 175.52 176.77 1yaj h THR 298 N 0.36 0.91 -0.01 3.16 2.02 0.49 -2.12 112.91 117.72 1yaj h THR 298 Ca 0.67 -0.02 -0.04 0.00 0.77 0.00 0.00 66.41 67.79 1yaj h THR 298 Cb 1.43 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 68.68 1yaj h THR 298 CO -0.58 0.01 -0.19 -0.07 0.37 0.00 0.00 175.52 175.05 1yaj h LEU 299 N 0.05 0.01 -0.39 2.58 3.38 0.88 -2.66 115.31 119.16 1yaj h LEU 299 Ca 0.06 -0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.85 1yaj h LEU 299 Cb 0.07 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1yaj h LEU 299 CO -0.11 0.21 -0.69 0.11 0.09 0.00 0.00 178.44 178.06 1yaj h LYS 300 N 0.01 0.51 0.00 1.13 1.57 -0.95 -2.95 116.57 115.89 1yaj h LYS 300 Ca 0.00 -0.39 -0.03 0.00 -1.87 0.00 0.00 60.65 58.36 1yaj h LYS 300 Cb 0.35 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 1yaj h LYS 300 CO 0.03 1.01 -0.16 0.52 -0.57 0.00 0.00 179.45 180.27 1yaj h MET 301 N 0.36 0.00 -5.40 3.15 2.86 -1.03 -3.47 114.93 111.40 1yaj h MET 301 Ca -0.02 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.28 1yaj h MET 301 Cb 1.26 0.00 0.14 0.00 0.06 0.00 0.00 31.60 33.06 1yaj h MET 301 CO 0.13 0.16 -0.66 1.63 1.06 0.00 0.00 176.91 179.23 1yaj n LYS 302 N -3.75 -6.80 -0.47 1.72 5.02 -1.12 -4.99 118.16 107.77 1yaj n LYS 302 Ca -0.02 0.77 -0.28 0.00 -2.02 0.00 0.00 58.31 56.76 1yaj n LYS 302 Cb 0.27 -5.60 0.27 0.00 -0.02 0.00 0.00 35.03 29.96 1yaj n LYS 302 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1yaj s PHE 303 N -3.31 1.20 0.00 2.13 0.40 -1.26 -2.76 117.98 114.38 1yaj s PHE 303 Ca 0.31 1.14 0.00 0.00 -0.60 0.00 0.00 56.93 57.79 1yaj s PHE 303 Cb -0.14 -3.06 0.00 0.00 0.51 0.00 0.00 43.02 40.33 1yaj s PHE 303 CO 0.67 -4.10 0.00 -0.11 0.70 0.00 0.00 175.22 172.38 1yaj n LEU 304 N -5.08 0.88 -4.18 -0.37 7.94 -1.25 -4.89 117.00 110.05 1yaj n LEU 304 Ca 0.02 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.58 1yaj n LEU 304 Cb 0.54 -1.43 -0.14 0.00 0.53 0.00 0.00 43.42 42.92 1yaj n LEU 304 CO 0.58 -0.49 -0.37 -0.44 -1.11 0.00 0.00 177.39 175.55 1yaj s SER 305 N -1.75 4.77 -0.56 1.96 0.01 -1.11 -4.07 113.70 112.94 1yaj s SER 305 Ca 0.00 -1.20 -0.29 0.00 1.31 0.00 0.00 55.95 55.78 1yaj s SER 305 Cb 0.00 -1.70 -0.11 0.00 0.21 0.00 0.00 66.02 64.42 1yaj s SER 305 CO 0.00 -0.23 2.43 -0.11 0.41 0.00 0.00 173.24 175.74 1yaj n LEU 306 N 4.63 1.89 -4.56 2.44 7.94 -1.20 -4.85 117.00 123.29 1yaj n LEU 306 Ca -0.14 -0.15 -0.32 0.00 -1.11 0.00 0.00 56.01 54.29 1yaj n LEU 306 Cb 0.44 -1.38 -0.04 0.00 0.53 0.00 0.00 43.42 42.97 1yaj n LEU 306 CO 0.26 -1.18 1.40 -0.62 -1.11 0.00 0.00 177.39 176.14 1yaj s ASP 307 N 10.43 5.52 -0.03 1.96 2.15 -1.26 -4.74 116.67 130.70 1yaj s ASP 307 Ca 1.09 -0.74 0.09 0.00 0.43 0.00 0.00 52.55 53.41 1yaj s ASP 307 Cb -0.55 -2.56 0.30 0.00 -0.30 0.00 0.00 42.92 39.81 1yaj s ASP 307 CO 0.36 -2.38 1.18 0.00 -0.17 0.00 0.00 175.17 174.16 1yaj n LEU 308 N 12.46 2.06 -3.08 -1.34 -0.00 -1.26 -4.31 117.00 121.53 1yaj n LEU 308 Ca 0.35 -1.04 -0.21 0.00 -0.00 0.00 0.00 56.01 55.11 1yaj n LEU 308 Cb 0.49 -0.31 -0.03 0.00 -0.00 0.00 0.00 43.42 43.56 1yaj n LEU 308 CO 0.63 0.42 -0.10 0.00 -0.00 0.00 0.00 177.39 178.34 1yaj n GLN 309 N 0.39 1.75 0.00 1.47 1.13 -1.26 -5.07 117.38 115.79 1yaj n GLN 309 Ca 0.11 -3.87 0.00 0.00 -1.94 0.00 0.00 57.00 51.30 1yaj n GLN 309 Cb 0.37 -1.87 0.00 0.00 0.11 0.00 0.00 30.24 28.85 1yaj n GLN 309 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1yaj n GLY 310 N 0.09 1.87 3.26 1.08 0.00 -1.26 -5.14 105.19 105.08 1yaj n GLY 310 Ca 0.27 0.07 -0.34 0.00 0.00 0.00 0.00 46.02 46.01 1yaj n GLY 310 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yaj s ASP 311 N 2.00 3.92 0.25 1.61 -1.08 -1.26 -5.02 116.67 117.09 1yaj s ASP 311 Ca 0.00 -0.47 -0.03 0.00 -0.52 0.00 0.00 52.55 51.53 1yaj s ASP 311 Cb 0.00 -1.65 0.47 0.00 -1.46 0.00 0.00 42.92 40.28 1yaj s ASP 311 CO 0.00 -0.00 1.75 -0.65 0.52 0.00 0.00 175.17 176.79 1yaj h PRO 312 N 7.95 0.54 0.52 4.34 0.11 -1.87 0.12 132.00 143.72 1yaj h PRO 312 Ca -0.42 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 1yaj h PRO 312 Cb 1.16 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 32.15 1yaj h PRO 312 CO 0.61 0.36 -0.25 0.00 -0.21 0.00 0.00 178.00 178.51 1yaj h ARG 313 N 0.55 -0.68 -0.28 1.05 3.08 -1.95 -3.32 114.38 112.83 1yaj h ARG 313 Ca 0.43 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.53 1yaj h ARG 313 Cb 0.60 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 1yaj h ARG 313 CO -0.36 -0.45 0.18 0.93 -1.07 0.00 0.00 179.97 179.20 1yaj h GLU 314 N -0.79 0.36 -5.09 0.04 5.08 -1.99 -3.42 114.58 108.77 1yaj h GLU 314 Ca -0.07 -0.02 -0.54 0.00 -1.00 0.00 0.00 59.36 57.73 1yaj h GLU 314 Cb 0.54 -0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.63 1yaj h GLU 314 CO 0.12 0.24 1.65 0.45 -1.00 0.00 0.00 179.01 180.47 1yaj n SER 315 N -4.90 0.37 -4.64 1.42 2.88 0.02 -4.84 113.62 103.94 1yaj n SER 315 Ca -0.02 0.27 -0.43 0.00 -1.33 0.00 0.00 58.87 57.36 1yaj n SER 315 Cb 0.03 -0.90 -0.02 0.00 -0.75 0.00 0.00 64.21 62.57 1yaj n SER 315 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1yaj s GLN 316 N 8.31 4.05 0.02 -1.46 2.00 -1.26 -4.69 119.66 126.62 1yaj s GLN 316 Ca 1.31 1.03 -0.26 0.00 -2.00 0.00 0.00 55.36 55.44 1yaj s GLN 316 Cb -1.28 -3.74 -0.16 0.00 0.80 0.00 0.00 33.01 28.62 1yaj s GLN 316 CO 0.51 -0.92 1.25 -1.00 -0.50 0.00 0.00 175.29 174.64 1yaj h PRO 317 N 8.14 -0.58 -1.07 1.67 0.13 -1.88 -3.48 132.00 134.92 1yaj h PRO 317 Ca -0.21 0.04 0.20 0.00 -0.87 0.00 0.00 66.00 65.16 1yaj h PRO 317 Cb 1.06 0.13 -0.32 0.00 0.13 0.00 0.00 31.00 32.00 1yaj h PRO 317 CO 1.03 -0.28 0.69 -0.48 -0.23 0.00 0.00 178.00 178.73 1yaj s LEU 318 N -9.60 -0.12 1.03 1.56 0.05 -1.26 -3.79 118.68 106.55 1yaj s LEU 318 Ca -0.14 0.20 -0.14 0.00 0.05 0.00 0.00 54.13 54.09 1yaj s LEU 318 Cb 0.02 1.18 0.10 0.00 -2.05 0.00 0.00 46.19 45.44 1yaj s LEU 318 CO 0.52 -0.03 0.42 0.00 -0.55 0.00 0.00 176.35 176.71 1yaj n LEU 319 N 3.26 -0.70 0.00 1.48 -0.00 -1.26 -4.87 117.00 114.90 1yaj n LEU 319 Ca -0.17 0.12 0.00 0.00 -0.00 0.00 0.00 56.01 55.96 1yaj n LEU 319 Cb 0.56 -1.16 0.00 0.00 -0.00 0.00 0.00 43.42 42.83 1yaj n LEU 319 CO 0.05 -3.24 0.00 0.61 -0.00 0.00 0.00 177.39 174.81 1yaj n GLY 320 N 1.48 -0.97 3.77 1.47 0.00 -1.26 -4.96 105.19 104.72 1yaj n GLY 320 Ca 0.05 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1yaj n GLY 320 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yaj s THR 321 N -4.00 2.15 0.26 2.61 2.01 -0.99 -4.62 115.64 113.05 1yaj s THR 321 Ca 0.00 0.14 0.01 0.00 0.31 0.00 0.00 61.69 62.15 1yaj s THR 321 Cb 0.00 -3.09 -0.05 0.00 0.01 0.00 0.00 72.50 69.38 1yaj s THR 321 CO 0.00 0.03 0.12 0.68 -0.69 0.00 0.00 174.62 174.76 1yaj s VAL 322 N -0.71 0.37 -0.96 3.82 -7.23 -1.26 -0.54 120.40 113.90 1yaj s VAL 322 Ca 0.56 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.69 1yaj s VAL 322 Cb -0.46 -2.58 0.18 0.00 0.56 0.00 0.00 36.38 34.08 1yaj s VAL 322 CO 0.56 0.00 2.33 -0.38 -0.31 0.00 0.00 175.10 177.31 1yaj n ILE 323 N -0.45 4.67 -0.00 -0.62 2.08 -1.26 -4.67 119.36 119.11 1yaj n ILE 323 Ca 0.01 -4.29 -0.00 0.00 0.56 0.00 0.00 62.75 59.02 1yaj n ILE 323 Cb 0.66 -1.72 -0.00 0.00 -0.75 0.00 0.00 39.64 37.83 1yaj n ILE 323 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1yaj n ASP 324 N 0.81 -0.01 0.00 4.38 3.85 -1.25 -4.84 116.55 119.50 1yaj n ASP 324 Ca 0.54 0.99 0.00 0.00 -0.71 0.00 0.00 54.79 55.61 1yaj n ASP 324 Cb 0.33 -0.49 0.00 0.00 -1.35 0.00 0.00 41.12 39.61 1yaj n ASP 324 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1yaj n GLY 325 N -1.00 -0.64 0.57 6.12 0.00 -0.77 -4.98 105.19 104.48 1yaj n GLY 325 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1yaj n GLY 325 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1yaj n MET 326 N 0.00 0.23 -0.05 1.61 2.81 -1.26 -4.78 117.12 115.67 1yaj n MET 326 Ca 0.00 0.09 -0.20 0.00 -1.81 0.00 0.00 57.70 55.79 1yaj n MET 326 Cb 0.00 -0.94 -0.13 0.00 -0.71 0.00 0.00 33.22 31.44 1yaj n MET 326 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1yaj n LEU 327 N -3.38 2.72 -4.00 4.03 7.94 -1.26 -4.73 117.00 118.32 1yaj n LEU 327 Ca -0.21 0.06 -0.28 0.00 -1.11 0.00 0.00 56.01 54.48 1yaj n LEU 327 Cb 0.66 -0.98 -0.17 0.00 0.53 0.00 0.00 43.42 43.46 1yaj n LEU 327 CO 0.03 0.88 -0.47 -0.76 -1.11 0.00 0.00 177.39 175.95 1yaj s LEU 328 N -6.78 1.55 0.00 -1.96 1.43 -1.26 -4.06 118.68 107.60 1yaj s LEU 328 Ca -0.27 -0.38 0.26 0.00 -1.03 0.00 0.00 54.13 52.70 1yaj s LEU 328 Cb 0.08 -0.99 0.61 0.00 0.03 0.00 0.00 46.19 45.92 1yaj s LEU 328 CO 0.70 -0.03 1.47 0.18 0.23 0.00 0.00 176.35 178.90 1yaj n LEU 329 N 4.43 0.85 -3.71 1.79 4.77 -1.26 -1.85 117.00 122.02 1yaj n LEU 329 Ca -0.18 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 1yaj n LEU 329 Cb 0.51 -0.16 -0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1yaj n LEU 329 CO 0.22 0.17 0.98 -1.59 -1.33 0.00 0.00 177.39 175.84 1yaj s LYS 330 N -2.71 0.62 0.62 3.23 -2.85 -1.26 -4.96 119.74 112.43 1yaj s LYS 330 Ca 0.19 -0.35 -0.18 0.00 -1.00 0.00 0.00 55.97 54.62 1yaj s LYS 330 Cb 0.18 0.20 -0.02 0.00 -2.06 0.00 0.00 37.83 36.13 1yaj s LYS 330 CO 0.60 -0.28 1.20 0.95 0.10 0.00 0.00 175.35 177.91 1yaj s THR 331 N -2.53 2.66 0.29 3.79 -4.23 -1.26 -4.75 115.64 109.62 1yaj s THR 331 Ca 0.16 0.39 -0.01 0.00 -1.18 0.00 0.00 61.69 61.05 1yaj s THR 331 Cb 0.03 -3.10 0.27 0.00 1.34 0.00 0.00 72.50 71.04 1yaj s THR 331 CO -0.02 -0.11 1.92 -0.65 -0.54 0.00 0.00 174.62 175.23 1yaj h PRO 332 N 0.66 1.06 0.00 3.99 0.11 -2.00 0.10 132.00 135.93 1yaj h PRO 332 Ca -0.50 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1yaj h PRO 332 Cb 1.29 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1yaj h PRO 332 CO 0.54 0.70 0.01 0.39 -0.21 0.00 0.00 178.00 179.43 1yaj n GLU 333 N -4.46 0.00 -0.08 1.05 4.71 -1.26 -1.84 120.64 118.76 1yaj n GLU 333 Ca 0.13 0.30 -0.15 0.00 -0.01 0.00 0.00 57.16 57.43 1yaj n GLU 333 Cb 0.14 -1.51 -0.06 0.00 -1.01 0.00 0.00 31.44 29.00 1yaj n GLU 333 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1yaj n GLU 334 N -1.29 0.34 0.03 3.49 1.02 0.27 -4.68 120.64 119.82 1yaj n GLU 334 Ca 0.00 0.13 -0.11 0.00 -0.02 0.00 0.00 57.16 57.16 1yaj n GLU 334 Cb 0.01 -1.12 -0.04 0.00 -0.02 0.00 0.00 31.44 30.26 1yaj n GLU 334 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1yaj h LEU 335 N -0.39 -0.85 -1.74 -4.62 3.38 -0.54 -1.97 115.31 108.58 1yaj h LEU 335 Ca -0.37 0.12 0.33 0.00 0.09 0.00 0.00 57.88 58.05 1yaj h LEU 335 Cb 1.39 0.36 -0.05 0.00 0.09 0.00 0.00 40.66 42.46 1yaj h LEU 335 CO -0.18 -0.34 0.98 1.56 0.09 0.00 0.00 178.44 180.55 1yaj h GLN 336 N -0.38 0.00 0.00 1.13 4.20 -1.71 0.53 115.11 118.88 1yaj h GLN 336 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1yaj h GLN 336 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 1yaj h GLN 336 CO -0.29 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 177.87 1yaj n ALA 337 N -2.57 2.32 -3.82 3.87 0.00 -0.74 -4.41 120.51 115.16 1yaj n ALA 337 Ca 0.25 -0.08 -0.34 0.00 0.00 0.00 0.00 53.44 53.26 1yaj n ALA 337 Cb 1.34 -1.21 -0.12 0.00 0.00 0.00 0.00 19.45 19.46 1yaj n ALA 337 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1yaj s GLU 338 N -2.00 2.20 0.16 0.00 2.12 0.18 -4.93 118.70 116.44 1yaj s GLU 338 Ca 0.20 -2.38 -0.07 0.00 0.36 0.00 0.00 54.97 53.08 1yaj s GLU 338 Cb 0.09 -3.54 0.01 0.00 0.26 0.00 0.00 34.13 30.95 1yaj s GLU 338 CO 0.15 -1.12 1.45 0.00 -0.54 0.00 0.00 175.26 175.21 1yaj h ARG 339 N 7.11 0.71 -5.09 4.30 -0.00 -1.84 -3.41 114.38 116.17 1yaj h ARG 339 Ca -0.05 -0.46 -0.03 0.00 -0.50 0.00 0.00 59.98 58.94 1yaj h ARG 339 Cb 0.96 0.06 -0.01 0.00 0.00 0.00 0.00 29.97 30.97 1yaj h ARG 339 CO 0.68 1.08 0.43 0.09 0.00 0.00 0.00 179.97 182.25 1yaj n ASN 340 N -3.98 0.26 -0.67 7.04 4.13 -1.26 -4.63 115.26 116.15 1yaj n ASN 340 Ca -0.04 -1.91 0.00 0.00 1.68 0.00 0.00 54.58 54.31 1yaj n ASN 340 Cb 0.62 -1.33 0.00 0.00 -1.54 0.00 0.00 39.78 37.54 1yaj n ASN 340 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1yaj n PHE 341 N 14.55 -0.09 -3.27 3.10 7.35 -1.26 -5.17 117.46 132.67 1yaj n PHE 341 Ca 0.32 0.00 -0.30 0.00 -0.76 0.00 0.00 57.45 56.71 1yaj n PHE 341 Cb 0.45 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.24 1yaj n PHE 341 CO 0.00 0.00 0.00 -3.38 -0.76 0.00 0.00 176.76 172.62 1yaj s HIS 342 N -2.66 3.46 0.05 -5.13 -3.43 -1.26 -5.11 115.29 101.21 1yaj s HIS 342 Ca 0.00 0.81 -0.05 0.00 -0.80 0.00 0.00 55.06 55.02 1yaj s HIS 342 Cb 0.00 -2.23 -0.01 0.00 -1.43 0.00 0.00 32.58 28.91 1yaj s HIS 342 CO 0.00 0.15 0.09 0.95 -2.00 0.00 0.00 174.74 173.93 1yaj s THR 343 N -2.05 0.15 0.07 -5.38 -4.23 -1.26 -5.08 115.64 97.87 1yaj s THR 343 Ca 0.47 -1.25 -0.05 0.00 -1.18 0.00 0.00 61.69 59.68 1yaj s THR 343 Cb -0.11 -1.10 -0.02 0.00 1.34 0.00 0.00 72.50 72.61 1yaj s THR 343 CO 0.27 -0.69 0.09 0.68 -0.54 0.00 0.00 174.62 174.43 1yaj s VAL 344 N -3.10 0.18 -0.31 2.29 -7.23 -1.26 -5.06 120.40 105.91 1yaj s VAL 344 Ca -0.01 -1.49 -0.28 0.00 -1.81 0.00 0.00 61.98 58.39 1yaj s VAL 344 Cb 0.02 -1.45 -0.06 0.00 0.56 0.00 0.00 36.38 35.45 1yaj s VAL 344 CO -0.07 -0.80 2.28 -2.65 -0.31 0.00 0.00 175.10 173.55 1yaj n PRO 345 N 0.01 1.63 -4.27 4.82 -0.02 -1.25 -4.60 135.00 131.32 1yaj n PRO 345 Ca -0.14 0.38 -0.35 0.00 -2.02 0.00 0.00 63.50 61.36 1yaj n PRO 345 Cb 0.62 -3.19 -0.09 0.00 -0.02 0.00 0.00 33.50 30.82 1yaj n PRO 345 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1yaj s TYR 346 N 9.16 3.21 -0.26 6.00 6.04 -0.29 -2.05 117.35 139.17 1yaj s TYR 346 Ca 1.02 0.16 0.01 0.00 0.04 0.00 0.00 57.07 58.30 1yaj s TYR 346 Cb -0.36 -1.87 0.07 0.00 -1.04 0.00 0.00 41.96 38.76 1yaj s TYR 346 CO 0.35 0.40 -0.01 1.41 -1.54 0.00 0.00 175.55 176.15 1yaj s MET 347 N -0.58 1.43 -0.13 4.97 -2.45 -0.38 -1.30 119.30 120.85 1yaj s MET 347 Ca 0.10 -1.10 -0.07 0.00 -1.25 0.00 0.00 55.69 53.37 1yaj s MET 347 Cb -0.12 -2.57 -0.04 0.00 1.25 0.00 0.00 34.83 33.35 1yaj s MET 347 CO 0.02 -0.71 0.12 0.08 1.05 0.00 0.00 175.02 175.58 1yaj s VAL 348 N 1.38 5.30 0.06 10.11 1.01 -0.17 -1.86 120.40 136.23 1yaj s VAL 348 Ca -0.01 0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.06 1yaj s VAL 348 Cb -0.19 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 1yaj s VAL 348 CO -0.09 0.58 0.05 -0.83 0.00 0.00 0.00 175.10 174.81 1yaj s GLY 349 N -0.73 0.33 0.27 4.51 0.00 -0.84 -3.08 107.32 107.78 1yaj s GLY 349 Ca 0.13 -0.99 0.02 0.00 0.00 0.00 0.00 44.72 43.89 1yaj s GLY 349 CO 0.03 -1.13 0.23 -0.26 0.00 0.00 0.00 173.10 171.97 1yaj s ILE 350 N -3.89 0.00 0.07 0.90 -4.36 -0.79 -1.05 121.20 112.08 1yaj s ILE 350 Ca 0.06 -1.96 0.09 0.00 -0.26 0.00 0.00 60.65 58.59 1yaj s ILE 350 Cb 0.07 -2.50 -0.03 0.00 1.25 0.00 0.00 42.46 41.25 1yaj s ILE 350 CO -0.10 0.00 -0.24 0.20 0.24 0.00 0.00 174.94 175.03 1yaj s ASN 351 N -3.26 3.38 0.43 4.36 0.02 -1.26 -1.11 114.94 117.50 1yaj s ASN 351 Ca 0.39 -0.60 0.22 0.00 -1.02 0.00 0.00 52.86 51.85 1yaj s ASN 351 Cb 0.04 -0.35 1.20 0.00 0.02 0.00 0.00 41.25 42.17 1yaj s ASN 351 CO 0.20 0.23 1.77 0.50 0.02 0.00 0.00 177.10 179.82 1yaj h LYS 352 N 4.43 0.29 -2.38 -0.60 1.63 -1.52 -3.17 116.57 115.25 1yaj h LYS 352 Ca -0.48 -0.02 -0.59 0.00 -0.85 0.00 0.00 60.65 58.71 1yaj h LYS 352 Cb 1.15 -0.07 -0.40 0.00 -0.60 0.00 0.00 32.23 32.32 1yaj h LYS 352 CO 0.43 0.19 -0.86 1.04 -3.45 0.00 0.00 179.45 176.80 1yaj n GLN 353 N -4.55 1.10 0.50 1.90 6.02 -0.89 -4.98 117.38 116.47 1yaj n GLN 353 Ca 0.26 -3.73 -0.20 0.00 -0.01 0.00 0.00 57.00 53.32 1yaj n GLN 353 Cb 0.97 -1.77 -0.09 0.00 1.02 0.00 0.00 30.24 30.36 1yaj n GLN 353 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1yaj h GLU 354 N 4.85 -1.23 -1.85 -1.09 4.39 -1.74 -3.03 114.58 114.89 1yaj h GLU 354 Ca 0.18 0.08 -0.44 0.00 0.34 0.00 0.00 59.36 59.52 1yaj h GLU 354 Cb 0.82 0.28 -0.16 0.00 -0.10 0.00 0.00 28.75 29.59 1yaj h GLU 354 CO 0.55 -0.82 0.37 0.34 -1.16 0.00 0.00 179.01 178.30 1yaj n PHE 355 N -5.62 1.53 -0.02 4.33 -0.00 -1.26 -3.25 117.46 113.18 1yaj n PHE 355 Ca -0.16 -1.94 -0.14 0.00 -0.00 0.00 0.00 57.45 55.21 1yaj n PHE 355 Cb 0.50 -1.27 -0.14 0.00 -0.00 0.00 0.00 39.48 38.57 1yaj n PHE 355 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1yaj n GLY 356 N 0.77 -0.81 0.38 7.13 0.00 -1.14 -4.69 105.19 106.83 1yaj n GLY 356 Ca 0.44 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.30 1yaj n GLY 356 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1yaj n TRP 357 N -3.21 -0.33 -0.14 1.61 -0.00 -1.26 -4.95 117.44 109.15 1yaj n TRP 357 Ca -0.24 0.00 -0.04 0.00 -0.00 0.00 0.00 57.50 57.22 1yaj n TRP 357 Cb 1.05 0.09 -0.03 0.00 -0.00 0.00 0.00 31.31 32.42 1yaj n TRP 357 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.69 177.58 1yaj n LEU 358 N -1.28 -0.36 -0.11 5.87 7.94 -1.26 -0.87 117.00 126.92 1yaj n LEU 358 Ca 0.00 0.71 -0.11 0.00 -1.11 0.00 0.00 56.01 55.50 1yaj n LEU 358 Cb 0.00 -0.13 -0.03 0.00 0.53 0.00 0.00 43.42 43.79 1yaj n LEU 358 CO 0.00 -0.55 0.75 0.40 -1.11 0.00 0.00 177.39 176.88 1yaj h ILE 359 N 0.00 1.27 0.00 1.96 2.04 -1.94 -1.81 117.51 119.02 1yaj h ILE 359 Ca 0.05 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 64.88 1yaj h ILE 359 Cb 0.14 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1yaj h ILE 359 CO -0.32 0.34 0.00 -0.65 0.00 0.00 0.00 178.15 177.52 1yaj h PRO 360 N 0.41 0.00 0.00 2.37 0.11 -1.32 -2.35 132.00 131.22 1yaj h PRO 360 Ca 0.09 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.97 1yaj h PRO 360 Cb 0.50 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.58 1yaj h PRO 360 CO 0.02 0.00 -1.35 -0.12 -0.21 0.00 0.00 178.00 176.34 1yaj n MET 361 N -2.30 0.55 0.32 1.05 0.00 -0.54 -1.26 117.12 114.93 1yaj n MET 361 Ca -0.00 0.51 0.21 0.00 0.00 0.00 0.00 57.70 58.42 1yaj n MET 361 Cb 0.09 -1.69 1.14 0.00 0.00 0.00 0.00 33.22 32.77 1yaj n MET 361 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1yaj h LEU 363 N -1.00 0.00 -2.44 -0.89 3.38 -1.12 0.48 115.31 113.72 1yaj h LEU 363 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1yaj h LEU 363 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1yaj h LEU 363 CO -0.21 0.00 0.00 0.23 0.09 0.00 0.00 178.44 178.55 1yaj n MET 364 N -2.98 2.47 -3.48 1.13 2.81 -0.90 -4.73 117.12 111.44 1yaj n MET 364 Ca -0.03 -2.27 -0.14 0.00 -1.81 0.00 0.00 57.70 53.45 1yaj n MET 364 Cb 0.07 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.11 1yaj n MET 364 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1yaj n SER 365 N 1.34 -6.13 -4.83 7.83 7.64 0.16 -3.27 113.62 116.36 1yaj n SER 365 Ca 0.19 -0.58 -0.34 0.00 1.01 0.00 0.00 58.87 59.14 1yaj n SER 365 Cb 0.56 -3.28 -0.06 0.00 -1.01 0.00 0.00 64.21 60.42 1yaj n SER 365 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1yaj s TYR 366 N -3.01 3.50 0.00 1.43 1.51 -0.39 -4.79 117.35 115.61 1yaj s TYR 366 Ca 0.01 1.29 -0.03 0.00 -1.01 0.00 0.00 57.07 57.33 1yaj s TYR 366 Cb -0.00 -2.57 -0.13 0.00 -0.11 0.00 0.00 41.96 39.15 1yaj s TYR 366 CO 0.83 0.21 2.23 -2.30 -1.11 0.00 0.00 175.55 175.41 1yaj n PRO 367 N 0.16 1.14 -3.48 -1.71 -0.02 -1.26 -4.65 135.00 125.17 1yaj n PRO 367 Ca 0.01 -0.48 -0.28 0.00 -2.02 0.00 0.00 63.50 60.72 1yaj n PRO 367 Cb 0.52 -1.65 -0.08 0.00 -0.02 0.00 0.00 33.50 32.27 1yaj n PRO 367 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1yaj n LEU 368 N 2.41 3.82 -0.12 2.45 4.77 -1.26 -4.84 117.00 124.23 1yaj n LEU 368 Ca 0.21 -5.40 -0.25 0.00 -0.03 0.00 0.00 56.01 50.54 1yaj n LEU 368 Cb 0.53 -0.73 -0.11 0.00 -2.33 0.00 0.00 43.42 40.78 1yaj n LEU 368 CO 0.12 1.98 -1.18 -1.54 -1.33 0.00 0.00 177.39 175.44 1yaj n SER 369 N 1.07 1.96 0.27 -1.43 3.41 -1.26 -4.29 113.62 113.34 1yaj n SER 369 Ca 0.28 0.24 0.16 0.00 -0.26 0.00 0.00 58.87 59.29 1yaj n SER 369 Cb 0.40 -0.76 0.89 0.00 -0.26 0.00 0.00 64.21 64.47 1yaj n SER 369 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1yaj h GLU 370 N -0.67 0.00 -0.07 4.33 4.39 -2.00 -3.44 114.58 117.11 1yaj h GLU 370 Ca -0.58 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.09 1yaj h GLU 370 Cb 1.66 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.30 1yaj h GLU 370 CO -0.26 0.00 -0.03 0.41 -1.16 0.00 0.00 179.01 177.97 1yaj n GLY 371 N -1.34 0.51 3.30 -3.84 0.00 -1.26 -5.01 105.19 97.55 1yaj n GLY 371 Ca -0.01 -0.54 -0.16 0.00 0.00 0.00 0.00 46.02 45.30 1yaj n GLY 371 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yaj s GLN 372 N -1.35 1.24 0.15 1.61 -0.21 -1.26 -4.54 119.66 115.30 1yaj s GLN 372 Ca 0.00 -1.59 -0.22 0.00 0.02 0.00 0.00 55.36 53.57 1yaj s GLN 372 Cb 0.00 -0.65 0.07 0.00 1.00 0.00 0.00 33.01 33.42 1yaj s GLN 372 CO 0.00 -0.02 0.58 -1.17 -2.12 0.00 0.00 175.29 172.56 1yaj s LEU 373 N -3.26 -0.47 -0.07 2.90 2.96 0.11 -4.91 118.68 115.94 1yaj s LEU 373 Ca 0.24 -0.03 -0.11 0.00 -0.22 0.00 0.00 54.13 54.01 1yaj s LEU 373 Cb 0.04 2.52 0.02 0.00 0.50 0.00 0.00 46.19 49.27 1yaj s LEU 373 CO 0.06 -0.95 0.29 1.51 -1.32 0.00 0.00 176.35 175.93 1yaj s ASP 374 N -2.74 -0.25 0.03 3.68 -4.77 -1.26 -4.36 116.67 107.00 1yaj s ASP 374 Ca 0.01 0.38 -0.06 0.00 -3.30 0.00 0.00 52.55 49.58 1yaj s ASP 374 Cb -0.01 0.49 -0.01 0.00 -1.09 0.00 0.00 42.92 42.30 1yaj s ASP 374 CO -0.13 -0.23 0.40 0.00 0.70 0.00 0.00 175.17 175.91 1yaj n GLN 375 N 2.31 -0.09 -0.21 2.11 1.13 -1.26 -0.20 117.38 121.18 1yaj n GLN 375 Ca -0.16 0.39 -0.00 0.00 -1.94 0.00 0.00 57.00 55.28 1yaj n GLN 375 Cb 0.57 -0.58 0.07 0.00 0.11 0.00 0.00 30.24 30.41 1yaj n GLN 375 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1yaj h LYS 376 N 0.00 0.02 0.00 -1.09 1.57 -1.99 0.29 116.57 115.36 1yaj h LYS 376 Ca 0.03 -0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.64 1yaj h LYS 376 Cb 0.08 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1yaj h LYS 376 CO -0.18 0.01 -0.81 1.15 -0.57 0.00 0.00 179.45 179.05 1yaj h THR 377 N 0.02 1.53 0.05 -0.16 2.02 -1.05 -2.84 112.91 112.48 1yaj h THR 377 Ca 0.30 -2.83 -0.00 0.00 0.77 0.00 0.00 66.41 64.65 1yaj h THR 377 Cb 0.47 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 69.43 1yaj h THR 377 CO -0.62 0.79 -0.03 0.00 0.37 0.00 0.00 175.52 176.04 1yaj h ALA 378 N 1.19 -0.07 -0.33 6.16 0.00 0.10 0.48 119.26 126.80 1yaj h ALA 378 Ca -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1yaj h ALA 378 Cb 1.48 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 1yaj h ALA 378 CO 0.11 -0.44 0.11 0.52 0.00 0.00 0.00 179.25 179.55 1yaj h MET 379 N -0.28 0.46 -0.01 0.00 2.86 -0.56 0.71 114.93 118.11 1yaj h MET 379 Ca -0.01 -0.06 -0.22 0.00 -2.06 0.00 0.00 59.70 57.36 1yaj h MET 379 Cb 0.25 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.82 1yaj h MET 379 CO 0.01 0.41 -0.90 1.03 1.06 0.00 0.00 176.91 178.51 1yaj h SER 380 N 0.46 0.51 -0.19 1.22 0.87 -1.21 -2.76 113.55 112.45 1yaj h SER 380 Ca 0.11 -0.40 -0.14 0.00 -1.23 0.00 0.00 61.79 60.13 1yaj h SER 380 Cb 0.13 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1yaj h SER 380 CO -0.01 1.19 -0.43 0.25 -0.53 0.00 0.00 176.83 177.30 1yaj h LEU 381 N 0.23 0.71 -0.37 2.23 6.46 0.74 -2.57 115.31 122.74 1yaj h LEU 381 Ca -0.07 -0.56 0.02 0.00 -0.12 0.00 0.00 57.88 57.15 1yaj h LEU 381 Cb 1.53 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 41.23 1yaj h LEU 381 CO 0.16 1.14 0.20 0.25 -0.62 0.00 0.00 178.44 179.57 1yaj h LEU 382 N 0.31 0.32 -0.85 2.25 5.85 -0.94 0.98 115.31 123.24 1yaj h LEU 382 Ca 0.00 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.76 1yaj h LEU 382 Cb 1.04 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.96 1yaj h LEU 382 CO 0.09 0.23 0.55 -0.25 -0.34 0.00 0.00 178.44 178.73 1yaj h TRP 383 N 0.42 1.03 0.00 1.25 -0.00 -1.52 -1.17 115.95 115.95 1yaj h TRP 383 Ca 0.15 0.03 -0.06 0.00 -0.00 0.00 0.00 58.89 59.00 1yaj h TRP 383 Cb 0.02 -0.34 -0.01 0.00 -0.00 0.00 0.00 29.16 28.83 1yaj h TRP 383 CO -0.08 0.61 -0.30 -0.22 -0.00 0.00 0.00 178.44 178.44 1yaj h LYS 384 N 1.08 0.00 -0.80 2.65 3.64 -0.96 -1.80 116.57 120.38 1yaj h LYS 384 Ca 0.33 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1yaj h LYS 384 Cb -0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1yaj h LYS 384 CO -0.10 0.30 0.00 0.43 -2.27 0.00 0.00 179.45 177.81 1yaj n SER 385 N -3.81 1.54 -0.34 4.20 7.64 0.28 -4.40 113.62 118.73 1yaj n SER 385 Ca -0.01 -2.12 0.18 0.00 1.01 0.00 0.00 58.87 57.93 1yaj n SER 385 Cb 0.39 -0.45 0.40 0.00 -1.01 0.00 0.00 64.21 63.54 1yaj n SER 385 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1yaj h TYR 386 N 0.62 0.95 0.00 1.43 3.20 -1.23 -0.39 116.97 121.55 1yaj h TYR 386 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1yaj h TYR 386 Cb 0.63 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.63 1yaj h TYR 386 CO 0.15 0.08 0.00 -0.35 -1.64 0.00 0.00 178.16 176.40 1yaj n PRO 387 N -4.82 0.13 -0.09 1.82 -0.04 -1.26 -0.99 135.00 129.75 1yaj n PRO 387 Ca 0.26 0.47 -0.10 0.00 -0.04 0.00 0.00 63.50 64.09 1yaj n PRO 387 Cb 0.75 -1.80 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 1yaj n PRO 387 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1yaj n LEU 388 N -2.05 1.88 0.10 1.53 4.77 -0.18 -4.61 117.00 118.44 1yaj n LEU 388 Ca 0.01 0.32 0.04 0.00 -0.03 0.00 0.00 56.01 56.35 1yaj n LEU 388 Cb 0.14 -0.72 -0.01 0.00 -2.33 0.00 0.00 43.42 40.50 1yaj n LEU 388 CO 0.14 -0.22 0.10 -0.37 -1.33 0.00 0.00 177.39 175.71 1yaj h VAL 389 N -0.94 0.47 -5.41 4.08 -1.51 -1.59 -3.34 116.25 108.01 1yaj h VAL 389 Ca -0.06 -1.79 -0.42 0.00 -1.23 0.00 0.00 66.70 63.20 1yaj h VAL 389 Cb 1.00 2.05 0.03 0.00 -2.13 0.00 0.00 31.29 32.24 1yaj h VAL 389 CO -0.04 0.27 -0.65 0.00 -1.23 0.00 0.00 177.57 175.92 1yaj s ILE 391 N -3.20 4.52 0.71 0.00 1.01 -1.26 -5.04 121.20 117.94 1yaj s ILE 391 Ca 0.48 1.76 -0.13 0.00 0.00 0.00 0.00 60.65 62.76 1yaj s ILE 391 Cb -0.23 -4.17 0.02 0.00 0.01 0.00 0.00 42.46 38.10 1yaj s ILE 391 CO 0.59 0.42 1.09 0.00 0.00 0.00 0.00 174.94 177.04 1yaj s ALA 392 N -0.52 2.42 -0.03 9.38 0.00 -1.26 -4.91 121.76 126.84 1yaj s ALA 392 Ca 0.39 0.36 -0.25 0.00 0.00 0.00 0.00 51.96 52.46 1yaj s ALA 392 Cb -0.22 -3.28 -0.19 0.00 0.00 0.00 0.00 23.12 19.43 1yaj s ALA 392 CO 0.26 -1.45 1.15 -0.22 0.00 0.00 0.00 175.76 175.49 1yaj h LYS 393 N -0.54 -0.10 0.00 0.00 3.64 -1.98 -2.86 116.57 114.73 1yaj h LYS 393 Ca -0.45 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1yaj h LYS 393 Cb 1.23 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1yaj h LYS 393 CO 0.53 0.37 0.00 -0.85 -2.27 0.00 0.00 179.45 177.23 1yaj n GLU 394 N -4.90 0.06 -0.00 1.90 0.28 -1.26 -0.17 120.64 116.55 1yaj n GLU 394 Ca -0.08 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 56.94 1yaj n GLU 394 Cb 0.26 -1.40 -0.03 0.00 1.43 0.00 0.00 31.44 31.70 1yaj n GLU 394 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1yaj n LEU 395 N -0.90 0.23 -0.15 -1.84 4.77 -1.12 -4.71 117.00 113.28 1yaj n LEU 395 Ca 0.01 -0.43 -0.03 0.00 -0.03 0.00 0.00 56.01 55.54 1yaj n LEU 395 Cb 0.01 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1yaj n LEU 395 CO 0.01 0.06 0.89 0.40 -1.33 0.00 0.00 177.39 177.41 1yaj h ILE 396 N 0.00 0.69 -0.68 -0.08 1.08 -0.34 -1.43 117.51 116.75 1yaj h ILE 396 Ca 0.00 -0.06 0.07 0.00 -0.39 0.00 0.00 64.86 64.47 1yaj h ILE 396 Cb 0.16 0.49 -0.06 0.00 -3.07 0.00 0.00 36.82 34.33 1yaj h ILE 396 CO 0.00 0.03 0.37 -0.65 -0.69 0.00 0.00 178.15 177.22 1yaj h PRO 397 N 0.19 0.65 -0.27 2.37 0.11 -1.84 0.74 132.00 133.95 1yaj h PRO 397 Ca 0.24 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.22 1yaj h PRO 397 Cb 0.34 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 1yaj h PRO 397 CO -0.35 0.43 -0.24 1.49 -0.21 0.00 0.00 178.00 179.13 1yaj h GLU 398 N 0.67 0.52 0.00 1.05 4.81 -1.76 0.11 114.58 119.98 1yaj h GLU 398 Ca 0.31 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1yaj h GLU 398 Cb 0.22 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 1yaj h GLU 398 CO -0.20 0.72 -0.10 0.00 -0.73 0.00 0.00 179.01 178.70 1yaj h ALA 399 N 1.28 0.95 0.04 2.92 0.00 -0.52 -3.19 119.26 120.74 1yaj h ALA 399 Ca 0.07 -0.09 -0.33 0.00 0.00 0.00 0.00 54.91 54.55 1yaj h ALA 399 Cb 0.67 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1yaj h ALA 399 CO 0.05 0.13 -1.93 2.41 0.00 0.00 0.00 179.25 179.91 1yaj n THR 400 N -3.15 1.64 1.96 0.00 -1.04 0.18 -3.77 114.28 110.11 1yaj n THR 400 Ca 0.03 -0.74 0.05 0.00 -2.04 0.00 0.00 64.05 61.35 1yaj n THR 400 Cb 0.51 -1.25 0.31 0.00 -1.82 0.00 0.00 70.33 68.08 1yaj n THR 400 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1yaj n GLU 401 N -3.18 1.04 -0.02 -2.82 4.07 0.33 -2.20 120.64 117.85 1yaj n GLU 401 Ca -0.26 -0.05 -0.01 0.00 -0.06 0.00 0.00 57.16 56.78 1yaj n GLU 401 Cb 1.06 -1.17 -0.06 0.00 -0.06 0.00 0.00 31.44 31.21 1yaj n GLU 401 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1yaj n LYS 402 N -0.61 1.78 -0.00 5.31 3.00 -1.21 -4.00 118.16 122.43 1yaj n LYS 402 Ca 0.08 -0.03 0.07 0.00 -0.00 0.00 0.00 58.31 58.43 1yaj n LYS 402 Cb 0.05 -1.19 -0.09 0.00 0.00 0.00 0.00 35.03 33.80 1yaj n LYS 402 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1yaj n TYR 403 N -2.08 0.00 0.00 5.64 4.02 -1.21 -4.65 117.16 118.89 1yaj n TYR 403 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 1yaj n TYR 403 Cb 0.53 -0.10 0.00 0.00 -0.02 0.00 0.00 39.34 39.75 1yaj n TYR 403 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1yaj n LEU 404 N -1.53 0.00 -0.04 7.72 4.77 -0.93 -4.75 117.00 122.23 1yaj n LEU 404 Ca 0.01 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1yaj n LEU 404 Cb 0.27 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1yaj n LEU 404 CO 0.30 0.00 0.26 0.61 -1.33 0.00 0.00 177.39 177.24 1yaj n GLY 405 N 0.59 -0.43 0.13 -0.72 0.00 -1.24 -3.41 105.19 100.11 1yaj n GLY 405 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1yaj n GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yaj n GLY 406 N 0.07 -0.62 3.80 -0.02 0.00 -1.26 -5.01 105.19 102.15 1yaj n GLY 406 Ca 0.00 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 1yaj n GLY 406 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1yaj s THR 407 N -2.47 1.86 -0.03 2.61 -4.23 -1.22 -5.05 115.64 107.11 1yaj s THR 407 Ca -0.29 -1.68 0.05 0.00 -1.18 0.00 0.00 61.69 58.59 1yaj s THR 407 Cb 0.08 -2.55 -0.08 0.00 1.34 0.00 0.00 72.50 71.30 1yaj s THR 407 CO 0.64 0.00 0.08 0.47 -0.54 0.00 0.00 174.62 175.26 1yaj n ASP 408 N -1.42 3.73 -4.52 3.99 8.00 -1.26 -4.96 116.55 120.11 1yaj n ASP 408 Ca -0.05 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.02 1yaj n ASP 408 Cb 0.65 0.97 -0.06 0.00 -0.02 0.00 0.00 41.12 42.66 1yaj n ASP 408 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1yaj n ASP 409 N -1.92 2.21 0.03 -2.24 -0.08 -1.26 -4.78 116.55 108.51 1yaj n ASP 409 Ca -0.04 0.05 0.01 0.00 -1.51 0.00 0.00 54.79 53.30 1yaj n ASP 409 Cb 0.38 -1.39 0.07 0.00 2.34 0.00 0.00 41.12 42.53 1yaj n ASP 409 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1yaj n THR 410 N 7.61 1.38 0.01 5.18 -2.24 -1.26 -0.74 114.28 124.22 1yaj n THR 410 Ca 0.40 0.54 -0.15 0.00 -2.27 0.00 0.00 64.05 62.58 1yaj n THR 410 Cb 0.35 -1.54 -0.14 0.00 -2.10 0.00 0.00 70.33 66.90 1yaj n THR 410 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1yaj h VAL 411 N 0.00 0.86 0.00 2.28 2.07 -1.82 0.32 116.25 119.96 1yaj h VAL 411 Ca 0.00 -2.62 -0.14 0.00 0.82 0.00 0.00 66.70 64.77 1yaj h VAL 411 Cb 0.27 2.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 1yaj h VAL 411 CO 0.00 0.72 -0.65 0.11 0.02 0.00 0.00 177.57 177.77 1yaj h LYS 412 N 0.04 0.00 -0.09 1.57 1.57 -1.28 -2.99 116.57 115.39 1yaj h LYS 412 Ca -0.32 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.41 1yaj h LYS 412 Cb 2.02 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.32 1yaj h LYS 412 CO 0.10 0.65 -0.21 0.87 -0.57 0.00 0.00 179.45 180.29 1yaj h LYS 413 N 0.00 0.16 -0.14 3.15 1.57 -1.54 -0.30 116.57 119.46 1yaj h LYS 413 Ca -0.01 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.58 1yaj h LYS 413 Cb 1.37 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.67 1yaj h LYS 413 CO 0.08 0.37 -0.50 -0.22 -0.57 0.00 0.00 179.45 178.61 1yaj h LYS 414 N 0.15 0.58 -0.35 3.15 3.64 -1.59 0.27 116.57 122.41 1yaj h LYS 414 Ca 0.03 -0.44 -0.05 0.00 -1.27 0.00 0.00 60.65 58.92 1yaj h LYS 414 Cb 0.46 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1yaj h LYS 414 CO 0.03 1.06 0.02 -0.44 -2.27 0.00 0.00 179.45 177.85 1yaj h ASP 415 N 0.22 0.51 0.86 4.20 3.32 -1.35 0.78 116.42 124.95 1yaj h ASP 415 Ca -0.02 -0.09 -0.17 0.00 0.02 0.00 0.00 57.03 56.76 1yaj h ASP 415 Cb 1.13 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 1yaj h ASP 415 CO 0.11 0.56 -0.82 -0.07 -1.72 0.00 0.00 179.24 177.30 1yaj h LEU 416 N 0.52 0.00 -0.10 1.55 3.38 -0.94 -2.35 115.31 117.37 1yaj h LEU 416 Ca 0.11 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1yaj h LEU 416 Cb 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1yaj h LEU 416 CO 0.01 0.82 -0.10 0.15 0.09 0.00 0.00 178.44 179.41 1yaj h PHE 417 N 0.00 0.29 -0.47 1.13 3.57 -0.22 0.13 116.94 121.37 1yaj h PHE 417 Ca -0.01 -0.09 0.07 0.00 3.53 0.00 0.00 57.97 61.47 1yaj h PHE 417 Cb 1.47 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 40.12 1yaj h PHE 417 CO 0.00 0.66 0.32 -0.07 -2.23 0.00 0.00 178.31 176.99 1yaj h LEU 418 N -0.17 0.32 -0.46 0.59 3.38 -0.86 0.29 115.31 118.39 1yaj h LEU 418 Ca 0.02 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.82 1yaj h LEU 418 Cb 0.61 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1yaj h LEU 418 CO 0.02 0.21 -0.63 0.44 0.09 0.00 0.00 178.44 178.57 1yaj h ASP 419 N 0.36 0.56 0.46 -0.43 3.32 -1.10 -1.95 116.42 117.64 1yaj h ASP 419 Ca 0.21 -0.33 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 1yaj h ASP 419 Cb 0.36 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1yaj h ASP 419 CO -0.05 1.05 -0.34 0.25 -1.72 0.00 0.00 179.24 178.43 1yaj h LEU 420 N 0.36 -0.89 -1.08 1.55 7.12 0.23 0.28 115.31 122.89 1yaj h LEU 420 Ca -0.01 0.06 0.16 0.00 0.13 0.00 0.00 57.88 58.21 1yaj h LEU 420 Cb 1.19 0.27 -0.09 0.00 -0.53 0.00 0.00 40.66 41.50 1yaj h LEU 420 CO 0.11 -0.49 0.62 0.40 -0.13 0.00 0.00 178.44 178.95 1yaj h ILE 421 N -0.77 0.81 0.41 4.05 2.04 -1.16 -2.14 117.51 120.75 1yaj h ILE 421 Ca -0.06 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 1yaj h ILE 421 Cb 0.63 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1yaj h ILE 421 CO 0.03 0.15 -0.20 0.00 0.00 0.00 0.00 178.15 178.13 1yaj h ALA 422 N 1.60 -0.55 -0.98 1.87 0.00 -0.78 -1.93 119.26 118.48 1yaj h ALA 422 Ca 0.52 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.42 1yaj h ALA 422 Cb 0.73 0.21 -0.09 0.00 0.00 0.00 0.00 17.79 18.65 1yaj h ALA 422 CO -0.30 -0.75 0.61 -0.44 0.00 0.00 0.00 179.25 178.36 1yaj h ASP 423 N -0.67 0.85 0.44 0.00 3.32 0.16 0.09 116.42 120.61 1yaj h ASP 423 Ca -0.06 0.06 -0.20 0.00 0.02 0.00 0.00 57.03 56.86 1yaj h ASP 423 Cb 0.49 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1yaj h ASP 423 CO 0.09 0.41 -0.86 0.58 -1.72 0.00 0.00 179.24 177.75 1yaj h VAL 424 N 0.90 1.44 0.21 -1.35 2.07 -1.30 0.21 116.25 118.43 1yaj h VAL 424 Ca 0.51 -2.45 -0.34 0.00 0.82 0.00 0.00 66.70 65.24 1yaj h VAL 424 Cb 0.60 2.37 0.02 0.00 -1.52 0.00 0.00 31.29 32.76 1yaj h VAL 424 CO -0.30 0.72 -1.63 0.24 0.02 0.00 0.00 177.57 176.62 1yaj h MET 425 N 0.18 0.45 0.00 1.57 2.86 -0.88 -3.41 114.93 115.70 1yaj h MET 425 Ca -0.05 -0.77 -0.02 0.00 -2.06 0.00 0.00 59.70 56.80 1yaj h MET 425 Cb 1.48 0.29 -0.00 0.00 0.06 0.00 0.00 31.60 33.42 1yaj h MET 425 CO 0.14 1.36 -1.07 1.19 1.06 0.00 0.00 176.91 179.59 1yaj n PHE 426 N -3.63 0.00 0.00 -0.22 3.01 -0.03 -4.60 117.46 111.99 1yaj n PHE 426 Ca -0.21 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.25 1yaj n PHE 426 Cb 1.09 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 40.51 1yaj n PHE 426 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yaj n GLY 427 N 3.07 -1.24 0.36 1.37 0.00 -0.91 -0.86 105.19 107.00 1yaj n GLY 427 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.02 1yaj n GLY 427 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1yaj h VAL 428 N 0.00 0.03 -0.07 1.61 2.07 -0.90 -1.71 116.25 117.29 1yaj h VAL 428 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1yaj h VAL 428 Cb 0.00 0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 29.74 1yaj h VAL 428 CO 0.00 0.00 -0.42 -0.65 0.02 0.00 0.00 177.57 176.52 1yaj h PRO 429 N -0.01 -0.51 -0.45 1.57 0.11 -1.73 0.30 132.00 131.27 1yaj h PRO 429 Ca 0.40 0.03 0.07 0.00 0.11 0.00 0.00 66.00 66.62 1yaj h PRO 429 Cb 0.65 0.12 -0.06 0.00 0.11 0.00 0.00 31.00 31.81 1yaj h PRO 429 CO -0.97 -0.34 0.09 0.77 -0.21 0.00 0.00 178.00 177.34 1yaj h SER 430 N -0.53 0.01 0.02 -2.05 0.02 -0.29 0.14 113.55 110.87 1yaj h SER 430 Ca 0.06 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1yaj h SER 430 Cb 0.64 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1yaj h SER 430 CO -0.36 0.04 -0.01 0.58 -1.14 0.00 0.00 176.83 175.94 1yaj h VAL 431 N 0.23 1.11 -0.08 2.27 2.07 -0.77 -1.95 116.25 119.12 1yaj h VAL 431 Ca 0.22 -0.41 0.02 0.00 0.82 0.00 0.00 66.70 67.35 1yaj h VAL 431 Cb 0.28 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1yaj h VAL 431 CO -0.29 0.11 0.11 0.40 0.02 0.00 0.00 177.57 177.92 1yaj h ILE 432 N -0.21 0.43 -0.21 4.57 2.04 0.01 -0.30 117.51 123.85 1yaj h ILE 432 Ca -0.00 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.76 1yaj h ILE 432 Cb 0.20 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1yaj h ILE 432 CO 0.01 0.00 -0.25 0.58 0.00 0.00 0.00 178.15 178.49 1yaj h VAL 433 N 0.00 1.33 -0.36 1.67 2.07 -0.24 -2.65 116.25 118.07 1yaj h VAL 433 Ca 0.04 -1.43 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 1yaj h VAL 433 Cb 0.25 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1yaj h VAL 433 CO -0.00 0.44 0.17 0.00 0.02 0.00 0.00 177.57 178.20 1yaj h ALA 434 N 0.64 0.46 -0.49 1.67 0.00 -0.52 -0.77 119.26 120.24 1yaj h ALA 434 Ca 0.03 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1yaj h ALA 434 Cb 0.81 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1yaj h ALA 434 CO 0.06 0.03 0.33 0.00 0.00 0.00 0.00 179.25 179.67 1yaj h ARG 435 N 0.44 0.48 0.00 0.00 3.08 -1.33 0.63 114.38 117.68 1yaj h ARG 435 Ca 0.12 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 59.99 1yaj h ARG 435 Cb 0.13 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1yaj h ARG 435 CO -0.01 0.32 -0.74 -0.91 -1.07 0.00 0.00 179.97 177.55 1yaj h ASN 436 N 0.49 0.00 0.65 7.04 -0.26 -1.09 -1.65 115.58 120.76 1yaj h ASN 436 Ca 0.21 0.00 -0.27 0.00 -0.56 0.00 0.00 56.30 55.67 1yaj h ASN 436 Cb 0.20 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.46 1yaj h ASN 436 CO -0.05 0.74 -1.26 -0.74 -1.06 0.00 0.00 177.43 175.06 1yaj h HIS 437 N 0.00 0.42 0.62 1.19 2.76 0.49 -2.70 115.15 117.94 1yaj h HIS 437 Ca -0.01 -0.31 -0.03 0.00 -2.20 0.00 0.00 60.37 57.82 1yaj h HIS 437 Cb 1.51 -0.02 0.01 0.00 1.55 0.00 0.00 27.41 30.46 1yaj h HIS 437 CO 0.00 1.26 -0.30 -0.09 -1.30 0.00 0.00 177.93 177.50 1yaj h ARG 438 N 0.06 -0.80 -0.21 5.26 2.43 0.14 -2.90 114.38 118.36 1yaj h ARG 438 Ca -0.14 0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.15 1yaj h ARG 438 Cb 1.96 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 31.68 1yaj h ARG 438 CO 0.19 -0.53 0.39 -0.44 -1.51 0.00 0.00 179.97 178.07 1yaj h ASP 439 N -1.21 0.00 1.42 -3.80 5.19 -1.41 0.25 116.42 116.86 1yaj h ASP 439 Ca -0.08 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1yaj h ASP 439 Cb 0.64 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.15 1yaj h ASP 439 CO 0.14 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.26 1yaj h ALA 440 N 1.41 1.00 0.00 3.45 0.00 -1.41 -3.47 119.26 120.25 1yaj h ALA 440 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1yaj h ALA 440 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1yaj h ALA 440 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1yaj n GLY 441 N 0.72 0.94 3.03 0.00 0.00 0.86 -4.92 105.19 105.81 1yaj n GLY 441 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 1yaj n GLY 441 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj s ALA 442 N -1.78 -0.14 -0.30 4.61 0.00 -1.10 -4.99 121.76 118.06 1yaj s ALA 442 Ca 0.00 -0.20 -0.31 0.00 0.00 0.00 0.00 51.96 51.45 1yaj s ALA 442 Cb 0.00 0.06 -0.08 0.00 0.00 0.00 0.00 23.12 23.10 1yaj s ALA 442 CO 0.00 -0.15 2.24 -2.30 0.00 0.00 0.00 175.76 175.55 1yaj n PRO 443 N 1.89 1.51 -4.69 0.00 -0.02 -1.26 -4.22 135.00 128.20 1yaj n PRO 443 Ca -0.21 0.39 -0.33 0.00 -2.02 0.00 0.00 63.50 61.33 1yaj n PRO 443 Cb 0.56 -2.94 -0.13 0.00 -0.02 0.00 0.00 33.50 30.98 1yaj n PRO 443 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1yaj s THR 444 N 8.32 3.40 -0.04 3.45 2.01 -1.26 -1.13 115.64 130.38 1yaj s THR 444 Ca 1.05 -0.57 0.02 0.00 0.31 0.00 0.00 61.69 62.50 1yaj s THR 444 Cb -0.53 -2.40 0.01 0.00 0.01 0.00 0.00 72.50 69.58 1yaj s THR 444 CO 0.40 0.56 -0.10 -0.31 -0.69 0.00 0.00 174.62 174.48 1yaj s TYR 445 N -0.26 1.07 0.28 4.92 2.02 -0.42 0.24 117.35 125.19 1yaj s TYR 445 Ca 0.03 -0.30 0.11 0.00 -0.37 0.00 0.00 57.07 56.53 1yaj s TYR 445 Cb -0.13 -0.78 -0.05 0.00 -0.40 0.00 0.00 41.96 40.60 1yaj s TYR 445 CO 0.03 -0.15 -0.17 -1.64 -1.57 0.00 0.00 175.55 172.05 1yaj s MET 446 N 0.36 1.64 0.13 -0.62 -1.94 -1.26 -0.99 119.30 116.62 1yaj s MET 446 Ca -0.06 -1.77 -0.20 0.00 -1.71 0.00 0.00 55.69 51.95 1yaj s MET 446 Cb -0.11 -1.64 0.05 0.00 2.01 0.00 0.00 34.83 35.15 1yaj s MET 446 CO 0.01 0.27 0.51 1.52 -0.01 0.00 0.00 175.02 177.32 1yaj s TYR 447 N -2.61 -0.39 -0.32 -0.03 1.13 -1.18 -1.73 117.35 112.22 1yaj s TYR 447 Ca 0.29 0.17 -0.01 0.00 -1.41 0.00 0.00 57.07 56.10 1yaj s TYR 447 Cb -0.03 0.42 0.11 0.00 -1.10 0.00 0.00 41.96 41.35 1yaj s TYR 447 CO 0.14 -0.77 0.12 -2.00 -2.51 0.00 0.00 175.55 170.53 1yaj s GLU 448 N -3.64 0.60 0.17 -3.49 2.12 -0.15 -1.88 118.70 112.43 1yaj s GLU 448 Ca 0.01 -1.01 -0.31 0.00 0.36 0.00 0.00 54.97 54.02 1yaj s GLU 448 Cb 0.00 -1.74 -0.10 0.00 0.26 0.00 0.00 34.13 32.56 1yaj s GLU 448 CO -0.11 -1.03 1.53 0.12 -0.54 0.00 0.00 175.26 175.23 1yaj s PHE 449 N 1.62 3.07 -0.41 5.30 5.36 -0.26 -2.68 117.98 129.98 1yaj s PHE 449 Ca 0.11 0.73 0.04 0.00 -0.96 0.00 0.00 56.93 56.84 1yaj s PHE 449 Cb -0.18 -3.88 0.17 0.00 -0.34 0.00 0.00 43.02 38.79 1yaj s PHE 449 CO -0.25 -3.19 0.34 -1.14 -1.46 0.00 0.00 175.22 169.52 1yaj s GLN 450 N 0.88 0.91 -0.08 10.12 0.74 0.95 -2.22 119.66 130.97 1yaj s GLN 450 Ca 0.68 -2.09 -0.23 0.00 0.05 0.00 0.00 55.36 53.77 1yaj s GLN 450 Cb -0.43 -1.43 0.05 0.00 1.10 0.00 0.00 33.01 32.30 1yaj s GLN 450 CO 0.33 -1.38 0.53 -0.47 -0.55 0.00 0.00 175.29 173.75 1yaj s TYR 451 N 0.09 -0.49 -0.37 1.67 5.04 -1.26 -4.25 117.35 117.78 1yaj s TYR 451 Ca 0.32 0.94 -0.07 0.00 -2.44 0.00 0.00 57.07 55.82 1yaj s TYR 451 Cb 0.03 0.26 0.06 0.00 0.35 0.00 0.00 41.96 42.65 1yaj s TYR 451 CO -0.19 -0.46 0.15 0.50 -1.34 0.00 0.00 175.55 174.22 1yaj s ARG 452 N -0.86 2.54 0.55 4.97 3.52 -1.26 -2.03 118.95 126.37 1yaj s ARG 452 Ca -0.09 -1.33 -0.20 0.00 -0.13 0.00 0.00 55.73 53.98 1yaj s ARG 452 Cb -0.03 -3.55 -0.05 0.00 -1.56 0.00 0.00 34.95 29.76 1yaj s ARG 452 CO 0.06 -0.79 1.19 -1.25 -0.81 0.00 0.00 175.30 173.70 1yaj s PRO 453 N 1.37 3.25 0.00 5.12 0.04 -1.26 -4.91 135.00 138.61 1yaj s PRO 453 Ca 0.01 1.80 0.06 0.00 0.04 0.00 0.00 61.00 62.91 1yaj s PRO 453 Cb -0.21 -2.08 0.27 0.00 0.04 0.00 0.00 34.50 32.52 1yaj s PRO 453 CO 0.02 -0.98 1.19 -1.13 0.04 0.00 0.00 177.00 176.13 1yaj n SER 454 N -1.24 0.46 -0.01 6.66 3.41 -1.26 -2.92 113.62 118.72 1yaj n SER 454 Ca 0.12 -1.90 0.10 0.00 -0.26 0.00 0.00 58.87 56.92 1yaj n SER 454 Cb 0.49 -0.05 -0.14 0.00 -0.26 0.00 0.00 64.21 64.25 1yaj n SER 454 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1yaj n PHE 455 N -0.30 0.00 -1.62 7.33 0.99 -1.26 -5.00 117.46 117.61 1yaj n PHE 455 Ca 0.05 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 57.09 1yaj n PHE 455 Cb 0.09 -0.30 0.01 0.00 -1.00 0.00 0.00 39.48 38.28 1yaj n PHE 455 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1yaj n SER 456 N -1.94 1.41 -4.64 4.37 7.64 -1.15 -4.86 113.62 114.46 1yaj n SER 456 Ca -0.01 1.04 -0.48 0.00 1.01 0.00 0.00 58.87 60.43 1yaj n SER 456 Cb 0.44 -1.37 -0.04 0.00 -1.01 0.00 0.00 64.21 62.23 1yaj n SER 456 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1yaj n SER 457 N 0.44 2.49 0.32 6.43 2.88 -1.26 -4.81 113.62 120.11 1yaj n SER 457 Ca 0.09 1.11 0.19 0.00 -1.33 0.00 0.00 58.87 58.93 1yaj n SER 457 Cb 0.39 -1.35 0.98 0.00 -0.75 0.00 0.00 64.21 63.49 1yaj n SER 457 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1yaj h ASP 458 N 5.04 0.00 0.10 -3.46 3.32 -1.98 0.17 116.42 119.62 1yaj h ASP 458 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1yaj h ASP 458 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1yaj h ASP 458 CO 0.82 0.00 0.00 0.23 -1.72 0.00 0.00 179.24 178.57 1yaj n MET 459 N -3.11 0.69 -3.48 3.56 2.81 -1.26 -4.76 117.12 111.57 1yaj n MET 459 Ca -0.02 0.01 -0.36 0.00 -1.81 0.00 0.00 57.70 55.53 1yaj n MET 459 Cb 0.25 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.21 1yaj n MET 459 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1yaj s LYS 460 N -2.13 3.88 0.87 0.03 2.20 0.60 -5.07 119.74 120.12 1yaj s LYS 460 Ca 0.34 0.34 -0.11 0.00 -0.36 0.00 0.00 55.97 56.19 1yaj s LYS 460 Cb 0.17 -3.04 0.12 0.00 -1.51 0.00 0.00 37.83 33.57 1yaj s LYS 460 CO 0.31 0.57 1.11 -1.25 -0.36 0.00 0.00 175.35 175.73 1yaj s PRO 461 N -1.70 1.42 0.01 4.03 0.04 -1.26 -4.98 135.00 132.55 1yaj s PRO 461 Ca 0.32 1.22 0.14 0.00 0.04 0.00 0.00 61.00 62.71 1yaj s PRO 461 Cb -0.15 -1.80 -0.19 0.00 0.04 0.00 0.00 34.50 32.40 1yaj s PRO 461 CO 0.17 -2.25 0.77 0.87 0.04 0.00 0.00 177.00 176.61 1yaj h LYS 462 N -1.57 0.00 -0.63 4.56 1.57 -1.97 -3.35 116.57 115.17 1yaj h LYS 462 Ca -0.46 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.30 1yaj h LYS 462 Cb 1.26 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.54 1yaj h LYS 462 CO 0.48 0.46 0.32 1.79 -0.57 0.00 0.00 179.45 181.93 1yaj h THR 463 N 0.00 1.21 -1.63 -0.16 1.35 -2.04 -3.41 112.91 108.23 1yaj h THR 463 Ca -0.22 -0.56 -0.61 0.00 -0.55 0.00 0.00 66.41 64.47 1yaj h THR 463 Cb 1.85 0.43 -0.01 0.00 -1.73 0.00 0.00 68.15 68.68 1yaj h THR 463 CO 0.07 0.24 1.49 0.52 -0.25 0.00 0.00 175.52 177.58 1yaj n VAL 464 N -4.52 0.25 -4.29 6.82 0.31 -1.26 -4.94 118.33 110.71 1yaj n VAL 464 Ca 0.04 -0.42 -0.34 0.00 -0.01 0.00 0.00 64.34 63.62 1yaj n VAL 464 Cb 0.11 -2.26 -0.13 0.00 -0.91 0.00 0.00 33.84 30.65 1yaj n VAL 464 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1yaj s ILE 465 N 8.32 3.55 -0.67 2.52 1.01 -1.26 -4.67 121.20 129.98 1yaj s ILE 465 Ca 1.04 -0.46 -0.03 0.00 0.00 0.00 0.00 60.65 61.20 1yaj s ILE 465 Cb -0.51 -2.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 1yaj s ILE 465 CO 0.39 0.47 0.60 0.61 0.00 0.00 0.00 174.94 177.01 1yaj n GLY 466 N 4.03 -0.66 3.94 6.18 0.00 -0.86 -3.76 105.19 114.06 1yaj n GLY 466 Ca -0.18 0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 1yaj n GLY 466 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yaj s ASP 467 N -3.11 4.06 0.01 1.61 2.15 -1.26 -2.09 116.67 118.04 1yaj s ASP 467 Ca 0.23 0.31 -0.36 0.00 0.43 0.00 0.00 52.55 53.16 1yaj s ASP 467 Cb -0.03 -0.66 -0.15 0.00 -0.30 0.00 0.00 42.92 41.77 1yaj s ASP 467 CO 0.52 -2.11 1.54 1.57 -0.17 0.00 0.00 175.17 176.52 1yaj n HIS 468 N -3.28 1.89 -1.08 -5.34 -0.00 -1.20 -1.08 115.22 105.13 1yaj n HIS 468 Ca 0.12 0.46 -0.03 0.00 -0.00 0.00 0.00 57.72 58.27 1yaj n HIS 468 Cb 0.60 -2.44 -0.01 0.00 -0.00 0.00 0.00 29.99 28.14 1yaj n HIS 468 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1yaj n GLY 469 N 3.28 0.57 0.16 1.57 0.00 -1.26 -4.90 105.19 104.61 1yaj n GLY 469 Ca 0.20 -0.30 0.02 0.00 0.00 0.00 0.00 46.02 45.94 1yaj n GLY 469 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1yaj h ASP 470 N 0.00 0.00 0.90 1.61 3.32 -1.45 -2.88 116.42 117.92 1yaj h ASP 470 Ca -0.06 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 1yaj h ASP 470 Cb 0.38 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 1yaj h ASP 470 CO 0.09 0.50 -0.15 1.05 -1.72 0.00 0.00 179.24 179.01 1yaj h GLU 471 N 0.00 0.00 -0.73 3.56 9.09 -1.91 -3.15 114.58 121.45 1yaj h GLU 471 Ca -0.00 0.00 0.16 0.00 0.05 0.00 0.00 59.36 59.56 1yaj h GLU 471 Cb 1.02 0.00 -0.11 0.00 -1.65 0.00 0.00 28.75 28.01 1yaj h GLU 471 CO 0.06 0.15 0.18 -0.07 0.05 0.00 0.00 179.01 179.39 1yaj h LEU 472 N 0.00 0.03 -0.87 3.06 3.38 -1.91 0.73 115.31 119.72 1yaj h LEU 472 Ca -0.00 0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.14 1yaj h LEU 472 Cb 0.64 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.52 1yaj h LEU 472 CO 0.02 -0.03 0.56 -0.26 0.09 0.00 0.00 178.44 178.83 1yaj h PHE 473 N 0.28 1.06 -0.28 1.13 -1.00 -1.74 0.76 116.94 117.15 1yaj h PHE 473 Ca 0.41 0.03 -0.15 0.00 2.81 0.00 0.00 57.97 61.07 1yaj h PHE 473 Cb 0.69 -0.35 -0.01 0.00 3.61 0.00 0.00 35.95 39.89 1yaj h PHE 473 CO -0.26 0.61 -0.43 0.77 -1.61 0.00 0.00 178.31 177.40 1yaj h SER 474 N 1.10 0.74 -0.42 2.17 0.02 -1.13 -0.93 113.55 115.09 1yaj h SER 474 Ca 0.35 -0.35 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 1yaj h SER 474 Cb -0.00 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 1yaj h SER 474 CO -0.11 1.07 -0.24 0.58 -1.14 0.00 0.00 176.83 176.98 1yaj h VAL 475 N 0.56 1.27 -0.74 2.27 2.07 -0.27 -3.16 116.25 118.25 1yaj h VAL 475 Ca 0.04 -1.40 -0.35 0.00 0.82 0.00 0.00 66.70 65.80 1yaj h VAL 475 Cb 0.97 1.18 -0.21 0.00 -1.52 0.00 0.00 31.29 31.71 1yaj h VAL 475 CO 0.09 0.48 0.35 0.49 0.02 0.00 0.00 177.57 179.00 1yaj n PHE 476 N -4.10 2.31 -4.05 1.57 3.01 0.20 -4.74 117.46 111.65 1yaj n PHE 476 Ca -0.00 -1.64 -0.40 0.00 1.01 0.00 0.00 57.45 56.42 1yaj n PHE 476 Cb 0.47 -0.75 0.01 0.00 -0.01 0.00 0.00 39.48 39.20 1yaj n PHE 476 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yaj n GLY 477 N -0.97 -0.66 0.24 1.37 0.00 -0.95 -4.66 105.19 99.56 1yaj n GLY 477 Ca 0.48 0.27 -0.06 0.00 0.00 0.00 0.00 46.02 46.70 1yaj n GLY 477 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj h ALA 478 N 1.82 0.74 0.00 4.61 0.00 -1.49 -2.59 119.26 122.35 1yaj h ALA 478 Ca -0.61 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1yaj h ALA 478 Cb 1.21 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1yaj h ALA 478 CO 0.46 0.20 0.41 -1.35 0.00 0.00 0.00 179.25 178.97 1yaj h PRO 479 N 0.78 0.00 -0.05 0.00 0.11 -1.87 0.20 132.00 131.17 1yaj h PRO 479 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1yaj h PRO 479 Cb -0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.06 1yaj h PRO 479 CO -0.04 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.94 1yaj n PHE 480 N -2.14 0.04 -0.03 0.65 3.01 -0.98 -4.58 117.46 113.43 1yaj n PHE 480 Ca -0.01 -0.03 -0.05 0.00 1.01 0.00 0.00 57.45 58.37 1yaj n PHE 480 Cb 0.43 -0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.88 1yaj n PHE 480 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1yaj n LEU 481 N 1.07 1.90 -5.00 4.37 4.77 0.63 -4.93 117.00 119.80 1yaj n LEU 481 Ca 0.11 0.01 -0.24 0.00 -0.03 0.00 0.00 56.01 55.87 1yaj n LEU 481 Cb 0.47 -0.19 0.11 0.00 -2.33 0.00 0.00 43.42 41.49 1yaj n LEU 481 CO 0.12 0.39 0.56 -0.54 -1.33 0.00 0.00 177.39 176.59 1yaj s LYS 482 N -2.11 1.60 0.18 3.23 1.02 -0.70 -4.35 119.74 118.61 1yaj s LYS 482 Ca -0.08 -1.20 0.11 0.00 0.02 0.00 0.00 55.97 54.81 1yaj s LYS 482 Cb 0.02 -2.33 -0.04 0.00 -0.52 0.00 0.00 37.83 34.96 1yaj s LYS 482 CO 0.12 -1.51 -0.20 -2.00 -0.92 0.00 0.00 175.35 170.84 1yaj s GLU 483 N -5.16 1.67 0.00 1.68 2.56 -1.26 -4.74 118.70 113.45 1yaj s GLU 483 Ca 0.67 -1.43 0.00 0.00 0.00 0.00 0.00 54.97 54.21 1yaj s GLU 483 Cb -0.05 -1.94 0.00 0.00 2.00 0.00 0.00 34.13 34.14 1yaj s GLU 483 CO 0.45 0.41 0.00 0.41 -0.56 0.00 0.00 175.26 175.97 1yaj n GLY 484 N 0.26 0.99 3.71 -1.50 0.00 -1.26 -5.02 105.19 102.36 1yaj n GLY 484 Ca -0.12 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1yaj n GLY 484 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj s ALA 485 N -2.00 3.37 0.49 4.61 0.00 -1.26 -4.97 121.76 122.00 1yaj s ALA 485 Ca 0.00 0.78 -0.18 0.00 0.00 0.00 0.00 51.96 52.56 1yaj s ALA 485 Cb 0.00 -3.44 -0.09 0.00 0.00 0.00 0.00 23.12 19.60 1yaj s ALA 485 CO 0.00 -0.43 0.99 -1.54 0.00 0.00 0.00 175.76 174.77 1yaj s SER 486 N 1.09 6.60 0.37 0.00 1.04 -1.26 -4.83 113.70 116.72 1yaj s SER 486 Ca 0.57 1.69 0.08 0.00 0.48 0.00 0.00 55.95 58.77 1yaj s SER 486 Cb -0.28 -2.53 0.81 0.00 0.10 0.00 0.00 66.02 64.13 1yaj s SER 486 CO 0.28 -0.60 1.93 -0.08 0.98 0.00 0.00 173.24 175.75 1yaj h GLU 487 N 1.29 0.66 -0.71 4.02 4.57 -1.99 1.00 114.58 123.43 1yaj h GLU 487 Ca -0.48 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 57.67 1yaj h GLU 487 Cb 1.19 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 29.60 1yaj h GLU 487 CO 0.61 0.44 0.47 1.49 -1.18 0.00 0.00 179.01 180.83 1yaj h GLU 488 N 0.68 0.92 -0.02 1.92 4.81 -2.00 -1.75 114.58 119.14 1yaj h GLU 488 Ca 0.36 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.44 1yaj h GLU 488 Cb 0.49 -0.21 0.01 0.00 0.63 0.00 0.00 28.75 29.66 1yaj h GLU 488 CO -0.14 0.61 -0.36 1.49 -0.73 0.00 0.00 179.01 179.89 1yaj h GLU 489 N 0.95 0.28 -0.52 1.92 4.81 -1.41 -2.38 114.58 118.24 1yaj h GLU 489 Ca 0.26 -0.27 0.15 0.00 -0.13 0.00 0.00 59.36 59.37 1yaj h GLU 489 Cb -0.09 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1yaj h GLU 489 CO -0.06 0.96 0.38 0.82 -0.73 0.00 0.00 179.01 180.37 1yaj h ILE 490 N -0.29 0.73 0.31 2.32 2.04 -0.80 0.54 117.51 122.36 1yaj h ILE 490 Ca -0.04 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 1yaj h ILE 490 Cb 1.07 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1yaj h ILE 490 CO 0.07 0.00 -0.15 -0.09 0.00 0.00 0.00 178.15 177.98 1yaj h ARG 491 N 0.00 -0.40 -0.49 2.37 2.43 -1.20 -2.34 114.38 114.75 1yaj h ARG 491 Ca 0.25 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.49 1yaj h ARG 491 Cb 1.00 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.59 1yaj h ARG 491 CO -0.00 -0.07 0.23 1.25 -1.51 0.00 0.00 179.97 179.86 1yaj h LEU 492 N -0.82 0.31 -1.22 3.80 5.85 -0.48 -1.17 115.31 121.59 1yaj h LEU 492 Ca -0.04 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.76 1yaj h LEU 492 Cb 0.52 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 1yaj h LEU 492 CO 0.07 0.22 0.54 -1.28 -0.34 0.00 0.00 178.44 177.65 1yaj h SER 493 N 0.45 0.85 -0.11 1.25 0.87 -0.05 -1.81 113.55 115.00 1yaj h SER 493 Ca 0.22 -0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.63 1yaj h SER 493 Cb 0.16 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1yaj h SER 493 CO -0.17 0.57 -0.43 0.50 -0.53 0.00 0.00 176.83 176.77 1yaj h LYS 494 N 0.98 0.65 0.41 2.24 3.64 -0.68 -2.95 116.57 120.85 1yaj h LYS 494 Ca 0.34 -0.35 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1yaj h LYS 494 Cb 0.11 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1yaj h LYS 494 CO -0.11 0.95 -0.20 1.98 -2.27 0.00 0.00 179.45 179.80 1yaj h MET 495 N 0.53 -0.53 -0.52 1.90 4.05 -0.52 -2.88 114.93 116.95 1yaj h MET 495 Ca 0.04 0.04 0.09 0.00 -0.28 0.00 0.00 59.70 59.59 1yaj h MET 495 Cb 0.96 0.12 -0.07 0.00 -0.80 0.00 0.00 31.60 31.80 1yaj h MET 495 CO 0.09 -0.22 0.11 0.28 0.23 0.00 0.00 176.91 177.40 1yaj h VAL 496 N -0.90 0.70 -0.23 -5.77 2.07 -1.45 -1.48 116.25 109.20 1yaj h VAL 496 Ca -0.06 -0.08 0.06 0.00 0.82 0.00 0.00 66.70 67.44 1yaj h VAL 496 Cb 0.55 0.44 -0.07 0.00 -1.52 0.00 0.00 31.29 30.69 1yaj h VAL 496 CO 0.09 0.04 -0.34 0.24 0.02 0.00 0.00 177.57 177.63 1yaj h MET 497 N 0.24 -0.34 -0.97 1.57 2.07 -1.53 0.31 114.93 116.28 1yaj h MET 497 Ca 0.27 0.02 0.05 0.00 -2.07 0.00 0.00 59.70 57.97 1yaj h MET 497 Cb 0.36 0.08 -0.06 0.00 -1.87 0.00 0.00 31.60 30.11 1yaj h MET 497 CO -0.34 -0.23 0.63 0.87 1.07 0.00 0.00 176.91 178.91 1yaj h LYS 498 N -0.35 1.16 0.42 1.72 1.57 -1.19 0.12 116.57 120.01 1yaj h LYS 498 Ca 0.12 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1yaj h LYS 498 Cb 0.55 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1yaj h LYS 498 CO -0.42 0.76 -0.32 0.74 -0.57 0.00 0.00 179.45 179.64 1yaj h PHE 499 N 1.19 -0.85 0.04 -1.35 0.05 -0.19 0.95 116.94 116.79 1yaj h PHE 499 Ca 0.40 -0.00 0.03 0.00 3.82 0.00 0.00 57.97 62.22 1yaj h PHE 499 Cb 0.07 0.32 -0.05 0.00 2.00 0.00 0.00 35.95 38.29 1yaj h PHE 499 CO -0.01 -0.47 -0.40 -1.49 -0.18 0.00 0.00 178.31 175.76 1yaj h TRP 500 N -0.73 -1.13 -0.06 -0.55 -0.00 0.33 0.75 115.95 114.57 1yaj h TRP 500 Ca -0.04 0.03 -0.05 0.00 -0.00 0.00 0.00 58.89 58.83 1yaj h TRP 500 Cb 0.63 0.49 -0.01 0.00 -0.00 0.00 0.00 29.16 30.27 1yaj h TRP 500 CO -0.14 -0.49 -0.22 0.00 -0.00 0.00 0.00 178.44 177.59 1yaj h ALA 501 N -0.04 1.54 -0.39 1.49 0.00 -0.71 0.15 119.26 121.30 1yaj h ALA 501 Ca 0.04 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1yaj h ALA 501 Cb 0.65 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1yaj h ALA 501 CO -0.28 0.34 -0.09 -0.91 0.00 0.00 0.00 179.25 178.31 1yaj h ASN 502 N 0.09 0.65 0.81 0.00 4.21 0.31 -0.14 115.58 121.51 1yaj h ASN 502 Ca 0.01 -0.18 -0.11 0.00 1.21 0.00 0.00 56.30 57.24 1yaj h ASN 502 Cb 0.44 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 37.45 1yaj h ASN 502 CO 0.03 0.78 -0.52 0.15 -1.29 0.00 0.00 177.43 176.58 1yaj h PHE 503 N 0.62 0.00 -0.18 1.19 3.57 0.13 -2.87 116.94 119.41 1yaj h PHE 503 Ca 0.11 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.44 1yaj h PHE 503 Cb 0.52 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.26 1yaj h PHE 503 CO 0.02 0.52 -0.58 0.00 -2.23 0.00 0.00 178.31 176.04 1yaj h ALA 504 N 1.48 0.65 0.16 2.41 0.00 0.29 1.00 119.26 125.25 1yaj h ALA 504 Ca -0.01 -0.53 -0.30 0.00 0.00 0.00 0.00 54.91 54.07 1yaj h ALA 504 Cb 1.06 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.80 1yaj h ALA 504 CO 0.07 0.70 -1.30 0.00 0.00 0.00 0.00 179.25 178.72 1yaj h ARG 505 N 0.43 0.51 0.00 0.00 3.08 -1.02 -3.40 114.38 113.97 1yaj h ARG 505 Ca 0.00 -0.76 0.00 0.00 0.07 0.00 0.00 59.98 59.29 1yaj h ARG 505 Cb 1.14 0.27 0.00 0.00 0.08 0.00 0.00 29.97 31.46 1yaj h ARG 505 CO 0.11 1.35 0.00 0.09 -1.07 0.00 0.00 179.97 180.45 1yaj n ASN 506 N -3.71 1.13 -3.45 7.04 3.02 -1.09 -4.99 115.26 113.21 1yaj n ASN 506 Ca -0.13 -1.44 -0.25 0.00 -0.03 0.00 0.00 54.58 52.73 1yaj n ASN 506 Cb 1.02 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 40.24 1yaj n ASN 506 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yaj n GLY 507 N -0.22 -0.53 3.39 7.41 0.00 0.34 -4.94 105.19 110.64 1yaj n GLY 507 Ca 0.00 0.20 0.02 0.00 0.00 0.00 0.00 46.02 46.23 1yaj n GLY 507 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1yaj s ASN 508 N -3.07 -1.08 0.22 1.61 3.84 -1.24 -4.88 114.94 110.33 1yaj s ASN 508 Ca 0.50 1.09 -0.08 0.00 0.21 0.00 0.00 52.86 54.58 1yaj s ASN 508 Cb -0.23 2.08 0.17 0.00 -0.55 0.00 0.00 41.25 42.71 1yaj s ASN 508 CO 0.62 -0.21 1.80 1.55 -2.79 0.00 0.00 177.10 178.07 1yaj h PRO 509 N 7.92 1.19 -6.38 0.43 0.13 -1.79 -3.17 132.00 130.34 1yaj h PRO 509 Ca -0.19 -0.19 -0.59 0.00 -0.87 0.00 0.00 66.00 64.15 1yaj h PRO 509 Cb 1.13 -0.21 0.16 0.00 0.13 0.00 0.00 31.00 32.22 1yaj h PRO 509 CO 0.14 0.94 -0.48 0.09 -0.23 0.00 0.00 178.00 178.45 1yaj n ASN 510 N -4.31 -1.27 -3.65 1.44 3.02 -1.26 -4.41 115.26 104.83 1yaj n ASN 510 Ca 0.08 0.79 0.01 0.00 -0.03 0.00 0.00 54.58 55.42 1yaj n ASN 510 Cb 0.16 -1.12 -0.00 0.00 -0.61 0.00 0.00 39.78 38.21 1yaj n ASN 510 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1yaj s GLY 511 N -1.06 -0.35 0.03 7.41 0.00 -1.26 -4.93 107.32 107.15 1yaj s GLY 511 Ca 0.65 0.53 -0.30 0.00 0.00 0.00 0.00 44.72 45.60 1yaj s GLY 511 CO 0.57 0.37 1.42 -0.54 0.00 0.00 0.00 173.10 174.93 1yaj s GLU 512 N -2.58 4.28 0.00 2.90 2.02 -1.26 -2.77 118.70 121.30 1yaj s GLU 512 Ca 0.15 2.02 0.00 0.00 0.02 0.00 0.00 54.97 57.15 1yaj s GLU 512 Cb 0.03 -3.51 0.00 0.00 0.10 0.00 0.00 34.13 30.75 1yaj s GLU 512 CO -0.02 -0.56 0.00 0.41 0.02 0.00 0.00 175.26 175.11 1yaj n GLY 513 N 3.64 0.87 3.09 -1.39 0.00 -1.26 -5.08 105.19 105.06 1yaj n GLY 513 Ca 0.13 -0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 1yaj n GLY 513 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yaj s LEU 514 N 0.00 2.13 1.03 0.99 1.43 -1.12 -5.12 118.68 118.02 1yaj s LEU 514 Ca 0.00 -0.37 -0.19 0.00 -1.03 0.00 0.00 54.13 52.54 1yaj s LEU 514 Cb 0.00 -0.49 -0.03 0.00 0.03 0.00 0.00 46.19 45.70 1yaj s LEU 514 CO 0.00 0.02 -0.39 -2.65 0.23 0.00 0.00 176.35 173.57 1yaj n PRO 515 N 2.16 -0.60 -3.14 1.29 -0.02 -1.26 -4.67 135.00 128.76 1yaj n PRO 515 Ca -0.17 -0.16 -0.39 0.00 -2.02 0.00 0.00 63.50 60.76 1yaj n PRO 515 Cb 0.55 -1.45 -0.05 0.00 -0.02 0.00 0.00 33.50 32.53 1yaj n PRO 515 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1yaj s HIS 516 N -2.18 3.60 -0.38 6.00 2.46 -1.26 -4.74 115.29 118.79 1yaj s HIS 516 Ca 0.49 1.17 -0.05 0.00 0.47 0.00 0.00 55.06 57.13 1yaj s HIS 516 Cb -0.11 -2.70 0.08 0.00 -0.13 0.00 0.00 32.58 29.73 1yaj s HIS 516 CO 0.70 0.18 0.17 -0.46 -2.47 0.00 0.00 174.74 172.86 1yaj s TRP 517 N 0.46 3.40 0.14 3.88 -0.11 -1.26 -4.66 118.94 120.78 1yaj s TRP 517 Ca 0.33 -1.88 -0.31 0.00 1.22 0.00 0.00 56.10 55.46 1yaj s TRP 517 Cb -0.17 -2.79 -0.09 0.00 -1.50 0.00 0.00 33.47 28.91 1yaj s TRP 517 CO 0.16 -0.87 1.47 -1.25 -4.62 0.00 0.00 176.95 171.85 1yaj s PRO 518 N 1.29 4.27 0.28 5.86 0.04 -1.26 -4.79 135.00 140.70 1yaj s PRO 518 Ca 0.02 2.21 -0.30 0.00 0.04 0.00 0.00 61.00 62.98 1yaj s PRO 518 Cb -0.22 -3.21 -0.11 0.00 0.04 0.00 0.00 34.50 31.00 1yaj s PRO 518 CO -0.01 -0.52 1.53 -2.00 0.04 0.00 0.00 177.00 176.05 1yaj s GLU 519 N 1.14 4.17 -0.93 4.56 2.12 -1.26 -4.45 118.70 124.05 1yaj s GLU 519 Ca 0.67 2.48 -0.24 0.00 0.36 0.00 0.00 54.97 58.24 1yaj s GLU 519 Cb -0.40 -3.05 -0.05 0.00 0.26 0.00 0.00 34.13 30.89 1yaj s GLU 519 CO 0.31 -0.55 1.93 -0.47 -0.54 0.00 0.00 175.26 175.94 1yaj s TYR 520 N -0.10 1.85 0.00 5.30 5.04 0.14 -4.15 117.35 125.43 1yaj s TYR 520 Ca 0.61 0.55 0.00 0.00 -2.44 0.00 0.00 57.07 55.79 1yaj s TYR 520 Cb -0.46 -4.07 0.00 0.00 0.35 0.00 0.00 41.96 37.79 1yaj s TYR 520 CO 0.47 -1.71 0.00 0.27 -1.34 0.00 0.00 175.55 173.25 1yaj n ASN 521 N 13.80 0.81 0.29 4.32 0.23 -1.26 -4.43 115.26 129.01 1yaj n ASN 521 Ca 0.40 0.00 0.18 0.00 -0.53 0.00 0.00 54.58 54.64 1yaj n ASN 521 Cb 0.47 0.00 0.98 0.00 -2.08 0.00 0.00 39.78 39.15 1yaj n ASN 521 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1yaj h GLN 522 N 0.00 0.00 0.00 -3.83 1.08 -2.00 0.41 115.11 110.76 1yaj h GLN 522 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1yaj h GLN 522 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1yaj h GLN 522 CO 0.00 0.00 0.00 0.87 -0.95 0.00 0.00 178.83 178.75 1yaj h LYS 523 N 0.00 0.00 -4.71 1.46 6.56 -1.93 -3.48 116.57 114.47 1yaj h LYS 523 Ca 0.03 0.00 -0.22 0.00 -1.06 0.00 0.00 60.65 59.40 1yaj h LYS 523 Cb 0.26 0.00 0.13 0.00 -0.57 0.00 0.00 32.23 32.05 1yaj h LYS 523 CO -0.00 0.00 -0.59 0.39 -2.06 0.00 0.00 179.45 177.19 1yaj n GLU 524 N -2.63 -3.71 -2.70 3.15 1.02 0.14 -3.79 120.64 112.12 1yaj n GLU 524 Ca 0.05 0.63 -0.43 0.00 -0.02 0.00 0.00 57.16 57.38 1yaj n GLU 524 Cb 0.46 -4.86 -0.03 0.00 -0.02 0.00 0.00 31.44 26.99 1yaj n GLU 524 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1yaj s GLY 525 N -3.74 1.58 0.17 0.62 0.00 -1.26 -2.32 107.32 102.37 1yaj s GLY 525 Ca 0.12 -0.15 0.09 0.00 0.00 0.00 0.00 44.72 44.77 1yaj s GLY 525 CO 0.54 2.16 -0.19 -2.52 0.00 0.00 0.00 173.10 173.09 1yaj s TYR 526 N 3.52 1.86 -0.14 1.90 -0.85 -1.13 -3.53 117.35 118.99 1yaj s TYR 526 Ca 0.43 -0.46 -0.08 0.00 -0.52 0.00 0.00 57.07 56.44 1yaj s TYR 526 Cb -0.12 -0.92 -0.04 0.00 0.38 0.00 0.00 41.96 41.25 1yaj s TYR 526 CO 0.15 0.35 0.13 -1.17 -1.52 0.00 0.00 175.55 173.50 1yaj s LEU 527 N -2.71 4.33 -0.51 -3.49 2.96 -0.71 -1.57 118.68 116.98 1yaj s LEU 527 Ca 0.17 0.40 -0.14 0.00 -0.22 0.00 0.00 54.13 54.34 1yaj s LEU 527 Cb -0.06 -2.07 0.12 0.00 0.50 0.00 0.00 46.19 44.68 1yaj s LEU 527 CO 0.07 0.35 0.44 -1.10 -1.32 0.00 0.00 176.35 174.79 1yaj s GLN 528 N -0.68 2.85 0.20 1.98 -0.21 -0.33 -0.97 119.66 122.49 1yaj s GLN 528 Ca 0.13 -1.67 -0.24 0.00 0.02 0.00 0.00 55.36 53.60 1yaj s GLN 528 Cb -0.12 -4.17 -0.08 0.00 1.00 0.00 0.00 33.01 29.64 1yaj s GLN 528 CO 0.02 -1.25 0.78 0.42 -2.12 0.00 0.00 175.29 173.14 1yaj s ILE 529 N 1.54 4.41 -3.53 1.08 1.01 -1.09 -3.12 121.20 121.50 1yaj s ILE 529 Ca 0.04 1.59 0.00 0.00 0.00 0.00 0.00 60.65 62.27 1yaj s ILE 529 Cb -0.28 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.15 1yaj s ILE 529 CO 0.02 0.39 0.00 0.61 0.00 0.00 0.00 174.94 175.97 1yaj n GLY 530 N 1.23 -0.58 0.04 6.18 0.00 -1.26 -0.03 105.19 110.76 1yaj n GLY 530 Ca -0.04 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.21 1yaj n GLY 530 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj h ALA 531 N 0.00 -0.00 -3.19 4.61 0.00 -1.93 -3.37 119.26 115.38 1yaj h ALA 531 Ca 0.00 -0.03 -0.67 0.00 0.00 0.00 0.00 54.91 54.21 1yaj h ALA 531 Cb 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 17.48 1yaj h ALA 531 CO 0.00 -0.48 -0.73 -0.80 0.00 0.00 0.00 179.25 177.24 1yaj s ASN 532 N -5.24 4.34 -0.32 0.00 0.01 -1.26 -5.06 114.94 107.40 1yaj s ASN 532 Ca -0.13 -0.76 -0.12 0.00 -0.71 0.00 0.00 52.86 51.14 1yaj s ASN 532 Cb 0.06 -1.69 -0.02 0.00 0.41 0.00 0.00 41.25 40.00 1yaj s ASN 532 CO 0.66 -0.11 0.21 -0.89 -1.51 0.00 0.00 177.10 175.46 1yaj s THR 533 N 1.37 5.15 0.26 1.60 2.01 -1.26 -4.80 115.64 119.95 1yaj s THR 533 Ca 0.02 -0.19 -0.05 0.00 0.31 0.00 0.00 61.69 61.78 1yaj s THR 533 Cb -0.16 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.73 1yaj s THR 533 CO -0.04 0.06 0.34 0.00 -0.69 0.00 0.00 174.62 174.29 1yaj s GLN 534 N 1.71 1.52 0.49 4.92 0.00 -1.18 -4.92 119.66 122.19 1yaj s GLN 534 Ca 0.06 -1.54 0.07 0.00 -0.00 0.00 0.00 55.36 53.95 1yaj s GLN 534 Cb -0.17 0.38 0.04 0.00 0.00 0.00 0.00 33.01 33.26 1yaj s GLN 534 CO 0.10 -0.59 0.67 0.00 0.00 0.00 0.00 175.29 175.48 1yaj s ALA 535 N -3.83 4.44 0.00 2.60 0.00 -1.26 -1.19 121.76 122.52 1yaj s ALA 535 Ca 0.31 -1.74 0.00 0.00 0.00 0.00 0.00 51.96 50.53 1yaj s ALA 535 Cb 0.02 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.47 1yaj s ALA 535 CO 0.14 -0.55 0.00 0.00 0.00 0.00 0.00 175.76 175.35 1yaj n ALA 536 N -2.07 0.00 -2.87 0.00 0.00 -0.61 -4.89 120.51 110.08 1yaj n ALA 536 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.45 1yaj n ALA 536 Cb 0.60 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.99 1yaj n ALA 536 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1yaj s GLN 537 N 0.36 1.07 -1.19 0.00 -0.21 -1.26 -2.85 119.66 115.57 1yaj s GLN 537 Ca 0.00 -0.89 -0.14 0.00 0.02 0.00 0.00 55.36 54.35 1yaj s GLN 537 Cb 0.00 0.42 -0.01 0.00 1.00 0.00 0.00 33.01 34.42 1yaj s GLN 537 CO 0.00 -0.40 0.75 1.63 -2.12 0.00 0.00 175.29 175.14 1yaj n LYS 538 N -0.19 -2.10 -1.82 2.91 5.02 -0.98 -4.88 118.16 116.11 1yaj n LYS 538 Ca -0.13 0.51 -0.42 0.00 -2.02 0.00 0.00 58.31 56.25 1yaj n LYS 538 Cb 0.63 -4.49 -0.02 0.00 -0.02 0.00 0.00 35.03 31.13 1yaj n LYS 538 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1yaj s LEU 539 N -6.46 4.36 -1.72 -0.35 2.96 -1.26 -2.51 118.68 113.70 1yaj s LEU 539 Ca 0.35 2.83 -0.15 0.00 -0.22 0.00 0.00 54.13 56.94 1yaj s LEU 539 Cb -0.11 -3.62 0.15 0.00 0.50 0.00 0.00 46.19 43.10 1yaj s LEU 539 CO 0.85 -0.88 0.51 0.29 -1.32 0.00 0.00 176.35 175.79 1yaj n LYS 540 N 3.00 -1.67 0.17 1.98 4.76 -1.26 -4.87 118.16 120.27 1yaj n LYS 540 Ca 0.11 0.22 -0.07 0.00 -2.87 0.00 0.00 58.31 55.70 1yaj n LYS 540 Cb 0.37 -4.57 -0.03 0.00 -1.84 0.00 0.00 35.03 28.96 1yaj n LYS 540 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1yaj h ASP 541 N -1.32 -0.39 -0.62 4.39 1.82 -1.86 -2.39 116.42 116.03 1yaj h ASP 541 Ca -0.61 0.01 0.13 0.00 -0.39 0.00 0.00 57.03 56.17 1yaj h ASP 541 Cb 1.39 0.10 -0.10 0.00 0.68 0.00 0.00 39.33 41.40 1yaj h ASP 541 CO 0.80 -0.14 0.06 0.11 -1.61 0.00 0.00 179.24 178.46 1yaj h LYS 542 N -0.74 0.17 0.36 0.28 1.57 -1.89 -2.10 116.57 114.21 1yaj h LYS 542 Ca -0.05 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1yaj h LYS 542 Cb 0.36 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 1yaj h LYS 542 CO 0.08 0.12 -0.46 0.93 -0.57 0.00 0.00 179.45 179.55 1yaj h GLU 543 N 0.18 -0.82 -0.76 3.15 3.07 -1.95 -1.19 114.58 116.26 1yaj h GLU 543 Ca 0.33 0.06 0.15 0.00 -0.50 0.00 0.00 59.36 59.40 1yaj h GLU 543 Cb 0.53 0.19 -0.10 0.00 -0.84 0.00 0.00 28.75 28.53 1yaj h GLU 543 CO -0.48 -0.55 0.28 0.28 -1.40 0.00 0.00 179.01 177.14 1yaj h VAL 544 N -0.85 0.62 0.00 3.13 2.07 -1.13 -2.16 116.25 117.93 1yaj h VAL 544 Ca -0.03 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1yaj h VAL 544 Cb 0.78 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1yaj h VAL 544 CO -0.12 0.07 0.00 0.00 0.02 0.00 0.00 177.57 177.54 1yaj n ALA 545 N -2.54 -0.28 -0.34 1.67 0.00 -0.79 -1.17 120.51 117.06 1yaj n ALA 545 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.69 1yaj n ALA 545 Cb 0.44 0.21 0.22 0.00 0.00 0.00 0.00 19.45 20.32 1yaj n ALA 545 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1yaj h PHE 546 N 0.00 -0.24 -0.39 0.00 3.57 -0.86 -0.31 116.94 118.71 1yaj h PHE 546 Ca 0.00 0.08 -0.15 0.00 3.53 0.00 0.00 57.97 61.42 1yaj h PHE 546 Cb 0.00 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1yaj h PHE 546 CO -0.26 -0.42 -0.36 -1.49 -2.23 0.00 0.00 178.31 173.56 1yaj h TRP 547 N 0.01 1.11 -0.30 0.41 4.06 -1.28 0.13 115.95 120.09 1yaj h TRP 547 Ca 0.54 -0.32 -0.07 0.00 2.06 0.00 0.00 58.89 61.10 1yaj h TRP 547 Cb 1.00 -0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 28.91 1yaj h TRP 547 CO -0.60 1.14 -0.11 1.15 -3.56 0.00 0.00 178.44 176.47 1yaj h THR 548 N 0.77 1.23 -0.05 1.49 2.02 0.41 -1.03 112.91 117.75 1yaj h THR 548 Ca 0.07 -0.99 -0.19 0.00 0.77 0.00 0.00 66.41 66.07 1yaj h THR 548 Cb 0.95 1.12 -0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1yaj h THR 548 CO 0.09 0.32 -0.78 0.78 0.37 0.00 0.00 175.52 176.30 1yaj h ASN 549 N 0.46 0.45 -0.02 4.18 2.35 -0.95 -3.21 115.58 118.84 1yaj h ASN 549 Ca 0.09 -0.31 -0.00 0.00 -0.55 0.00 0.00 56.30 55.52 1yaj h ASN 549 Cb 0.47 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 1yaj h ASN 549 CO 0.03 1.07 -0.00 0.25 -1.65 0.00 0.00 177.43 177.12 1yaj h LEU 550 N 0.24 0.03 0.00 1.61 5.85 -0.42 -2.96 115.31 119.65 1yaj h LEU 550 Ca -0.04 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1yaj h LEU 550 Cb 1.37 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.39 1yaj h LEU 550 CO 0.13 0.37 0.00 0.49 -0.34 0.00 0.00 178.44 179.09 1yaj n PHE 551 N -4.90 0.00 -0.27 1.25 3.01 -0.42 -3.11 117.46 113.02 1yaj n PHE 551 Ca -0.08 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.32 1yaj n PHE 551 Cb 0.19 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.72 1yaj n PHE 551 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1yaj h ALA 552 N 2.04 0.98 0.00 4.37 0.00 -1.52 -3.50 119.26 121.62 1yaj h ALA 552 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1yaj h ALA 552 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1yaj h ALA 552 CO 0.00 0.61 0.00 1.17 0.00 0.00 0.00 179.25 181.03