#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yaj s SER 22 N 0.00 3.32 0.41 4.04 0.15 -1.26 -5.11 113.70 115.25 1yaj s SER 22 Ca 0.00 -0.46 -0.22 0.00 0.70 0.00 0.00 55.95 55.97 1yaj s SER 22 Cb 0.00 -1.07 -0.13 0.00 -1.71 0.00 0.00 66.02 63.10 1yaj s SER 22 CO 0.00 0.23 0.46 -2.65 1.20 0.00 0.00 173.24 172.48 1yaj n PRO 23 N 3.08 0.45 -1.69 5.44 -0.02 -1.26 -4.84 135.00 136.16 1yaj n PRO 23 Ca -0.18 0.16 -0.42 0.00 -2.02 0.00 0.00 63.50 61.04 1yaj n PRO 23 Cb 0.52 -1.39 -0.03 0.00 -0.02 0.00 0.00 33.50 32.58 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 -1.44 3.79 -0.14 0.52 0.02 -1.23 -4.82 135.00 131.69 1yaj s PRO 24 Ca 0.62 2.35 0.02 0.00 0.02 0.00 0.00 61.00 64.02 1yaj s PRO 24 Cb -0.63 -4.22 0.01 0.00 0.02 0.00 0.00 34.50 29.68 1yaj s PRO 24 CO 0.59 -1.35 -0.21 0.08 -0.33 0.00 0.00 177.00 175.77 1yaj s VAL 25 N 5.77 2.12 0.04 3.83 1.01 -1.26 -0.16 120.40 131.74 1yaj s VAL 25 Ca 0.91 -0.96 0.06 0.00 0.00 0.00 0.00 61.98 61.99 1yaj s VAL 25 Cb -0.38 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 1yaj s VAL 25 CO 0.38 0.55 -0.16 -0.69 0.00 0.00 0.00 175.10 175.18 1yaj s VAL 26 N 0.83 1.28 -0.21 2.92 1.01 -0.04 -4.97 120.40 121.22 1yaj s VAL 26 Ca -0.07 -1.07 -0.05 0.00 0.00 0.00 0.00 61.98 60.80 1yaj s VAL 26 Cb -0.15 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 1yaj s VAL 26 CO -0.02 0.06 -0.01 -0.62 0.00 0.00 0.00 175.10 174.51 1yaj s ASP 27 N -1.17 4.69 0.42 3.32 -1.08 -1.26 0.10 116.67 121.69 1yaj s ASP 27 Ca 0.03 -0.25 0.02 0.00 -0.52 0.00 0.00 52.55 51.83 1yaj s ASP 27 Cb -0.08 -1.80 0.02 0.00 -1.46 0.00 0.00 42.92 39.60 1yaj s ASP 27 CO 0.01 0.04 0.16 0.35 0.52 0.00 0.00 175.17 176.26 1yaj n THR 28 N 4.39 0.00 -0.19 1.71 -2.24 -0.78 -4.88 114.28 112.29 1yaj n THR 28 Ca -0.17 -1.81 0.09 0.00 -2.27 0.00 0.00 64.05 59.89 1yaj n THR 28 Cb 0.52 0.13 0.39 0.00 -2.10 0.00 0.00 70.33 69.27 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 0.92 0.93 0.00 2.28 2.07 -1.95 -2.60 116.25 117.90 1yaj h VAL 29 Ca -0.31 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1yaj h VAL 29 Cb 1.01 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1yaj h VAL 29 CO 0.49 0.12 -0.92 1.41 0.02 0.00 0.00 177.57 178.69 1yaj n HIS 30 N -4.50 0.17 0.00 1.57 8.25 -1.26 -5.04 115.22 114.41 1yaj n HIS 30 Ca 0.13 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 1yaj n HIS 30 Cb 0.34 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 31.12 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 1.42 2.08 3.72 -1.41 0.00 -0.98 -2.16 105.19 107.84 1yaj n GLY 31 Ca 0.03 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.87 4.55 -0.02 1.61 1.02 -1.23 -1.87 119.74 121.93 1yaj s LYS 32 Ca 0.00 1.56 0.05 0.00 0.02 0.00 0.00 55.97 57.60 1yaj s LYS 32 Cb 0.00 -3.40 -0.03 0.00 -0.52 0.00 0.00 37.83 33.89 1yaj s LYS 32 CO 0.00 -0.05 -0.18 0.54 -0.92 0.00 0.00 175.35 174.74 1yaj s VAL 33 N 0.73 2.79 0.06 3.17 0.11 0.29 -0.02 120.40 127.53 1yaj s VAL 33 Ca 0.53 -0.93 0.02 0.00 -2.93 0.00 0.00 61.98 58.66 1yaj s VAL 33 Cb -0.25 -2.10 -0.04 0.00 -1.53 0.00 0.00 36.38 32.46 1yaj s VAL 33 CO 0.29 0.51 0.08 -0.22 -3.33 0.00 0.00 175.10 172.44 1yaj s LEU 34 N -0.93 3.83 0.00 2.54 1.98 -0.01 -0.86 118.68 125.24 1yaj s LEU 34 Ca 0.12 0.04 0.00 0.00 -2.89 0.00 0.00 54.13 51.40 1yaj s LEU 34 Cb -0.10 -2.43 0.00 0.00 0.66 0.00 0.00 46.19 44.31 1yaj s LEU 34 CO 0.02 0.20 0.00 0.61 -1.89 0.00 0.00 176.35 175.29 1yaj n GLY 35 N 0.66 3.87 3.08 7.98 0.00 0.77 -1.52 105.19 120.02 1yaj n GLY 35 Ca -0.10 -1.58 -0.17 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.86 0.70 0.20 1.61 -2.85 -1.04 -3.54 119.74 112.95 1yaj s LYS 36 Ca 0.00 -0.62 -0.19 0.00 -1.00 0.00 0.00 55.97 54.16 1yaj s LYS 36 Cb 0.00 -0.64 -0.08 0.00 -2.06 0.00 0.00 37.83 35.05 1yaj s LYS 36 CO 0.00 0.15 0.68 -0.06 0.10 0.00 0.00 175.35 176.23 1yaj s PHE 37 N -0.83 3.65 -0.04 1.78 2.99 -1.26 -1.89 117.98 122.38 1yaj s PHE 37 Ca -0.02 1.32 -0.04 0.00 0.00 0.00 0.00 56.93 58.19 1yaj s PHE 37 Cb -0.07 -2.56 0.01 0.00 0.00 0.00 0.00 43.02 40.40 1yaj s PHE 37 CO 0.01 0.37 0.12 0.08 -0.00 0.00 0.00 175.22 175.79 1yaj s VAL 38 N -1.49 0.01 -0.02 -0.44 1.01 -0.31 -4.96 120.40 114.20 1yaj s VAL 38 Ca 0.41 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.35 1yaj s VAL 38 Cb -0.16 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 1yaj s VAL 38 CO 0.21 -0.04 -0.07 -0.44 0.00 0.00 0.00 175.10 174.75 1yaj s SER 39 N -0.07 4.59 -0.18 3.32 0.01 -1.26 -0.32 113.70 119.79 1yaj s SER 39 Ca -0.01 -0.12 -0.01 0.00 1.31 0.00 0.00 55.95 57.12 1yaj s SER 39 Cb -0.02 -1.08 0.00 0.00 0.21 0.00 0.00 66.02 65.14 1yaj s SER 39 CO 0.00 0.31 -0.14 -0.22 0.41 0.00 0.00 173.24 173.60 1yaj s LEU 40 N -1.23 2.48 -0.29 2.44 2.96 -1.26 -5.00 118.68 118.79 1yaj s LEU 40 Ca 0.16 -0.50 -0.25 0.00 -0.22 0.00 0.00 54.13 53.31 1yaj s LEU 40 Cb -0.11 -1.58 -0.11 0.00 0.50 0.00 0.00 46.19 44.89 1yaj s LEU 40 CO 0.06 0.04 1.18 1.21 -1.32 0.00 0.00 176.35 177.51 1yaj n GLU 41 N 4.37 0.00 0.00 1.98 4.07 -1.26 -1.64 120.64 128.16 1yaj n GLU 41 Ca -0.19 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.91 1yaj n GLU 41 Cb 0.51 -0.86 0.00 0.00 -0.06 0.00 0.00 31.44 31.03 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 3.98 1.00 2.69 8.31 0.00 -1.26 -5.08 105.19 114.83 1yaj n GLY 42 Ca 0.29 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.00 0.39 0.14 1.61 0.40 -0.65 -5.04 117.98 112.83 1yaj s PHE 43 Ca 0.00 -0.14 -0.17 0.00 -0.60 0.00 0.00 56.93 56.02 1yaj s PHE 43 Cb 0.00 -0.69 -0.02 0.00 0.51 0.00 0.00 43.02 42.82 1yaj s PHE 43 CO 0.00 -0.36 1.80 0.00 0.70 0.00 0.00 175.22 177.37 1yaj h ALA 44 N 8.38 0.42 -1.32 5.36 0.00 -1.98 -3.40 119.26 126.72 1yaj h ALA 44 Ca -0.15 -0.02 -0.55 0.00 0.00 0.00 0.00 54.91 54.18 1yaj h ALA 44 Cb 1.13 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.70 1yaj h ALA 44 CO 0.24 -0.12 1.14 -1.14 0.00 0.00 0.00 179.25 179.37 1yaj s GLN 45 N -6.16 3.27 0.35 0.00 2.00 -1.26 -4.99 119.66 112.86 1yaj s GLN 45 Ca -0.13 -0.42 -0.28 0.00 -2.00 0.00 0.00 55.36 52.53 1yaj s GLN 45 Cb 0.10 -4.40 -0.12 0.00 0.80 0.00 0.00 33.01 29.39 1yaj s GLN 45 CO 0.71 -2.16 1.36 -0.35 -0.50 0.00 0.00 175.29 174.35 1yaj n PRO 46 N 9.26 2.31 -2.75 1.67 -0.04 -1.26 -4.93 135.00 139.27 1yaj n PRO 46 Ca 0.09 0.81 -0.35 0.00 -0.04 0.00 0.00 63.50 64.01 1yaj n PRO 46 Cb 0.49 -2.44 -0.06 0.00 -0.04 0.00 0.00 33.50 31.45 1yaj n PRO 46 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1yaj s VAL 47 N -1.09 4.19 -0.26 0.52 1.01 0.56 -4.78 120.40 120.55 1yaj s VAL 47 Ca 0.55 1.53 -0.11 0.00 0.00 0.00 0.00 61.98 63.95 1yaj s VAL 47 Cb -0.54 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 1yaj s VAL 47 CO 0.63 -0.13 0.19 0.00 0.00 0.00 0.00 175.10 175.78 1yaj s ALA 48 N -1.93 3.56 -0.18 5.51 0.00 -0.70 -1.16 121.76 126.86 1yaj s ALA 48 Ca 0.58 -0.99 -0.06 0.00 0.00 0.00 0.00 51.96 51.49 1yaj s ALA 48 Cb -0.14 -2.42 -0.03 0.00 0.00 0.00 0.00 23.12 20.52 1yaj s ALA 48 CO 0.19 -0.40 0.03 0.42 0.00 0.00 0.00 175.76 175.99 1yaj s ILE 49 N 1.48 4.39 -0.19 0.00 1.01 -0.79 -2.18 121.20 124.91 1yaj s ILE 49 Ca 0.08 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.56 1yaj s ILE 49 Cb -0.15 -2.97 0.03 0.00 0.01 0.00 0.00 42.46 39.37 1yaj s ILE 49 CO 0.08 0.45 -0.19 -0.36 0.00 0.00 0.00 174.94 174.93 1yaj s PHE 50 N 0.59 2.85 -0.08 3.97 0.40 -0.08 -2.51 117.98 123.11 1yaj s PHE 50 Ca 0.01 -1.74 0.02 0.00 -0.60 0.00 0.00 56.93 54.63 1yaj s PHE 50 Cb -0.13 -1.92 -0.02 0.00 0.51 0.00 0.00 43.02 41.45 1yaj s PHE 50 CO 0.02 -0.82 -0.15 -0.51 0.70 0.00 0.00 175.22 174.46 1yaj s LEU 51 N 1.27 2.67 -0.15 -0.37 1.43 -0.85 -0.58 118.68 122.09 1yaj s LEU 51 Ca 0.03 -0.28 -0.00 0.00 -1.03 0.00 0.00 54.13 52.85 1yaj s LEU 51 Cb -0.14 -1.56 -0.00 0.00 0.03 0.00 0.00 46.19 44.52 1yaj s LEU 51 CO -0.12 0.26 0.13 0.61 0.23 0.00 0.00 176.35 177.46 1yaj n GLY 52 N 2.88 0.35 3.59 -3.19 0.00 -1.19 -3.46 105.19 104.17 1yaj n GLY 52 Ca -0.18 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 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 -3.05 5.15 -0.16 -0.61 1.01 -0.71 -4.85 121.20 117.99 1yaj s ILE 53 Ca 0.00 0.49 -0.29 0.00 0.00 0.00 0.00 60.65 60.85 1yaj s ILE 53 Cb -0.00 -3.75 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 1yaj s ILE 53 CO 0.09 0.08 1.50 -2.16 0.00 0.00 0.00 174.94 174.46 1yaj s PRO 54 N 2.11 4.04 0.00 2.79 0.04 -1.26 -1.17 135.00 141.55 1yaj s PRO 54 Ca 0.15 1.79 0.24 0.00 0.04 0.00 0.00 61.00 63.22 1yaj s PRO 54 Cb -0.16 -3.93 0.21 0.00 0.04 0.00 0.00 34.50 30.66 1yaj s PRO 54 CO 0.10 -0.98 1.27 1.97 0.04 0.00 0.00 177.00 179.40 1yaj n PHE 55 N 7.48 0.00 -3.60 0.56 1.16 -1.17 -4.87 117.46 117.02 1yaj n PHE 55 Ca 0.17 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.64 1yaj n PHE 55 Cb 0.44 -0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.28 1yaj n PHE 55 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1yaj s ALA 56 N -2.01 -1.18 0.09 1.98 0.00 -1.26 -4.46 121.76 114.93 1yaj s ALA 56 Ca 0.28 0.07 -0.30 0.00 0.00 0.00 0.00 51.96 52.01 1yaj s ALA 56 Cb 0.20 0.82 -0.06 0.00 0.00 0.00 0.00 23.12 24.08 1yaj s ALA 56 CO 0.31 -0.76 1.21 0.21 0.00 0.00 0.00 175.76 176.73 1yaj s LYS 57 N -3.81 4.44 -0.36 0.00 2.20 -0.37 -4.56 119.74 117.28 1yaj s LYS 57 Ca 0.05 1.82 -0.39 0.00 -0.36 0.00 0.00 55.97 57.09 1yaj s LYS 57 Cb -0.00 -3.31 -0.14 0.00 -1.51 0.00 0.00 37.83 32.86 1yaj s LYS 57 CO -0.09 -0.23 2.03 -2.30 -0.36 0.00 0.00 175.35 174.41 1yaj n PRO 58 N 3.59 0.89 -1.05 4.03 -0.02 -1.26 -4.64 135.00 136.55 1yaj n PRO 58 Ca 0.08 0.28 -0.32 0.00 -2.02 0.00 0.00 63.50 61.52 1yaj n PRO 58 Cb 0.46 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 1yaj n PRO 58 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1yaj n PRO 59 N 7.14 2.32 -4.02 0.52 -0.04 -1.26 -4.87 135.00 134.79 1yaj n PRO 59 Ca 0.39 -1.81 -0.21 0.00 -0.04 0.00 0.00 63.50 61.83 1yaj n PRO 59 Cb 0.14 -2.72 -0.03 0.00 -0.04 0.00 0.00 33.50 30.86 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 0.60 4.09 0.00 1.53 1.43 -1.26 -4.29 118.68 120.78 1yaj s LEU 60 Ca 0.50 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 1yaj s LEU 60 Cb 0.13 -2.63 0.00 0.00 0.03 0.00 0.00 46.19 43.72 1yaj s LEU 60 CO -0.01 -0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.12 1yaj n GLY 61 N -1.31 3.07 0.16 -3.19 0.00 -1.26 -1.60 105.19 101.05 1yaj n GLY 61 Ca -0.08 -0.33 0.10 0.00 0.00 0.00 0.00 46.02 45.71 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 13.98 0.13 0.00 1.61 -0.04 -1.26 -1.54 135.00 147.87 1yaj n PRO 62 Ca 0.00 0.62 0.00 0.00 -0.04 0.00 0.00 63.50 64.08 1yaj n PRO 62 Cb 0.00 -1.97 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 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 -2.21 0.19 -4.86 1.53 4.77 -0.63 -4.81 117.00 110.98 1yaj n LEU 63 Ca -0.01 -0.10 -0.31 0.00 -0.03 0.00 0.00 56.01 55.56 1yaj n LEU 63 Cb 0.08 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 1yaj n LEU 63 CO 0.09 0.05 0.63 -0.60 -1.33 0.00 0.00 177.39 176.23 1yaj s ARG 64 N -1.77 3.76 -1.52 3.23 3.52 -0.59 -3.92 118.95 121.64 1yaj s ARG 64 Ca 0.00 0.73 -0.04 0.00 -0.13 0.00 0.00 55.73 56.29 1yaj s ARG 64 Cb 0.00 -2.18 0.03 0.00 -1.56 0.00 0.00 34.95 31.24 1yaj s ARG 64 CO 0.00 -0.33 0.32 1.19 -0.81 0.00 0.00 175.30 175.66 1yaj n PHE 65 N -2.02 -1.49 -3.63 5.12 3.72 -1.26 -4.94 117.46 112.97 1yaj n PHE 65 Ca 0.05 0.70 -0.13 0.00 -0.05 0.00 0.00 57.45 58.02 1yaj n PHE 65 Cb 0.54 -3.19 -0.06 0.00 -0.94 0.00 0.00 39.48 35.84 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 -4.00 0.05 0.27 4.37 -4.23 -1.25 -4.83 115.64 106.02 1yaj s THR 66 Ca 0.14 -0.40 -0.29 0.00 -1.18 0.00 0.00 61.69 59.96 1yaj s THR 66 Cb -0.08 -0.99 -0.14 0.00 1.34 0.00 0.00 72.50 72.63 1yaj s THR 66 CO 0.94 -0.22 1.07 -2.65 -0.54 0.00 0.00 174.62 173.22 1yaj n PRO 67 N 0.36 1.39 -1.88 3.99 -0.02 -1.26 -4.88 135.00 132.69 1yaj n PRO 67 Ca -0.18 0.49 -0.42 0.00 -2.02 0.00 0.00 63.50 61.37 1yaj n PRO 67 Cb 0.61 -1.90 -0.03 0.00 -0.02 0.00 0.00 33.50 32.15 1yaj n PRO 67 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1yaj s PRO 68 N -1.32 4.19 0.11 0.52 0.04 -1.26 -5.01 135.00 132.27 1yaj s PRO 68 Ca 0.61 2.41 0.00 0.00 0.04 0.00 0.00 61.00 64.06 1yaj s PRO 68 Cb -0.72 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 30.47 1yaj s PRO 68 CO 0.58 -0.69 0.27 -0.65 0.04 0.00 0.00 177.00 176.56 1yaj s GLN 69 N 1.74 3.47 0.40 4.56 -0.21 -1.26 -4.99 119.66 123.37 1yaj s GLN 69 Ca 0.73 -0.44 -0.25 0.00 0.02 0.00 0.00 55.36 55.42 1yaj s GLN 69 Cb -0.44 -2.97 -0.11 0.00 1.00 0.00 0.00 33.01 30.49 1yaj s GLN 69 CO 0.32 0.54 1.05 -2.30 -2.12 0.00 0.00 175.29 172.78 1yaj n PRO 70 N -0.10 1.45 -2.36 2.91 -0.02 -1.26 -1.24 135.00 134.38 1yaj n PRO 70 Ca -0.05 0.52 -0.35 0.00 -2.02 0.00 0.00 63.50 61.60 1yaj n PRO 70 Cb 0.52 -2.06 -0.01 0.00 -0.02 0.00 0.00 33.50 31.93 1yaj n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yaj s ALA 71 N -1.23 2.77 0.25 3.55 0.00 -1.26 -3.99 121.76 121.86 1yaj s ALA 71 Ca 0.62 0.76 -0.30 0.00 0.00 0.00 0.00 51.96 53.04 1yaj s ALA 71 Cb -0.57 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.13 1yaj s ALA 71 CO 0.58 -0.60 1.16 -1.21 0.00 0.00 0.00 175.76 175.68 1yaj s GLU 72 N -3.23 4.56 0.28 0.00 0.41 -1.26 -4.88 118.70 114.57 1yaj s GLU 72 Ca 0.70 1.88 -0.29 0.00 -0.41 0.00 0.00 54.97 56.86 1yaj s GLU 72 Cb -0.22 -3.19 -0.09 0.00 -1.78 0.00 0.00 34.13 28.85 1yaj s GLU 72 CO 0.25 0.06 0.99 -1.25 -0.49 0.00 0.00 175.26 174.82 1yaj s PRO 73 N -1.09 4.70 -0.02 0.39 0.04 -1.26 -5.04 135.00 132.72 1yaj s PRO 73 Ca 0.48 1.55 -0.07 0.00 0.04 0.00 0.00 61.00 63.00 1yaj s PRO 73 Cb -0.33 -3.12 -0.05 0.00 0.04 0.00 0.00 34.50 31.05 1yaj s PRO 73 CO 0.41 0.34 0.24 1.67 0.04 0.00 0.00 177.00 179.70 1yaj s TRP 74 N -1.29 3.59 -0.90 0.56 -2.14 -0.92 -5.01 118.94 112.83 1yaj s TRP 74 Ca 0.45 0.56 0.05 0.00 2.66 0.00 0.00 56.10 59.82 1yaj s TRP 74 Cb -0.26 -1.98 0.28 0.00 -3.10 0.00 0.00 33.47 28.41 1yaj s TRP 74 CO 0.33 0.65 0.96 0.43 -2.66 0.00 0.00 176.95 176.66 1yaj n SER 75 N 1.33 2.48 0.00 -2.66 7.64 -1.26 -4.62 113.62 116.52 1yaj n SER 75 Ca -0.13 -2.28 0.00 0.00 1.01 0.00 0.00 58.87 57.47 1yaj n SER 75 Cb 0.53 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1yaj n SER 75 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1yaj n PHE 76 N 0.22 0.00 -3.97 1.43 3.01 -1.26 -5.10 117.46 111.79 1yaj n PHE 76 Ca 0.09 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.21 1yaj n PHE 76 Cb 0.53 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.86 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 2.05 2.73 -0.59 -4.37 1.01 -1.26 -3.53 120.40 116.44 1yaj s VAL 77 Ca 0.00 -1.35 -0.25 0.00 0.00 0.00 0.00 61.98 60.38 1yaj s VAL 77 Cb 0.00 -2.52 0.04 0.00 0.00 0.00 0.00 36.38 33.90 1yaj s VAL 77 CO 0.00 0.01 1.02 -0.75 0.00 0.00 0.00 175.10 175.38 1yaj s LYS 78 N 1.23 3.33 -0.80 2.72 2.47 0.97 -4.90 119.74 124.77 1yaj s LYS 78 Ca -0.05 -0.22 -0.25 0.00 -1.56 0.00 0.00 55.97 53.89 1yaj s LYS 78 Cb -0.19 -4.08 -0.08 0.00 -1.46 0.00 0.00 37.83 32.03 1yaj s LYS 78 CO -0.03 -1.62 2.13 -0.80 0.16 0.00 0.00 175.35 175.19 1yaj s ASN 79 N 3.04 4.66 -1.23 1.43 0.01 -1.26 -0.83 114.94 120.76 1yaj s ASN 79 Ca 0.32 -0.18 -0.11 0.00 -0.71 0.00 0.00 52.86 52.18 1yaj s ASN 79 Cb -0.12 -2.55 0.18 0.00 0.41 0.00 0.00 41.25 39.18 1yaj s ASN 79 CO 0.19 -3.11 1.62 0.00 -1.51 0.00 0.00 177.10 174.29 1yaj n ALA 80 N 15.64 4.60 -1.58 0.60 0.00 -0.58 -4.63 120.51 134.57 1yaj n ALA 80 Ca 0.40 -4.32 0.06 0.00 0.00 0.00 0.00 53.44 49.58 1yaj n ALA 80 Cb 0.47 -2.96 0.10 0.00 0.00 0.00 0.00 19.45 17.06 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 3.80 1.25 -4.10 0.00 -2.24 -1.22 -2.02 114.28 109.75 1yaj n THR 81 Ca 0.37 -1.74 -0.14 0.00 -2.27 0.00 0.00 64.05 60.27 1yaj n THR 81 Cb 0.39 0.10 -0.12 0.00 -2.10 0.00 0.00 70.33 68.60 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 -2.37 0.85 0.08 3.42 0.01 -1.26 -4.95 113.70 109.49 1yaj s SER 82 Ca 0.25 -0.44 -0.31 0.00 1.31 0.00 0.00 55.95 56.76 1yaj s SER 82 Cb 0.24 0.00 -0.08 0.00 0.21 0.00 0.00 66.02 66.39 1yaj s SER 82 CO -0.02 -0.13 1.62 -0.31 0.41 0.00 0.00 173.24 174.81 1yaj s TYR 83 N -1.06 2.57 0.71 2.43 2.02 -1.26 -3.93 117.35 118.83 1yaj s TYR 83 Ca -0.06 0.41 -0.12 0.00 -0.37 0.00 0.00 57.07 56.93 1yaj s TYR 83 Cb -0.08 -3.94 0.02 0.00 -0.40 0.00 0.00 41.96 37.56 1yaj s TYR 83 CO 0.00 -3.69 1.08 -1.25 -1.57 0.00 0.00 175.55 170.12 1yaj s PRO 84 N 2.33 2.69 0.94 -1.71 0.04 -1.26 -4.93 135.00 133.10 1yaj s PRO 84 Ca 0.73 1.12 -0.11 0.00 0.04 0.00 0.00 61.00 62.77 1yaj s PRO 84 Cb -0.40 -1.95 0.16 0.00 0.04 0.00 0.00 34.50 32.34 1yaj s PRO 84 CO 0.32 -1.30 1.09 -2.14 0.04 0.00 0.00 177.00 175.00 1yaj s PRO 85 N -4.78 0.88 0.08 0.56 0.02 -1.26 -4.72 135.00 125.77 1yaj s PRO 85 Ca 0.61 0.94 0.05 0.00 0.02 0.00 0.00 61.00 62.61 1yaj s PRO 85 Cb -0.16 -1.76 -0.04 0.00 0.02 0.00 0.00 34.50 32.56 1yaj s PRO 85 CO 0.52 -2.54 -0.02 0.00 -0.33 0.00 0.00 177.00 174.63 1yaj s MET 86 N -4.81 2.50 0.31 5.54 0.23 -0.29 -4.75 119.30 118.03 1yaj s MET 86 Ca 0.65 -0.84 -0.29 0.00 -1.03 0.00 0.00 55.69 54.18 1yaj s MET 86 Cb -0.20 -2.51 -0.13 0.00 -1.53 0.00 0.00 34.83 30.46 1yaj s MET 86 CO 0.58 0.55 1.30 0.00 -2.03 0.00 0.00 175.02 175.42 1yaj n THR 88 N 0.77 0.00 -3.73 0.00 -1.04 -1.10 -4.77 114.28 104.42 1yaj n THR 88 Ca 0.07 -0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 62.04 1yaj n THR 88 Cb 0.34 -0.17 -0.01 0.00 -1.82 0.00 0.00 70.33 68.67 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 0.31 1.15 -0.79 -2.82 -2.07 -1.26 -4.82 119.66 109.35 1yaj s GLN 89 Ca 0.91 -0.62 -0.25 0.00 -1.82 0.00 0.00 55.36 53.58 1yaj s GLN 89 Cb -1.23 0.40 -0.17 0.00 -1.09 0.00 0.00 33.01 30.92 1yaj s GLN 89 CO 0.57 -0.52 2.48 -3.47 -1.32 0.00 0.00 175.29 173.03 1yaj n ASP 90 N -0.45 0.97 -0.30 12.60 -0.08 -1.26 -4.77 116.55 123.26 1yaj n ASP 90 Ca -0.06 -0.41 0.13 0.00 -1.51 0.00 0.00 54.79 52.93 1yaj n ASP 90 Cb 0.61 -1.21 0.29 0.00 2.34 0.00 0.00 41.12 43.16 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 14.69 0.36 0.00 -0.67 0.13 -1.97 0.55 132.00 145.08 1yaj h PRO 91 Ca -0.10 -0.02 -0.14 0.00 -0.87 0.00 0.00 66.00 64.87 1yaj h PRO 91 Cb 1.23 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 1yaj h PRO 91 CO 1.29 0.24 -0.67 0.87 -0.23 0.00 0.00 178.00 179.50 1yaj h LYS 92 N 0.37 0.00 0.06 0.86 1.57 -1.99 -2.65 116.57 114.79 1yaj h LYS 92 Ca 0.55 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 59.21 1yaj h LYS 92 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1yaj h LYS 92 CO -0.54 0.67 -0.57 0.00 -0.57 0.00 0.00 179.45 178.44 1yaj h ALA 93 N 1.33 0.02 0.00 3.86 0.00 -1.37 -3.13 119.26 119.97 1yaj h ALA 93 Ca -0.01 -0.71 -0.02 0.00 0.00 0.00 0.00 54.91 54.17 1yaj h ALA 93 Cb 1.31 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 1yaj h ALA 93 CO 0.09 0.30 -0.09 0.78 0.00 0.00 0.00 179.25 180.33 1yaj h GLY 94 N -0.67 0.00 1.79 0.00 0.00 -0.09 -1.33 103.07 102.77 1yaj h GLY 94 Ca -0.12 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 46.97 1yaj h GLY 94 CO 0.03 0.00 -1.14 -1.61 0.00 0.00 0.00 176.54 173.82 1yaj h GLN 95 N 0.00 0.11 -0.27 4.80 4.15 -1.57 -2.84 115.11 119.50 1yaj h GLN 95 Ca -0.00 -0.19 -0.14 0.00 0.77 0.00 0.00 58.65 59.09 1yaj h GLN 95 Cb 0.26 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 1yaj h GLN 95 CO 0.01 1.07 -0.39 1.25 -1.93 0.00 0.00 178.83 178.84 1yaj h LEU 96 N 0.03 0.66 -0.84 -2.39 5.85 -1.21 -1.91 115.31 115.51 1yaj h LEU 96 Ca -0.08 -0.29 -0.12 0.00 0.84 0.00 0.00 57.88 58.23 1yaj h LEU 96 Cb 1.87 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.69 1yaj h LEU 96 CO 0.16 0.98 -0.56 0.25 -0.34 0.00 0.00 178.44 178.93 1yaj h LEU 97 N 0.51 0.00 0.11 2.25 5.85 -1.42 -2.93 115.31 119.68 1yaj h LEU 97 Ca 0.04 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1yaj h LEU 97 Cb 0.91 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.94 1yaj h LEU 97 CO 0.08 0.56 -0.05 -1.28 -0.34 0.00 0.00 178.44 177.40 1yaj h SER 98 N 0.00 -0.13 -0.89 1.25 0.87 -1.23 -1.81 113.55 111.61 1yaj h SER 98 Ca -0.01 -0.33 0.19 0.00 -1.23 0.00 0.00 61.79 60.41 1yaj h SER 98 Cb 1.02 0.03 -0.11 0.00 -0.44 0.00 0.00 62.40 62.91 1yaj h SER 98 CO 0.07 0.28 0.44 -0.33 -0.53 0.00 0.00 176.83 176.76 1yaj h GLU 99 N -0.57 0.51 0.18 2.24 5.08 -1.34 -0.19 114.58 120.49 1yaj h GLU 99 Ca -0.02 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1yaj h GLU 99 Cb 0.45 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1yaj h GLU 99 CO 0.03 0.34 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.22 1yaj h LEU 100 N 0.53 -0.20 -1.14 1.33 3.38 -1.48 -3.37 115.31 114.35 1yaj h LEU 100 Ca 0.52 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.51 1yaj h LEU 100 Cb 0.89 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.65 1yaj h LEU 100 CO -0.45 -0.04 0.54 -0.26 0.09 0.00 0.00 178.44 178.32 1yaj h PHE 101 N -0.45 1.07 -1.07 1.13 0.04 -1.20 -3.46 116.94 113.00 1yaj h PHE 101 Ca -0.02 0.02 -0.43 0.00 2.80 0.00 0.00 57.97 60.34 1yaj h PHE 101 Cb 0.18 -0.36 0.10 0.00 2.20 0.00 0.00 35.95 38.08 1yaj h PHE 101 CO 0.06 0.69 -0.60 -2.37 -0.60 0.00 0.00 178.31 175.49 1yaj n THR 102 N -4.39 0.56 -0.81 -1.55 5.66 -0.09 -4.84 114.28 108.81 1yaj n THR 102 Ca 0.09 -0.34 0.08 0.00 -3.05 0.00 0.00 64.05 60.83 1yaj n THR 102 Cb 0.04 0.00 0.22 0.00 -1.55 0.00 0.00 70.33 69.03 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 1.55 3.46 -4.54 1.09 6.94 -1.26 -4.99 115.26 117.52 1yaj n ASN 103 Ca 0.08 -2.80 -0.24 0.00 -0.02 0.00 0.00 54.58 51.60 1yaj n ASN 103 Cb 0.26 -0.45 -0.09 0.00 -2.36 0.00 0.00 39.78 37.13 1yaj n ASN 103 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1yaj s ARG 104 N -2.42 1.92 0.07 -3.83 1.70 -1.26 -4.37 118.95 110.75 1yaj s ARG 104 Ca 0.36 -1.56 -0.27 0.00 -0.47 0.00 0.00 55.73 53.79 1yaj s ARG 104 Cb 0.28 -1.96 -0.12 0.00 -0.57 0.00 0.00 34.95 32.58 1yaj s ARG 104 CO 0.09 0.36 1.42 1.57 -1.08 0.00 0.00 175.30 177.66 1yaj h LYS 105 N 2.32 -0.68 -5.54 3.89 2.10 -1.88 -3.41 116.57 113.37 1yaj h LYS 105 Ca -0.43 0.05 -0.59 0.00 -2.00 0.00 0.00 60.65 57.67 1yaj h LYS 105 Cb 1.24 0.15 -0.10 0.00 -0.90 0.00 0.00 32.23 32.63 1yaj h LYS 105 CO 0.58 -0.45 -0.32 -1.83 -2.00 0.00 0.00 179.45 175.43 1yaj s GLU 106 N -5.11 4.20 0.44 0.07 -1.05 -1.26 -5.05 118.70 110.93 1yaj s GLU 106 Ca -0.13 0.12 -0.21 0.00 -0.15 0.00 0.00 54.97 54.60 1yaj s GLU 106 Cb 0.04 -3.40 -0.10 0.00 -0.44 0.00 0.00 34.13 30.22 1yaj s GLU 106 CO 0.45 0.29 0.97 1.21 0.95 0.00 0.00 175.26 179.13 1yaj s ASN 107 N 0.32 6.83 -0.20 0.83 3.04 -1.26 -5.03 114.94 119.48 1yaj s ASN 107 Ca 0.17 1.75 -0.08 0.00 0.04 0.00 0.00 52.86 54.75 1yaj s ASN 107 Cb -0.13 -2.55 -0.04 0.00 -1.54 0.00 0.00 41.25 36.99 1yaj s ASN 107 CO 0.05 -0.43 0.08 -0.63 -3.04 0.00 0.00 177.10 173.12 1yaj s ILE 108 N -2.10 4.87 0.08 -5.21 -1.09 -1.26 -5.07 121.20 111.43 1yaj s ILE 108 Ca 0.62 -0.00 -0.31 0.00 -2.23 0.00 0.00 60.65 58.74 1yaj s ILE 108 Cb -0.11 -3.22 -0.06 0.00 -1.58 0.00 0.00 42.46 37.49 1yaj s ILE 108 CO 0.15 0.43 1.26 -2.16 -1.23 0.00 0.00 174.94 173.40 1yaj s PRO 109 N 0.58 4.39 0.18 2.79 0.04 -1.26 -5.02 135.00 136.70 1yaj s PRO 109 Ca 0.04 1.87 0.08 0.00 0.04 0.00 0.00 61.00 63.03 1yaj s PRO 109 Cb -0.13 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 1yaj s PRO 109 CO 0.01 -0.32 -0.03 -0.51 0.04 0.00 0.00 177.00 176.19 1yaj s LEU 110 N 1.06 3.19 0.34 -3.56 1.43 -1.26 -5.09 118.68 114.80 1yaj s LEU 110 Ca 0.61 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 53.26 1yaj s LEU 110 Cb -0.32 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 1yaj s LEU 110 CO 0.30 0.09 0.53 -0.75 0.23 0.00 0.00 176.35 176.75 1yaj s LYS 111 N -2.90 3.43 -0.10 1.70 2.47 -1.26 -4.94 119.74 118.14 1yaj s LYS 111 Ca 0.27 -0.43 -0.02 0.00 -1.56 0.00 0.00 55.97 54.22 1yaj s LYS 111 Cb -0.09 -2.69 -0.03 0.00 -1.46 0.00 0.00 37.83 33.56 1yaj s LYS 111 CO 0.17 0.15 -0.02 -0.51 0.16 0.00 0.00 175.35 175.31 1yaj s LEU 112 N -4.28 3.45 -0.17 5.43 1.43 -1.26 -1.13 118.68 122.14 1yaj s LEU 112 Ca 0.40 0.06 -0.33 0.00 -1.03 0.00 0.00 54.13 53.23 1yaj s LEU 112 Cb -0.10 -1.79 0.14 0.00 0.03 0.00 0.00 46.19 44.47 1yaj s LEU 112 CO 0.35 0.33 1.16 -0.55 0.23 0.00 0.00 176.35 177.87 1yaj s SER 113 N -0.61 -0.18 0.46 2.29 0.15 -1.11 -4.93 113.70 109.77 1yaj s SER 113 Ca 0.10 0.04 0.26 0.00 0.70 0.00 0.00 55.95 57.05 1yaj s SER 113 Cb -0.12 0.18 0.79 0.00 -1.71 0.00 0.00 66.02 65.16 1yaj s SER 113 CO 0.02 -0.27 1.77 -0.33 1.20 0.00 0.00 173.24 175.62 1yaj h GLU 114 N 2.06 0.00 -5.62 5.44 5.08 -1.96 -2.91 114.58 116.68 1yaj h GLU 114 Ca -0.12 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.61 1yaj h GLU 114 Cb 1.18 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.29 1yaj h GLU 114 CO 0.25 0.12 1.08 0.34 -1.00 0.00 0.00 179.01 179.80 1yaj s ASP 115 N -6.07 6.48 -0.00 1.42 2.15 -1.26 -4.59 116.67 114.80 1yaj s ASP 115 Ca 0.03 -1.55 0.00 0.00 0.43 0.00 0.00 52.55 51.46 1yaj s ASP 115 Cb 0.08 -2.48 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 1yaj s ASP 115 CO 0.63 -1.35 0.57 0.00 -0.17 0.00 0.00 175.17 174.85 1yaj s LEU 117 N -0.00 4.56 0.00 0.00 1.43 -1.26 -4.55 118.68 118.85 1yaj s LEU 117 Ca 0.00 -2.66 0.04 0.00 -1.03 0.00 0.00 54.13 50.49 1yaj s LEU 117 Cb 0.00 -2.47 -0.02 0.00 0.03 0.00 0.00 46.19 43.73 1yaj s LEU 117 CO 0.00 -0.95 0.16 -1.22 0.23 0.00 0.00 176.35 174.57 1yaj n TYR 118 N 6.81 -0.20 -3.66 0.29 4.02 -1.26 -3.03 117.16 120.13 1yaj n TYR 118 Ca 0.40 -2.13 -0.13 0.00 -0.01 0.00 0.00 57.90 56.02 1yaj n TYR 118 Cb 0.45 0.09 -0.07 0.00 -0.02 0.00 0.00 39.34 39.80 1yaj n TYR 118 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 176.86 175.37 1yaj s LEU 119 N 0.00 0.37 -0.04 7.72 0.05 -0.32 -2.56 118.68 123.90 1yaj s LEU 119 Ca 0.23 0.06 0.03 0.00 0.05 0.00 0.00 54.13 54.49 1yaj s LEU 119 Cb 0.01 1.75 -0.03 0.00 -2.05 0.00 0.00 46.19 45.87 1yaj s LEU 119 CO 0.16 -0.64 -0.11 0.20 -0.55 0.00 0.00 176.35 175.41 1yaj s ASN 120 N -1.88 4.32 0.04 1.48 0.01 -0.32 -1.73 114.94 116.86 1yaj s ASN 120 Ca -0.07 -0.15 0.09 0.00 -0.71 0.00 0.00 52.86 52.02 1yaj s ASN 120 Cb -0.01 -0.97 -0.03 0.00 0.41 0.00 0.00 41.25 40.65 1yaj s ASN 120 CO -0.01 0.33 -0.25 -0.63 -1.51 0.00 0.00 177.10 175.03 1yaj s ILE 121 N -0.83 2.04 -0.23 0.60 1.01 0.26 -1.74 121.20 122.32 1yaj s ILE 121 Ca 0.13 -1.33 -0.01 0.00 0.00 0.00 0.00 60.65 59.44 1yaj s ILE 121 Cb -0.11 -1.75 0.07 0.00 0.01 0.00 0.00 42.46 40.68 1yaj s ILE 121 CO 0.03 0.36 0.01 -0.31 0.00 0.00 0.00 174.94 175.02 1yaj s TYR 122 N -0.78 1.69 -0.14 3.97 1.51 0.32 -0.90 117.35 123.02 1yaj s TYR 122 Ca 0.11 -1.35 0.01 0.00 -1.01 0.00 0.00 57.07 54.83 1yaj s TYR 122 Cb -0.10 -1.36 -0.00 0.00 -0.11 0.00 0.00 41.96 40.39 1yaj s TYR 122 CO 0.02 -0.71 -0.18 -0.08 -1.11 0.00 0.00 175.55 173.49 1yaj s THR 123 N 1.63 2.52 -1.66 -0.71 -1.32 -0.93 -0.78 115.64 114.40 1yaj s THR 123 Ca -0.01 -0.83 0.14 0.00 -1.21 0.00 0.00 61.69 59.77 1yaj s THR 123 Cb -0.18 -2.04 0.45 0.00 -1.51 0.00 0.00 72.50 69.23 1yaj s THR 123 CO -0.09 0.53 1.35 -0.81 -2.21 0.00 0.00 174.62 173.39 1yaj n PRO 124 N 3.86 2.45 -3.55 7.08 -0.04 -1.26 -1.71 135.00 141.82 1yaj n PRO 124 Ca -0.19 -1.81 -0.38 0.00 -0.04 0.00 0.00 63.50 61.08 1yaj n PRO 124 Cb 0.52 -1.52 -0.06 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.53 3.68 -0.37 0.55 0.00 -1.26 -4.86 121.76 117.97 1yaj s ALA 125 Ca 0.33 -0.33 -0.27 0.00 0.00 0.00 0.00 51.96 51.69 1yaj s ALA 125 Cb 0.19 -2.35 -0.05 0.00 0.00 0.00 0.00 23.12 20.92 1yaj s ALA 125 CO 0.19 0.38 2.18 0.34 0.00 0.00 0.00 175.76 178.85 1yaj s ASP 126 N -0.61 5.15 0.00 0.00 -1.08 -1.26 -4.80 116.67 114.08 1yaj s ASP 126 Ca 0.21 1.35 0.05 0.00 -0.52 0.00 0.00 52.55 53.64 1yaj s ASP 126 Cb -0.15 -2.51 0.26 0.00 -1.46 0.00 0.00 42.92 39.05 1yaj s ASP 126 CO 0.10 -2.28 0.83 0.18 0.52 0.00 0.00 175.17 174.51 1yaj n LEU 127 N 13.04 0.00 -0.73 -1.34 4.77 -1.26 -1.53 117.00 129.95 1yaj n LEU 127 Ca 0.30 0.10 0.13 0.00 -0.03 0.00 0.00 56.01 56.51 1yaj n LEU 127 Cb 0.49 -0.10 0.31 0.00 -2.33 0.00 0.00 43.42 41.80 1yaj n LEU 127 CO 0.69 -0.09 0.75 0.35 -1.33 0.00 0.00 177.39 177.76 1yaj n THR 128 N -1.10 0.03 -4.02 -5.08 -2.24 -1.26 -4.86 114.28 95.74 1yaj n THR 128 Ca 0.03 -0.39 -0.16 0.00 -2.27 0.00 0.00 64.05 61.26 1yaj n THR 128 Cb 0.02 0.96 -0.15 0.00 -2.10 0.00 0.00 70.33 69.06 1yaj n THR 128 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1yaj s LYS 129 N -1.97 0.36 -0.08 -0.78 1.02 -0.58 -5.10 119.74 112.61 1yaj s LYS 129 Ca 0.33 -0.04 -0.40 0.00 0.02 0.00 0.00 55.97 55.89 1yaj s LYS 129 Cb 0.20 -0.43 -0.18 0.00 -0.52 0.00 0.00 37.83 36.91 1yaj s LYS 129 CO 0.32 -0.03 1.38 1.17 -0.92 0.00 0.00 175.35 177.26 1yaj n LYS 130 N 3.59 0.69 -3.73 1.68 4.81 -1.26 -4.79 118.16 119.14 1yaj n LYS 130 Ca -0.20 0.25 -0.14 0.00 -0.87 0.00 0.00 58.31 57.35 1yaj n LYS 130 Cb 0.54 -1.85 -0.09 0.00 0.02 0.00 0.00 35.03 33.66 1yaj n LYS 130 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1yaj s ASN 131 N 1.26 -0.28 -0.40 3.14 3.84 -1.26 -5.07 114.94 116.16 1yaj s ASN 131 Ca 0.91 0.26 0.04 0.00 0.21 0.00 0.00 52.86 54.29 1yaj s ASN 131 Cb -1.13 0.41 0.16 0.00 -0.55 0.00 0.00 41.25 40.14 1yaj s ASN 131 CO 0.58 -0.42 0.43 -0.13 -2.79 0.00 0.00 177.10 174.76 1yaj s ARG 132 N -1.09 0.76 0.11 0.43 3.00 -1.02 -4.09 118.95 117.05 1yaj s ARG 132 Ca -0.11 -1.11 -0.08 0.00 0.00 0.00 0.00 55.73 54.43 1yaj s ARG 132 Cb -0.04 -0.72 -0.06 0.00 0.00 0.00 0.00 34.95 34.13 1yaj s ARG 132 CO 0.04 -1.25 0.40 -0.51 0.00 0.00 0.00 175.30 173.98 1yaj s LEU 133 N 1.10 4.31 0.58 2.53 1.43 0.18 -4.39 118.68 124.41 1yaj s LEU 133 Ca 0.22 0.72 -0.18 0.00 -1.03 0.00 0.00 54.13 53.86 1yaj s LEU 133 Cb -0.09 -3.13 -0.06 0.00 0.03 0.00 0.00 46.19 42.93 1yaj s LEU 133 CO -0.06 0.12 0.80 -0.81 0.23 0.00 0.00 176.35 176.63 1yaj n PRO 134 N 0.56 0.76 -4.42 1.29 -0.04 -1.26 -1.67 135.00 130.22 1yaj n PRO 134 Ca -0.06 0.30 -0.33 0.00 -0.04 0.00 0.00 63.50 63.37 1yaj n PRO 134 Cb 0.52 -1.98 -0.10 0.00 -0.04 0.00 0.00 33.50 31.90 1yaj n PRO 134 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1yaj s VAL 135 N -1.58 3.94 -0.21 0.52 1.01 -0.97 -1.97 120.40 121.15 1yaj s VAL 135 Ca 0.73 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1yaj s VAL 135 Cb -0.43 -2.70 0.05 0.00 0.00 0.00 0.00 36.38 33.30 1yaj s VAL 135 CO 0.50 0.47 -0.06 -0.04 0.00 0.00 0.00 175.10 175.96 1yaj s MET 136 N -1.25 1.64 -0.25 2.72 -1.94 -0.39 -0.43 119.30 119.40 1yaj s MET 136 Ca 0.16 -0.82 -0.14 0.00 -1.71 0.00 0.00 55.69 53.19 1yaj s MET 136 Cb -0.11 -2.39 -0.04 0.00 2.01 0.00 0.00 34.83 34.29 1yaj s MET 136 CO 0.06 -0.52 0.30 0.08 -0.01 0.00 0.00 175.02 174.94 1yaj s VAL 137 N 1.47 5.24 -0.18 -6.03 1.01 0.62 -0.46 120.40 122.07 1yaj s VAL 137 Ca -0.03 0.45 -0.08 0.00 0.00 0.00 0.00 61.98 62.32 1yaj s VAL 137 Cb -0.17 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1yaj s VAL 137 CO -0.07 0.23 0.08 0.86 0.00 0.00 0.00 175.10 176.21 1yaj s TRP 138 N 1.63 3.32 -0.23 5.22 -0.11 0.54 -1.73 118.94 127.58 1yaj s TRP 138 Ca 0.13 0.18 -0.04 0.00 1.22 0.00 0.00 56.10 57.59 1yaj s TRP 138 Cb -0.15 -2.08 -0.00 0.00 -1.50 0.00 0.00 33.47 29.73 1yaj s TRP 138 CO 0.08 0.24 -0.04 0.42 -4.62 0.00 0.00 176.95 173.04 1yaj s ILE 139 N 0.23 3.34 0.94 5.86 1.01 -0.12 -2.25 121.20 130.21 1yaj s ILE 139 Ca 0.06 -0.55 -0.12 0.00 0.00 0.00 0.00 60.65 60.04 1yaj s ILE 139 Cb -0.12 -2.54 0.16 0.00 0.01 0.00 0.00 42.46 39.97 1yaj s ILE 139 CO -0.00 0.39 1.12 -1.38 0.00 0.00 0.00 174.94 175.07 1yaj s HIS 140 N 1.47 2.36 0.38 3.97 -3.43 -1.26 -3.55 115.29 115.22 1yaj s HIS 140 Ca 0.05 0.92 0.04 0.00 -0.80 0.00 0.00 55.06 55.27 1yaj s HIS 140 Cb -0.14 -3.33 0.04 0.00 -1.43 0.00 0.00 32.58 27.72 1yaj s HIS 140 CO -0.03 -2.56 0.32 0.41 -2.00 0.00 0.00 174.74 170.88 1yaj n GLY 141 N -1.75 2.71 0.00 -1.38 0.00 -1.24 -3.31 105.19 100.23 1yaj n GLY 141 Ca 0.06 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.83 1yaj n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yaj n GLY 142 N 0.41 0.05 1.52 -0.02 0.00 -1.26 -4.44 105.19 101.45 1yaj n GLY 142 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.21 2.51 -0.02 0.00 -1.26 0.23 105.19 106.44 1yaj n GLY 143 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.49 0.40 -0.01 0.99 4.77 -1.26 -4.82 117.00 115.59 1yaj n LEU 144 Ca 0.00 0.03 0.04 0.00 -0.03 0.00 0.00 56.01 56.05 1yaj n LEU 144 Cb 0.21 -1.57 -0.08 0.00 -2.33 0.00 0.00 43.42 39.65 1yaj n LEU 144 CO 0.00 -0.53 -0.64 0.23 -1.33 0.00 0.00 177.39 175.12 1yaj n MET 145 N -1.07 0.51 -3.95 3.23 2.81 0.63 -0.31 117.12 118.97 1yaj n MET 145 Ca -0.01 -0.09 -0.09 0.00 -1.81 0.00 0.00 57.70 55.71 1yaj n MET 145 Cb 0.27 -1.25 -0.04 0.00 -0.71 0.00 0.00 33.22 31.49 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 -2.68 0.00 0.00 2.03 -7.23 -0.71 -4.57 120.40 107.24 1yaj s VAL 146 Ca -0.04 -1.28 0.00 0.00 -1.81 0.00 0.00 61.98 58.86 1yaj s VAL 146 Cb 0.06 -2.18 0.00 0.00 0.56 0.00 0.00 36.38 34.82 1yaj s VAL 146 CO 0.43 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.83 1yaj n GLY 147 N -0.42 2.09 3.66 2.32 0.00 -1.26 -4.05 105.19 107.54 1yaj n GLY 147 Ca -0.02 -2.11 -0.06 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.65 -1.62 -0.10 4.61 0.00 -1.26 -4.56 121.76 117.19 1yaj s ALA 148 Ca 0.00 0.33 -0.18 0.00 0.00 0.00 0.00 51.96 52.11 1yaj s ALA 148 Cb 0.00 0.65 -0.27 0.00 0.00 0.00 0.00 23.12 23.50 1yaj s ALA 148 CO 0.00 -0.91 0.60 0.00 0.00 0.00 0.00 175.76 175.45 1yaj h ALA 149 N 2.00 0.13 0.00 0.00 0.00 -1.90 -3.31 119.26 116.18 1yaj h ALA 149 Ca -0.24 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 53.67 1yaj h ALA 149 Cb 1.25 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1yaj h ALA 149 CO 0.28 0.70 0.09 0.43 0.00 0.00 0.00 179.25 180.75 1yaj n SER 150 N -4.03 0.05 -0.06 0.00 7.64 -1.26 -1.91 113.62 114.05 1yaj n SER 150 Ca -0.23 0.44 -0.13 0.00 1.01 0.00 0.00 58.87 59.97 1yaj n SER 150 Cb 0.85 -0.45 -0.07 0.00 -1.01 0.00 0.00 64.21 63.54 1yaj n SER 150 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1yaj h THR 151 N 0.00 1.34 -3.50 0.44 2.02 -1.96 -3.43 112.91 107.83 1yaj h THR 151 Ca 0.00 -1.34 -0.60 0.00 0.77 0.00 0.00 66.41 65.24 1yaj h THR 151 Cb 0.18 1.83 -0.11 0.00 -1.74 0.00 0.00 68.15 68.31 1yaj h THR 151 CO 0.00 0.40 -0.00 -0.31 0.37 0.00 0.00 175.52 175.98 1yaj s TYR 152 N -4.31 3.33 -0.22 3.16 1.51 -0.80 -4.09 117.35 115.93 1yaj s TYR 152 Ca -0.14 0.75 -0.13 0.00 -1.01 0.00 0.00 57.07 56.54 1yaj s TYR 152 Cb 0.06 -2.71 -0.05 0.00 -0.11 0.00 0.00 41.96 39.15 1yaj s TYR 152 CO 0.77 -0.18 0.25 0.34 -1.11 0.00 0.00 175.55 175.62 1yaj s ASP 153 N 1.30 6.24 0.09 2.29 3.68 -1.26 -4.95 116.67 124.06 1yaj s ASP 153 Ca 0.24 0.27 0.25 0.00 2.13 0.00 0.00 52.55 55.44 1yaj s ASP 153 Cb -0.15 -2.15 0.60 0.00 -1.45 0.00 0.00 42.92 39.76 1yaj s ASP 153 CO 0.09 0.01 1.51 0.61 0.13 0.00 0.00 175.17 177.53 1yaj n GLY 154 N 4.14 -1.44 0.26 2.66 0.00 -1.26 -4.47 105.19 105.06 1yaj n GLY 154 Ca -0.12 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1yaj n GLY 154 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1yaj n LEU 155 N -1.91 -0.40 0.22 0.99 7.94 -1.26 -0.90 117.00 121.68 1yaj n LEU 155 Ca 0.05 1.18 -0.09 0.00 -1.11 0.00 0.00 56.01 56.03 1yaj n LEU 155 Cb 0.40 -0.29 -0.04 0.00 0.53 0.00 0.00 43.42 44.02 1yaj n LEU 155 CO 0.34 -1.07 0.38 0.00 -1.11 0.00 0.00 177.39 175.93 1yaj h ALA 156 N 1.01 -0.89 -1.00 1.96 0.00 -1.82 -2.20 119.26 116.33 1yaj h ALA 156 Ca 0.25 -0.13 0.25 0.00 0.00 0.00 0.00 54.91 55.29 1yaj h ALA 156 Cb 0.42 0.23 -0.19 0.00 0.00 0.00 0.00 17.79 18.25 1yaj h ALA 156 CO -0.68 -0.84 -0.05 -0.11 0.00 0.00 0.00 179.25 177.57 1yaj n LEU 157 N -4.03 -0.18 0.24 0.00 7.94 -0.54 -0.97 117.00 119.46 1yaj n LEU 157 Ca -0.07 1.70 -0.10 0.00 -1.11 0.00 0.00 56.01 56.43 1yaj n LEU 157 Cb 0.23 -0.59 -0.05 0.00 0.53 0.00 0.00 43.42 43.55 1yaj n LEU 157 CO 0.18 -1.70 0.45 0.00 -1.11 0.00 0.00 177.39 175.21 1yaj h ALA 158 N 1.99 -1.03 0.11 1.96 0.00 -1.04 -0.55 119.26 120.69 1yaj h ALA 158 Ca 0.57 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.35 1yaj h ALA 158 Cb 1.10 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 1yaj h ALA 158 CO -0.96 -0.99 -0.42 0.00 0.00 0.00 0.00 179.25 176.88 1yaj h ALA 159 N -1.64 -0.92 -0.73 0.00 0.00 -0.67 0.51 119.26 115.82 1yaj h ALA 159 Ca -0.06 -0.09 0.16 0.00 0.00 0.00 0.00 54.91 54.91 1yaj h ALA 159 Cb 0.48 0.79 -0.11 0.00 0.00 0.00 0.00 17.79 18.96 1yaj h ALA 159 CO 0.10 -1.01 0.17 0.45 0.00 0.00 0.00 179.25 178.96 1yaj h HIS 160 N -0.61 0.27 -0.01 0.00 -0.00 -1.16 -2.96 115.15 110.68 1yaj h HIS 160 Ca -0.01 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1yaj h HIS 160 Cb 0.60 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.01 1yaj h HIS 160 CO -0.41 -0.08 -0.50 0.39 -0.00 0.00 0.00 177.93 177.32 1yaj n GLU 161 N -5.16 1.09 -3.54 2.45 -0.58 -0.22 -5.00 120.64 109.69 1yaj n GLU 161 Ca 0.14 -0.89 -0.21 0.00 -0.42 0.00 0.00 57.16 55.78 1yaj n GLU 161 Cb 0.45 -1.48 0.05 0.00 -0.57 0.00 0.00 31.44 29.89 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 -0.18 -3.67 -4.05 1.62 4.05 0.18 -5.02 115.26 108.19 1yaj n ASN 162 Ca 0.09 -0.81 -0.11 0.00 0.45 0.00 0.00 54.58 54.21 1yaj n ASN 162 Cb 0.45 -4.37 -0.11 0.00 1.23 0.00 0.00 39.78 36.99 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 -3.51 0.37 -0.17 3.44 -7.23 -1.21 -4.66 120.40 107.43 1yaj s VAL 163 Ca 0.23 -1.19 -0.24 0.00 -1.81 0.00 0.00 61.98 58.98 1yaj s VAL 163 Cb -0.05 -0.69 -0.02 0.00 0.56 0.00 0.00 36.38 36.17 1yaj s VAL 163 CO 0.79 -0.54 0.75 -0.69 -0.31 0.00 0.00 175.10 175.10 1yaj s VAL 164 N -1.92 4.94 -0.22 1.32 1.01 -0.83 -4.32 120.40 120.38 1yaj s VAL 164 Ca -0.08 1.46 -0.08 0.00 0.00 0.00 0.00 61.98 63.28 1yaj s VAL 164 Cb -0.06 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1yaj s VAL 164 CO -0.02 0.07 0.08 -0.69 0.00 0.00 0.00 175.10 174.54 1yaj s VAL 165 N 1.99 4.65 -0.18 2.92 1.01 0.04 -1.27 120.40 129.57 1yaj s VAL 165 Ca 0.35 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.26 1yaj s VAL 165 Cb -0.16 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.09 1yaj s VAL 165 CO 0.12 0.39 -0.17 -0.69 0.00 0.00 0.00 175.10 174.75 1yaj s VAL 166 N 0.96 2.31 -0.28 2.92 1.01 0.39 -0.52 120.40 127.18 1yaj s VAL 166 Ca 0.04 -0.86 -0.06 0.00 0.00 0.00 0.00 61.98 61.09 1yaj s VAL 166 Cb -0.14 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.27 1yaj s VAL 166 CO 0.03 0.52 0.07 0.42 0.00 0.00 0.00 175.10 176.14 1yaj s THR 167 N 1.21 3.94 0.20 3.92 -4.23 -0.71 0.20 115.64 120.18 1yaj s THR 167 Ca 0.03 -0.62 0.07 0.00 -1.18 0.00 0.00 61.69 59.99 1yaj s THR 167 Cb -0.14 -2.99 -0.04 0.00 1.34 0.00 0.00 72.50 70.68 1yaj s THR 167 CO -0.09 0.14 0.08 0.27 -0.54 0.00 0.00 174.62 174.48 1yaj s ILE 168 N 1.51 4.03 0.33 2.99 -5.25 -0.95 -1.17 121.20 122.67 1yaj s ILE 168 Ca 0.03 -1.42 0.09 0.00 -0.99 0.00 0.00 60.65 58.37 1yaj s ILE 168 Cb -0.17 -3.09 -0.05 0.00 2.95 0.00 0.00 42.46 42.10 1yaj s ILE 168 CO 0.02 -0.21 0.03 -1.10 -1.79 0.00 0.00 174.94 171.89 1yaj s GLN 169 N -3.31 2.16 -0.04 0.37 -0.21 -1.06 -4.50 119.66 113.07 1yaj s GLN 169 Ca 0.30 -1.66 -0.30 0.00 0.02 0.00 0.00 55.36 53.72 1yaj s GLN 169 Cb -0.09 -2.01 0.07 0.00 1.00 0.00 0.00 33.01 31.98 1yaj s GLN 169 CO 0.21 0.17 0.66 1.52 -2.12 0.00 0.00 175.29 175.73 1yaj s TYR 170 N -2.47 -0.63 0.17 0.91 1.13 -1.26 -4.65 117.35 110.54 1yaj s TYR 170 Ca 0.35 1.07 -0.33 0.00 -1.41 0.00 0.00 57.07 56.75 1yaj s TYR 170 Cb -0.02 0.40 -0.16 0.00 -1.10 0.00 0.00 41.96 41.08 1yaj s TYR 170 CO 0.20 -0.60 1.09 0.54 -2.51 0.00 0.00 175.55 174.27 1yaj n ARG 171 N 0.90 1.01 -4.43 -3.49 1.74 -1.26 -4.87 116.66 106.26 1yaj n ARG 171 Ca -0.19 0.36 -0.25 0.00 -0.77 0.00 0.00 57.85 57.00 1yaj n ARG 171 Cb 0.57 -1.81 -0.10 0.00 -1.02 0.00 0.00 32.46 30.10 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 0.78 2.64 0.00 0.55 1.43 -1.26 -4.22 118.68 118.60 1yaj s LEU 172 Ca 0.73 -0.92 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 1yaj s LEU 172 Cb -0.88 -1.22 0.00 0.00 0.03 0.00 0.00 46.19 44.12 1yaj s LEU 172 CO 0.53 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.78 1yaj n GLY 173 N -0.39 1.90 0.31 -3.19 0.00 0.57 -2.01 105.19 102.38 1yaj n GLY 173 Ca -0.07 -0.41 0.14 0.00 0.00 0.00 0.00 46.02 45.68 1yaj n GLY 173 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1yaj h ILE 174 N 0.00 0.40 -0.78 -0.61 2.04 -1.92 1.76 117.51 118.41 1yaj h ILE 174 Ca 0.00 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 1yaj h ILE 174 Cb 0.00 0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.09 1yaj h ILE 174 CO 0.00 0.06 0.47 -0.50 0.00 0.00 0.00 178.15 178.18 1yaj h TRP 175 N 0.33 1.02 -0.01 1.37 6.55 -1.83 -2.88 115.95 120.50 1yaj h TRP 175 Ca 0.58 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.42 1yaj h TRP 175 Cb 1.15 -0.34 0.00 0.00 -0.86 0.00 0.00 29.16 29.11 1yaj h TRP 175 CO -0.16 0.68 -0.20 0.41 -1.05 0.00 0.00 178.44 178.11 1yaj n GLY 176 N -1.21 -0.16 0.00 1.49 0.00 0.19 -4.46 105.19 101.05 1yaj n GLY 176 Ca 0.07 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.15 0.00 -1.69 1.61 3.72 0.58 -0.38 117.46 121.15 1yaj n PHE 177 Ca 0.05 -0.09 -0.42 0.00 -0.05 0.00 0.00 57.45 56.94 1yaj n PHE 177 Cb 0.23 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.74 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 -0.17 1.32 -0.02 1.38 2.19 -1.09 -4.49 117.98 117.09 1yaj s PHE 178 Ca 0.00 -0.37 0.03 0.00 0.33 0.00 0.00 56.93 56.92 1yaj s PHE 178 Cb 0.00 -4.21 -0.00 0.00 -1.31 0.00 0.00 43.02 37.50 1yaj s PHE 178 CO 0.00 -5.39 -0.10 0.45 1.83 0.00 0.00 175.22 172.01 1yaj s SER 179 N 4.56 1.28 0.00 6.13 0.15 -1.26 -4.14 113.70 120.42 1yaj s SER 179 Ca 0.88 -0.20 0.24 0.00 0.70 0.00 0.00 55.95 57.57 1yaj s SER 179 Cb -0.41 -0.29 0.26 0.00 -1.71 0.00 0.00 66.02 63.86 1yaj s SER 179 CO 0.40 0.09 1.29 0.35 1.20 0.00 0.00 173.24 176.57 1yaj n THR 180 N 3.15 0.00 -0.79 6.45 -2.24 -0.71 -4.46 114.28 115.68 1yaj n THR 180 Ca -0.17 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1yaj n THR 180 Cb 0.55 1.35 0.00 0.00 -2.10 0.00 0.00 70.33 70.13 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 1.34 0.87 0.88 3.38 0.00 -1.26 -4.33 105.19 106.07 1yaj n GLY 181 Ca 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 1yaj n GLY 181 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1yaj n ASP 182 N 0.00 -0.07 0.00 1.61 3.85 -1.26 -4.95 116.55 115.73 1yaj n ASP 182 Ca 0.00 -1.60 0.03 0.00 -0.71 0.00 0.00 54.79 52.51 1yaj n ASP 182 Cb 0.00 0.44 0.18 0.00 -1.35 0.00 0.00 41.12 40.39 1yaj n ASP 182 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 1yaj n GLU 183 N -0.18 0.18 0.01 0.11 0.00 -1.26 -1.28 120.64 118.22 1yaj n GLU 183 Ca 0.02 0.04 0.11 0.00 0.00 0.00 0.00 57.16 57.32 1yaj n GLU 183 Cb 0.17 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 30.08 1yaj n GLU 183 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1yaj n HIS 184 N -1.04 0.16 -2.69 -1.84 8.25 -1.26 -4.65 115.22 112.15 1yaj n HIS 184 Ca 0.04 0.05 -0.06 0.00 -0.26 0.00 0.00 57.72 57.50 1yaj n HIS 184 Cb 0.03 -0.34 0.10 0.00 1.12 0.00 0.00 29.99 30.90 1yaj n HIS 184 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1yaj n SER 185 N -1.88 -1.71 -0.30 0.41 2.88 -0.85 -4.90 113.62 107.27 1yaj n SER 185 Ca 0.02 -2.59 0.04 0.00 -1.33 0.00 0.00 58.87 55.01 1yaj n SER 185 Cb 0.43 1.44 0.12 0.00 -0.75 0.00 0.00 64.21 65.45 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 2.62 0.01 0.00 -1.46 3.08 -1.45 -1.88 114.38 115.29 1yaj h ARG 186 Ca -0.23 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.82 1yaj h ARG 186 Cb 1.17 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.21 1yaj h ARG 186 CO 0.05 0.01 0.00 0.41 -1.07 0.00 0.00 179.97 179.36 1yaj n GLY 187 N -1.54 -0.27 2.57 0.04 0.00 -1.26 -4.53 105.19 100.20 1yaj n GLY 187 Ca 0.13 -2.25 -0.21 0.00 0.00 0.00 0.00 46.02 43.69 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 -5.58 -0.11 1.61 3.02 -1.26 -4.80 115.26 108.14 1yaj n ASN 188 Ca 0.00 0.43 0.27 0.00 -0.03 0.00 0.00 54.58 55.24 1yaj n ASN 188 Cb 0.00 -4.88 0.72 0.00 -0.61 0.00 0.00 39.78 35.01 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 0.00 0.00 0.23 3.10 -0.00 -1.63 -0.66 115.95 116.99 1yaj h TRP 189 Ca -0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.44 1yaj h TRP 189 Cb 1.37 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.53 1yaj h TRP 189 CO 0.58 0.00 -0.11 0.78 -0.00 0.00 0.00 178.44 179.69 1yaj h GLY 190 N 0.00 -0.32 0.92 1.49 0.00 -0.92 -2.97 103.07 101.27 1yaj h GLY 190 Ca 0.37 0.12 0.08 0.00 0.00 0.00 0.00 47.33 47.90 1yaj h GLY 190 CO -0.00 -0.12 0.52 0.45 0.00 0.00 0.00 176.54 177.39 1yaj h HIS 191 N -0.85 0.83 -0.88 5.60 3.86 -1.59 0.11 115.15 122.22 1yaj h HIS 191 Ca -0.03 0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.27 1yaj h HIS 191 Cb 0.51 -0.27 -0.06 0.00 1.06 0.00 0.00 27.41 28.65 1yaj h HIS 191 CO 0.06 0.42 0.57 -0.07 0.86 0.00 0.00 177.93 179.77 1yaj h LEU 192 N 0.80 0.87 -0.37 2.43 3.38 -1.16 -0.68 115.31 120.57 1yaj h LEU 192 Ca 0.35 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.27 1yaj h LEU 192 Cb 0.32 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1yaj h LEU 192 CO -0.13 0.55 -0.01 0.44 0.09 0.00 0.00 178.44 179.38 1yaj h ASP 193 N 0.98 0.65 -0.00 -0.43 3.32 -0.64 0.26 116.42 120.56 1yaj h ASP 193 Ca 0.38 -0.32 0.03 0.00 0.02 0.00 0.00 57.03 57.15 1yaj h ASP 193 Cb 0.23 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 1yaj h ASP 193 CO -0.14 0.81 -0.31 1.56 -1.72 0.00 0.00 179.24 179.43 1yaj h GLN 194 N 0.47 -0.45 -0.43 3.56 4.20 -0.38 0.92 115.11 123.00 1yaj h GLN 194 Ca 0.10 0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.89 1yaj h GLN 194 Cb 0.48 0.10 -0.05 0.00 0.30 0.00 0.00 27.48 28.32 1yaj h GLN 194 CO 0.02 -0.30 0.16 0.28 -0.67 0.00 0.00 178.83 178.32 1yaj h VAL 195 N -0.46 0.88 -0.76 -0.54 2.07 -1.03 -0.12 116.25 116.29 1yaj h VAL 195 Ca 0.06 -0.11 0.15 0.00 0.82 0.00 0.00 66.70 67.62 1yaj h VAL 195 Cb 0.55 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 1yaj h VAL 195 CO -0.26 0.06 0.51 0.00 0.02 0.00 0.00 177.57 177.89 1yaj h ALA 196 N 1.27 2.09 -0.03 1.67 0.00 0.17 0.27 119.26 124.71 1yaj h ALA 196 Ca 0.20 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.91 1yaj h ALA 196 Cb 0.18 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1yaj h ALA 196 CO -0.20 -0.30 -0.81 0.00 0.00 0.00 0.00 179.25 177.94 1yaj h ALA 197 N 1.64 0.55 -0.29 0.00 0.00 0.25 -2.63 119.26 118.78 1yaj h ALA 197 Ca 0.37 -0.66 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 1yaj h ALA 197 Cb 0.84 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1yaj h ALA 197 CO -0.12 0.82 -0.39 -0.07 0.00 0.00 0.00 179.25 179.48 1yaj h LEU 198 N 0.20 0.72 -1.54 0.00 3.38 0.86 -1.94 115.31 116.99 1yaj h LEU 198 Ca -0.04 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1yaj h LEU 198 Cb 1.41 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1yaj h LEU 198 CO 0.13 1.03 0.00 0.03 0.09 0.00 0.00 178.44 179.73 1yaj h ARG 199 N 0.56 0.00 0.10 1.13 3.08 -0.53 -2.10 114.38 116.62 1yaj h ARG 199 Ca 0.05 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.82 1yaj h ARG 199 Cb 0.92 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.99 1yaj h ARG 199 CO 0.08 0.00 -1.19 2.35 -1.07 0.00 0.00 179.97 180.14 1yaj h TRP 200 N 0.00 0.85 0.00 3.04 7.01 -1.03 -3.18 115.95 122.63 1yaj h TRP 200 Ca 0.00 -0.53 -0.02 0.00 2.11 0.00 0.00 58.89 60.45 1yaj h TRP 200 Cb 0.44 -0.07 -0.00 0.00 -2.10 0.00 0.00 29.16 27.43 1yaj h TRP 200 CO 0.00 1.38 -0.10 0.28 -2.79 0.00 0.00 178.44 177.22 1yaj h VAL 201 N 0.23 0.36 0.00 2.65 2.07 -0.73 -2.33 116.25 118.50 1yaj h VAL 201 Ca -0.16 -0.56 -0.05 0.00 0.82 0.00 0.00 66.70 66.75 1yaj h VAL 201 Cb 1.87 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 33.04 1yaj h VAL 201 CO 0.22 0.09 -0.46 1.56 0.02 0.00 0.00 177.57 179.00 1yaj h GLN 202 N 0.00 0.00 -0.22 1.57 1.08 -1.41 -2.59 115.11 113.54 1yaj h GLN 202 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1yaj h GLN 202 Cb 0.40 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 1yaj h GLN 202 CO 0.01 0.19 0.00 -0.25 -0.95 0.00 0.00 178.83 177.83 1yaj n ASP 203 N -3.05 3.06 0.00 1.46 8.00 -1.06 -4.80 116.55 120.16 1yaj n ASP 203 Ca 0.01 -2.50 0.00 0.00 0.71 0.00 0.00 54.79 53.01 1yaj n ASP 203 Cb 0.63 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 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 -0.25 0.00 -0.04 -2.24 3.02 -0.90 -4.50 115.26 110.34 1yaj n ASN 204 Ca 0.14 0.00 0.25 0.00 -0.03 0.00 0.00 54.58 54.93 1yaj n ASN 204 Cb 0.59 0.00 0.69 0.00 -0.61 0.00 0.00 39.78 40.45 1yaj n ASN 204 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1yaj h ILE 205 N 0.00 0.31 0.00 2.41 6.09 -1.60 0.86 117.51 125.58 1yaj h ILE 205 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1yaj h ILE 205 Cb 0.00 0.48 0.00 0.00 0.47 0.00 0.00 36.82 37.77 1yaj h ILE 205 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.08 1yaj h ALA 206 N 1.30 1.00 0.00 0.18 0.00 -1.76 -0.88 119.26 119.10 1yaj h ALA 206 Ca 0.32 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 1yaj h ALA 206 Cb 1.65 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1yaj h ALA 206 CO -0.00 0.00 -0.17 0.77 0.00 0.00 0.00 179.25 179.84 1yaj h SER 207 N 0.00 0.00 -0.59 0.00 0.02 0.49 -2.68 113.55 110.79 1yaj h SER 207 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1yaj h SER 207 Cb 0.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1yaj h SER 207 CO 0.00 0.17 0.00 0.49 -1.14 0.00 0.00 176.83 176.35 1yaj n PHE 208 N -3.33 1.03 -0.41 3.45 3.01 -0.43 -4.87 117.46 115.92 1yaj n PHE 208 Ca 0.00 -0.56 0.00 0.00 1.01 0.00 0.00 57.45 57.90 1yaj n PHE 208 Cb 0.40 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 39.76 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 1.07 0.79 3.87 1.37 0.00 -1.01 -4.77 105.19 106.52 1yaj n GLY 209 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.96 2.32 -0.58 -0.02 0.00 -0.64 0.47 107.32 106.91 1yaj s GLY 210 Ca 0.00 -0.40 -0.24 0.00 0.00 0.00 0.00 44.72 44.08 1yaj s GLY 210 CO 0.00 -0.21 0.95 0.21 0.00 0.00 0.00 173.10 174.05 1yaj s ASN 211 N -1.85 6.29 0.00 1.64 3.84 -0.67 -3.11 114.94 121.08 1yaj s ASN 211 Ca 0.34 -0.52 0.02 0.00 0.21 0.00 0.00 52.86 52.91 1yaj s ASN 211 Cb -0.14 -2.43 0.13 0.00 -0.55 0.00 0.00 41.25 38.26 1yaj s ASN 211 CO 0.19 -1.29 0.42 -0.81 -2.79 0.00 0.00 177.10 172.82 1yaj n PRO 212 N 7.54 0.15 -0.02 0.43 -0.04 -1.26 -1.04 135.00 140.76 1yaj n PRO 212 Ca 0.00 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.55 1yaj n PRO 212 Cb 0.47 -1.22 0.08 0.00 -0.04 0.00 0.00 33.50 32.79 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 -0.51 0.44 2.64 0.55 0.00 -1.26 -4.59 105.19 102.46 1yaj n GLY 213 Ca 0.02 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 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 0.96 1.19 -4.66 1.61 2.88 -0.20 -4.94 113.62 110.45 1yaj n SER 214 Ca 0.10 -2.71 -0.42 0.00 -1.33 0.00 0.00 58.87 54.51 1yaj n SER 214 Cb 0.43 -0.43 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 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 -2.86 4.77 -0.21 2.46 1.01 -1.26 -2.28 120.40 122.03 1yaj s VAL 215 Ca 0.27 1.85 -0.03 0.00 0.00 0.00 0.00 61.98 64.08 1yaj s VAL 215 Cb 0.45 -4.23 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 1yaj s VAL 215 CO 0.03 -0.09 -0.08 -0.89 0.00 0.00 0.00 175.10 174.06 1yaj s THR 216 N 2.78 3.11 0.10 3.92 2.01 0.43 0.69 115.64 128.67 1yaj s THR 216 Ca 0.41 -0.58 -0.01 0.00 0.31 0.00 0.00 61.69 61.82 1yaj s THR 216 Cb -0.16 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.92 1yaj s THR 216 CO 0.09 0.45 0.26 0.27 -0.69 0.00 0.00 174.62 175.00 1yaj s ILE 217 N 1.36 5.33 -0.15 1.82 -4.36 -0.74 -0.27 121.20 124.18 1yaj s ILE 217 Ca 0.04 -0.36 -0.29 0.00 -0.26 0.00 0.00 60.65 59.79 1yaj s ILE 217 Cb -0.14 -3.65 0.09 0.00 1.25 0.00 0.00 42.46 40.01 1yaj s ILE 217 CO -0.04 0.07 0.83 0.72 0.24 0.00 0.00 174.94 176.76 1yaj s PHE 218 N -1.59 -0.57 0.22 1.37 -0.71 -0.71 -0.86 117.98 115.14 1yaj s PHE 218 Ca 0.36 1.11 -0.19 0.00 -1.04 0.00 0.00 56.93 57.17 1yaj s PHE 218 Cb -0.12 0.39 0.03 0.00 -1.21 0.00 0.00 43.02 42.11 1yaj s PHE 218 CO 0.28 -0.44 0.58 0.20 -1.34 0.00 0.00 175.22 174.50 1yaj s GLY 219 N -0.72 -0.08 0.18 1.99 0.00 -1.08 -0.95 107.32 106.66 1yaj s GLY 219 Ca -0.04 -0.24 0.09 0.00 0.00 0.00 0.00 44.72 44.53 1yaj s GLY 219 CO 0.04 -0.20 -0.12 1.85 0.00 0.00 0.00 173.10 174.66 1yaj s GLU 220 N -3.89 1.96 1.28 2.90 -6.30 -1.23 -0.64 118.70 112.79 1yaj s GLU 220 Ca 0.10 -1.30 0.00 0.00 -2.50 0.00 0.00 54.97 51.27 1yaj s GLU 220 Cb -0.02 -2.11 0.00 0.00 0.00 0.00 0.00 34.13 32.00 1yaj s GLU 220 CO 0.00 0.43 0.00 0.45 0.02 0.00 0.00 175.26 176.16 1yaj n SER 221 N 0.12 0.00 -0.32 -1.70 2.88 -0.42 0.23 113.62 114.40 1yaj n SER 221 Ca -0.11 0.00 0.28 0.00 -1.33 0.00 0.00 58.87 57.71 1yaj n SER 221 Cb 0.55 0.00 0.53 0.00 -0.75 0.00 0.00 64.21 64.55 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 -0.16 2.02 -0.12 -1.46 0.00 -1.86 2.07 119.26 119.75 1yaj h ALA 222 Ca 0.00 0.26 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 1yaj h ALA 222 Cb 0.00 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1yaj h ALA 222 CO 0.00 -0.84 -0.17 0.78 0.00 0.00 0.00 179.25 179.02 1yaj h GLY 223 N 0.06 0.20 1.85 0.00 0.00 -0.21 -1.19 103.07 103.78 1yaj h GLY 223 Ca 0.80 -0.13 -0.08 0.00 0.00 0.00 0.00 47.33 47.93 1yaj h GLY 223 CO -0.75 0.12 -0.29 -1.33 0.00 0.00 0.00 176.54 174.28 1yaj h GLY 224 N 0.76 0.19 0.56 4.60 0.00 0.37 -1.52 103.07 108.03 1yaj h GLY 224 Ca 0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.17 1yaj h GLY 224 CO 0.03 0.14 -0.13 -2.09 0.00 0.00 0.00 176.54 174.48 1yaj h GLU 225 N 0.16 0.18 -0.10 4.80 4.22 -0.71 -2.31 114.58 120.82 1yaj h GLU 225 Ca 0.02 -0.12 0.04 0.00 0.08 0.00 0.00 59.36 59.38 1yaj h GLU 225 Cb 0.60 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.82 1yaj h GLU 225 CO 0.04 0.73 -0.23 0.77 -2.18 0.00 0.00 179.01 178.14 1yaj h SER 226 N -0.34 -0.70 -0.99 1.04 0.02 -1.20 1.67 113.55 113.05 1yaj h SER 226 Ca -0.00 0.11 0.18 0.00 -0.84 0.00 0.00 61.79 61.23 1yaj h SER 226 Cb 0.73 0.31 -0.10 0.00 0.14 0.00 0.00 62.40 63.48 1yaj h SER 226 CO 0.03 -0.28 0.61 0.58 -1.14 0.00 0.00 176.83 176.63 1yaj h VAL 227 N -0.30 0.75 -0.27 2.27 2.07 -1.32 0.57 116.25 120.02 1yaj h VAL 227 Ca 0.09 -0.26 -0.12 0.00 0.82 0.00 0.00 66.70 67.23 1yaj h VAL 227 Cb 0.44 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1yaj h VAL 227 CO -0.28 0.14 -0.29 -1.28 0.02 0.00 0.00 177.57 175.88 1yaj h SER 228 N 0.77 0.73 -0.53 0.57 0.87 0.12 -2.87 113.55 113.21 1yaj h SER 228 Ca 0.55 -0.48 -0.04 0.00 -1.23 0.00 0.00 61.79 60.59 1yaj h SER 228 Cb 0.84 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.57 1yaj h SER 228 CO -0.33 1.06 0.20 0.58 -0.53 0.00 0.00 176.83 177.82 1yaj h VAL 229 N 0.41 1.22 0.00 2.23 2.07 0.58 -1.98 116.25 120.78 1yaj h VAL 229 Ca 0.04 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 1yaj h VAL 229 Cb 0.87 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1yaj h VAL 229 CO 0.07 0.28 -0.10 -0.07 0.02 0.00 0.00 177.57 177.77 1yaj h LEU 230 N 0.84 0.00 -0.33 2.57 3.38 0.01 -2.31 115.31 119.46 1yaj h LEU 230 Ca 0.19 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.98 1yaj h LEU 230 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1yaj h LEU 230 CO -0.01 0.10 -0.84 0.58 0.09 0.00 0.00 178.44 178.35 1yaj h VAL 231 N 0.00 1.50 -0.01 1.22 2.07 -1.13 -3.15 116.25 116.75 1yaj h VAL 231 Ca -0.00 -2.58 0.00 0.00 0.82 0.00 0.00 66.70 64.94 1yaj h VAL 231 Cb 0.56 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.76 1yaj h VAL 231 CO 0.01 0.75 -0.28 0.18 0.02 0.00 0.00 177.57 178.25 1yaj n LEU 232 N -3.67 1.12 -4.78 2.57 4.77 -1.05 -4.90 117.00 111.06 1yaj n LEU 232 Ca -0.03 -0.31 -0.38 0.00 -0.03 0.00 0.00 56.01 55.27 1yaj n LEU 232 Cb 0.78 -0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.70 1yaj n LEU 232 CO 0.47 0.21 0.08 -0.55 -1.33 0.00 0.00 177.39 176.27 1yaj s SER 233 N -2.50 6.67 0.50 -1.43 0.15 -0.90 -4.88 113.70 111.31 1yaj s SER 233 Ca 0.24 0.79 0.29 0.00 0.70 0.00 0.00 55.95 57.97 1yaj s SER 233 Cb 0.19 -2.24 1.20 0.00 -1.71 0.00 0.00 66.02 63.46 1yaj s SER 233 CO 0.53 0.18 1.93 -0.65 1.20 0.00 0.00 173.24 176.43 1yaj h PRO 234 N 5.76 0.00 -0.21 5.44 0.11 -1.82 -3.11 132.00 138.16 1yaj h PRO 234 Ca -0.46 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.47 1yaj h PRO 234 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1yaj h PRO 234 CO 0.69 0.11 -0.59 -0.07 -0.21 0.00 0.00 178.00 177.92 1yaj h LEU 235 N 0.00 0.79 -0.26 2.35 3.38 -1.81 -3.04 115.31 116.71 1yaj h LEU 235 Ca -0.00 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1yaj h LEU 235 Cb 0.59 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1yaj h LEU 235 CO 0.01 1.20 -0.06 0.00 0.09 0.00 0.00 178.44 179.68 1yaj n ALA 236 N -2.55 2.69 -1.66 1.53 0.00 -1.18 -4.85 120.51 114.50 1yaj n ALA 236 Ca -0.04 -0.26 -0.47 0.00 0.00 0.00 0.00 53.44 52.67 1yaj n ALA 236 Cb 0.64 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.84 2.28 -0.88 0.00 4.81 -1.15 -1.10 118.16 121.28 1yaj n LYS 237 Ca 0.17 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.43 1yaj n LYS 237 Cb 0.25 -2.77 0.00 0.00 0.02 0.00 0.00 35.03 32.53 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 7.37 -2.09 -0.00 3.14 4.13 -1.26 -4.95 115.26 121.60 1yaj n ASN 238 Ca 0.23 0.00 0.02 0.00 1.68 0.00 0.00 54.58 56.52 1yaj n ASN 238 Cb 0.33 -0.39 -0.04 0.00 -1.54 0.00 0.00 39.78 38.14 1yaj n ASN 238 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1yaj n LEU 239 N 0.00 0.00 -4.12 3.41 4.77 -0.26 -5.02 117.00 115.79 1yaj n LEU 239 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.81 1yaj n LEU 239 Cb 0.06 0.01 -0.12 0.00 -2.33 0.00 0.00 43.42 41.04 1yaj n LEU 239 CO 0.00 0.01 -0.44 0.72 -1.33 0.00 0.00 177.39 176.35 1yaj s PHE 240 N -2.34 1.01 0.00 -1.77 -0.71 -1.26 -4.79 117.98 108.13 1yaj s PHE 240 Ca -0.02 -0.43 0.00 0.00 -1.04 0.00 0.00 56.93 55.44 1yaj s PHE 240 Cb 0.03 -0.58 0.00 0.00 -1.21 0.00 0.00 43.02 41.26 1yaj s PHE 240 CO 0.21 0.01 0.77 0.72 -1.34 0.00 0.00 175.22 175.59 1yaj n HIS 241 N 1.56 0.00 -3.63 3.49 8.25 0.22 -4.98 115.22 120.12 1yaj n HIS 241 Ca -0.21 -0.27 -0.10 0.00 -0.26 0.00 0.00 57.72 56.88 1yaj n HIS 241 Cb 0.55 -0.03 -0.07 0.00 1.12 0.00 0.00 29.99 31.56 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 -0.55 0.56 0.14 -0.41 0.52 -1.23 -4.39 118.95 113.58 1yaj s ARG 242 Ca 0.00 0.61 0.07 0.00 -0.52 0.00 0.00 55.73 55.88 1yaj s ARG 242 Cb 0.00 0.27 -0.04 0.00 0.52 0.00 0.00 34.95 35.70 1yaj s ARG 242 CO 0.00 -0.08 -0.15 0.00 0.02 0.00 0.00 175.30 175.09 1yaj s ALA 243 N 0.13 1.63 -0.12 2.13 0.00 -0.57 -1.80 121.76 123.16 1yaj s ALA 243 Ca 0.02 -1.36 -0.04 0.00 0.00 0.00 0.00 51.96 50.58 1yaj s ALA 243 Cb -0.05 -0.10 0.06 0.00 0.00 0.00 0.00 23.12 23.04 1yaj s ALA 243 CO -0.05 0.13 0.22 0.42 0.00 0.00 0.00 175.76 176.48 1yaj s ILE 244 N -2.18 -0.35 -0.41 0.00 1.01 -0.04 -1.82 121.20 117.40 1yaj s ILE 244 Ca 0.11 0.27 -0.08 0.00 0.00 0.00 0.00 60.65 60.95 1yaj s ILE 244 Cb -0.05 -0.42 0.08 0.00 0.01 0.00 0.00 42.46 42.08 1yaj s ILE 244 CO 0.04 0.10 0.23 -0.44 0.00 0.00 0.00 174.94 174.87 1yaj s SER 245 N 2.37 5.56 -0.51 3.58 0.01 0.14 -2.63 113.70 122.22 1yaj s SER 245 Ca 0.03 -1.50 -0.23 0.00 1.31 0.00 0.00 55.95 55.55 1yaj s SER 245 Cb -0.12 -1.96 0.04 0.00 0.21 0.00 0.00 66.02 64.19 1yaj s SER 245 CO -0.08 -0.51 0.86 -1.61 0.41 0.00 0.00 173.24 172.31 1yaj s GLU 246 N 1.40 3.35 -0.56 12.44 2.02 0.19 -2.19 118.70 135.35 1yaj s GLU 246 Ca 0.03 -0.25 -0.17 0.00 0.02 0.00 0.00 54.97 54.60 1yaj s GLU 246 Cb -0.23 -4.01 0.02 0.00 0.10 0.00 0.00 34.13 30.02 1yaj s GLU 246 CO 0.02 -1.33 0.64 0.43 0.02 0.00 0.00 175.26 175.04 1yaj n SER 247 N 7.08 -6.67 0.00 -0.19 7.64 -0.19 -1.30 113.62 119.99 1yaj n SER 247 Ca 0.01 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1yaj n SER 247 Cb 0.48 -3.63 0.00 0.00 -1.01 0.00 0.00 64.21 60.05 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 -0.77 3.88 3.03 0.23 0.00 -1.26 -2.42 105.19 107.88 1yaj n GLY 248 Ca -0.04 -0.41 -0.17 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.09 0.00 0.25 1.61 0.24 -1.26 -3.79 118.33 115.29 1yaj n VAL 249 Ca 0.00 -2.17 0.14 0.00 -2.04 0.00 0.00 64.34 60.26 1yaj n VAL 249 Cb 0.00 1.12 0.58 0.00 -1.47 0.00 0.00 33.84 34.07 1yaj n VAL 249 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1yaj h ALA 250 N 2.00 1.03 0.00 2.33 0.00 -1.86 -2.92 119.26 119.84 1yaj h ALA 250 Ca -0.23 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 1yaj h ALA 250 Cb 1.12 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1yaj h ALA 250 CO 0.32 0.14 -0.18 -0.07 0.00 0.00 0.00 179.25 179.46 1yaj h LEU 251 N 0.00 0.00 -8.23 0.00 3.38 -1.97 -3.42 115.31 105.07 1yaj h LEU 251 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1yaj h LEU 251 Cb 0.62 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1yaj h LEU 251 CO 0.01 0.18 0.62 0.41 0.09 0.00 0.00 178.44 179.76 1yaj n THR 252 N -3.22 0.00 -0.18 0.22 -1.04 -1.10 -4.78 114.28 104.18 1yaj n THR 252 Ca 0.02 -0.49 -0.04 0.00 -2.04 0.00 0.00 64.05 61.49 1yaj n THR 252 Cb 0.50 -1.38 0.02 0.00 -1.82 0.00 0.00 70.33 67.65 1yaj n THR 252 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1yaj h SER 253 N 12.14 -0.97 -0.58 8.00 0.02 -1.89 -3.04 113.55 127.23 1yaj h SER 253 Ca 0.01 0.21 0.18 0.00 -0.84 0.00 0.00 61.79 61.35 1yaj h SER 253 Cb 1.04 0.50 -0.11 0.00 0.14 0.00 0.00 62.40 63.98 1yaj h SER 253 CO 1.19 -0.28 0.10 0.55 -1.14 0.00 0.00 176.83 177.25 1yaj n VAL 254 N -5.43 -0.24 -0.04 2.27 3.14 -1.26 0.85 118.33 117.62 1yaj n VAL 254 Ca 0.04 1.25 0.09 0.00 -2.96 0.00 0.00 64.34 62.76 1yaj n VAL 254 Cb 0.34 -1.88 0.28 0.00 -1.06 0.00 0.00 33.84 31.52 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 -4.61 3.55 -3.85 6.55 4.77 -1.15 -4.68 117.00 117.58 1yaj n LEU 255 Ca 0.16 -1.78 -0.26 0.00 -0.03 0.00 0.00 56.01 54.10 1yaj n LEU 255 Cb 0.54 -0.45 -0.17 0.00 -2.33 0.00 0.00 43.42 41.00 1yaj n LEU 255 CO -0.03 0.75 -0.42 -0.69 -1.33 0.00 0.00 177.39 175.67 1yaj s VAL 256 N -1.46 0.84 0.04 4.08 1.01 0.25 -1.57 120.40 123.59 1yaj s VAL 256 Ca 0.41 -0.28 -0.29 0.00 0.00 0.00 0.00 61.98 61.83 1yaj s VAL 256 Cb 0.24 -0.96 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 1yaj s VAL 256 CO 0.24 0.24 0.91 -0.54 0.00 0.00 0.00 175.10 175.96 1yaj s LYS 257 N 1.77 4.59 -0.08 2.72 -0.14 0.14 -4.85 119.74 123.89 1yaj s LYS 257 Ca 0.04 1.32 0.04 0.00 -1.36 0.00 0.00 55.97 56.01 1yaj s LYS 257 Cb -0.13 -3.41 -0.00 0.00 -1.68 0.00 0.00 37.83 32.61 1yaj s LYS 257 CO -0.07 0.12 -0.22 0.15 -0.76 0.00 0.00 175.35 174.57 1yaj s LYS 258 N 0.42 2.66 0.13 1.68 1.02 -1.26 -4.48 119.74 119.91 1yaj s LYS 258 Ca 0.46 -0.79 0.00 0.00 0.02 0.00 0.00 55.97 55.66 1yaj s LYS 258 Cb -0.22 -2.08 0.00 0.00 -0.52 0.00 0.00 37.83 35.01 1yaj s LYS 258 CO 0.27 0.20 0.00 0.41 -0.92 0.00 0.00 175.35 175.31 1yaj n GLY 259 N 3.43 -1.93 3.63 -3.33 0.00 -1.26 -4.87 105.19 100.86 1yaj n GLY 259 Ca -0.19 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.43 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 -3.69 5.97 0.00 1.61 2.15 -1.26 -4.83 116.67 116.62 1yaj s ASP 260 Ca 0.00 2.21 0.24 0.00 0.43 0.00 0.00 52.55 55.44 1yaj s ASP 260 Cb 0.00 -2.52 0.56 0.00 -0.30 0.00 0.00 42.92 40.66 1yaj s ASP 260 CO 0.00 -1.50 1.47 1.33 -0.17 0.00 0.00 175.17 176.29 1yaj n VAL 261 N 6.67 0.15 0.02 1.11 0.24 -1.26 -4.44 118.33 120.81 1yaj n VAL 261 Ca 0.24 -0.46 -0.10 0.00 -2.04 0.00 0.00 64.34 61.98 1yaj n VAL 261 Cb 0.43 0.93 -0.05 0.00 -1.47 0.00 0.00 33.84 33.69 1yaj n VAL 261 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1yaj h LYS 262 N 3.61 -0.09 -0.19 7.34 1.63 -1.83 -2.14 116.57 124.90 1yaj h LYS 262 Ca 0.00 0.01 0.06 0.00 -0.85 0.00 0.00 60.65 59.86 1yaj h LYS 262 Cb 0.78 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.42 1yaj h LYS 262 CO 0.00 -0.06 0.30 -1.35 -3.45 0.00 0.00 179.45 174.89 1yaj h PRO 263 N -0.09 0.00 0.04 1.90 0.11 -1.94 0.71 132.00 132.72 1yaj h PRO 263 Ca 0.05 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.00 1yaj h PRO 263 Cb 0.16 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.29 1yaj h PRO 263 CO -0.12 0.00 -0.67 1.25 -0.21 0.00 0.00 178.00 178.25 1yaj h LEU 264 N 0.00 0.52 -0.27 2.35 6.46 -1.69 -3.04 115.31 119.64 1yaj h LEU 264 Ca 0.09 -0.81 -0.02 0.00 -0.12 0.00 0.00 57.88 57.02 1yaj h LEU 264 Cb 0.69 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.45 1yaj h LEU 264 CO -0.00 1.27 0.10 0.00 -0.62 0.00 0.00 178.44 179.19 1yaj h ALA 265 N 0.26 0.35 -0.43 1.25 0.00 -0.67 -0.99 119.26 119.04 1yaj h ALA 265 Ca -0.09 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.74 1yaj h ALA 265 Cb 1.41 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 1yaj h ALA 265 CO 0.13 -0.04 0.17 0.93 0.00 0.00 0.00 179.25 180.44 1yaj h GLU 266 N 0.28 0.33 0.00 0.00 5.08 -1.26 0.44 114.58 119.46 1yaj h GLU 266 Ca 0.09 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1yaj h GLU 266 Cb 0.20 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1yaj h GLU 266 CO -0.01 0.22 0.00 0.94 -1.00 0.00 0.00 179.01 179.16 1yaj n GLN 267 N -4.99 0.16 0.01 2.33 7.27 -1.09 -0.25 117.38 120.83 1yaj n GLN 267 Ca 0.03 0.41 -0.22 0.00 0.07 0.00 0.00 57.00 57.29 1yaj n GLN 267 Cb 0.15 -1.82 -0.14 0.00 2.41 0.00 0.00 30.24 30.84 1yaj n GLN 267 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 1yaj h ILE 268 N 0.00 0.67 -0.12 1.69 2.04 0.45 -3.31 117.51 118.93 1yaj h ILE 268 Ca 0.00 -2.36 -0.03 0.00 1.00 0.00 0.00 64.86 63.47 1yaj h ILE 268 Cb 0.32 2.54 -0.00 0.00 -0.74 0.00 0.00 36.82 38.94 1yaj h ILE 268 CO 0.00 0.89 -0.03 0.00 0.00 0.00 0.00 178.15 179.01 1yaj h ALA 269 N 0.07 0.17 -0.95 1.87 0.00 0.33 -1.73 119.26 119.02 1yaj h ALA 269 Ca -0.41 -0.22 0.15 0.00 0.00 0.00 0.00 54.91 54.42 1yaj h ALA 269 Cb 2.03 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 19.69 1yaj h ALA 269 CO 0.10 -0.09 0.60 0.82 0.00 0.00 0.00 179.25 180.68 1yaj h ILE 270 N -0.07 0.83 -0.14 0.00 2.04 -0.77 0.52 117.51 119.92 1yaj h ILE 270 Ca 0.03 -0.27 -0.23 0.00 1.00 0.00 0.00 64.86 65.39 1yaj h ILE 270 Cb 0.44 -0.03 0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1yaj h ILE 270 CO 0.01 0.14 -0.80 0.74 0.00 0.00 0.00 178.15 178.24 1yaj h THR 271 N 0.79 1.28 0.00 -0.27 2.02 -1.62 -3.09 112.91 112.02 1yaj h THR 271 Ca 0.49 -2.00 -0.04 0.00 0.77 0.00 0.00 66.41 65.63 1yaj h THR 271 Cb 0.70 2.03 -0.01 0.00 -1.74 0.00 0.00 68.15 69.13 1yaj h THR 271 CO -0.25 0.63 -0.20 0.00 0.37 0.00 0.00 175.52 176.07 1yaj h ALA 272 N 0.53 1.60 0.00 6.16 0.00 -0.32 -3.46 119.26 123.77 1yaj h ALA 272 Ca -0.06 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1yaj h ALA 272 Cb 1.44 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1yaj h ALA 272 CO 0.17 0.25 0.00 0.41 0.00 0.00 0.00 179.25 180.08 1yaj n GLY 273 N -0.90 1.28 3.56 0.00 0.00 -0.14 -4.98 105.19 104.02 1yaj n GLY 273 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.60 2.38 -0.04 0.00 1.02 -1.26 -4.13 119.74 114.12 1yaj s LYS 275 Ca 0.31 0.24 0.06 0.00 0.02 0.00 0.00 55.97 56.60 1yaj s LYS 275 Cb -0.06 -2.00 0.09 0.00 -0.52 0.00 0.00 37.83 35.34 1yaj s LYS 275 CO 0.18 -1.31 1.03 0.25 -0.92 0.00 0.00 175.35 174.57 1yaj n THR 276 N -3.14 0.60 -0.32 2.17 -2.24 -1.26 -4.47 114.28 105.61 1yaj n THR 276 Ca 0.07 -0.72 -0.03 0.00 -2.27 0.00 0.00 64.05 61.11 1yaj n THR 276 Cb 0.59 0.29 0.02 0.00 -2.10 0.00 0.00 70.33 69.13 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 4.59 0.05 -4.89 4.28 2.02 -1.95 -3.43 112.91 113.59 1yaj h THR 277 Ca 0.00 0.00 -0.50 0.00 0.77 0.00 0.00 66.41 66.68 1yaj h THR 277 Cb 1.25 0.05 -0.13 0.00 -1.74 0.00 0.00 68.15 67.58 1yaj h THR 277 CO 0.00 0.00 -0.47 0.35 0.37 0.00 0.00 175.52 175.77 1yaj n THR 278 N -5.45 0.00 0.13 3.16 -2.24 -1.26 -5.04 114.28 103.58 1yaj n THR 278 Ca 0.08 -2.44 -0.12 0.00 -2.27 0.00 0.00 64.05 59.29 1yaj n THR 278 Cb 0.38 1.12 -0.08 0.00 -2.10 0.00 0.00 70.33 69.65 1yaj n THR 278 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 1yaj h SER 279 N 1.94 -0.30 -0.50 3.42 0.87 -1.97 -2.70 113.55 114.32 1yaj h SER 279 Ca -0.26 -0.22 0.07 0.00 -1.23 0.00 0.00 61.79 60.15 1yaj h SER 279 Cb 1.21 0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 63.19 1yaj h SER 279 CO 0.39 0.12 0.16 0.00 -0.53 0.00 0.00 176.83 176.97 1yaj h ALA 280 N -0.25 0.60 -0.95 6.23 0.00 -1.97 0.98 119.26 123.91 1yaj h ALA 280 Ca -0.04 0.07 0.17 0.00 0.00 0.00 0.00 54.91 55.12 1yaj h ALA 280 Cb 0.51 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.28 1yaj h ALA 280 CO 0.06 -0.24 0.60 0.28 0.00 0.00 0.00 179.25 179.95 1yaj h VAL 281 N 0.33 0.77 0.80 0.00 2.07 -1.96 -0.67 116.25 117.59 1yaj h VAL 281 Ca 0.24 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 1yaj h VAL 281 Cb 0.27 0.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1yaj h VAL 281 CO -0.26 0.12 -0.39 0.24 0.02 0.00 0.00 177.57 177.31 1yaj h MET 282 N 0.68 -1.04 -0.77 1.57 0.00 -0.47 -2.61 114.93 112.30 1yaj h MET 282 Ca 0.50 0.07 0.12 0.00 0.00 0.00 0.00 59.70 60.39 1yaj h MET 282 Cb 0.86 0.24 -0.05 0.00 0.00 0.00 0.00 31.60 32.64 1yaj h MET 282 CO -0.26 -0.68 0.50 0.28 0.00 0.00 0.00 176.91 176.75 1yaj h VAL 283 N -1.24 0.89 -0.68 -2.22 2.07 -1.04 -0.34 116.25 113.68 1yaj h VAL 283 Ca -0.11 -0.20 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 1yaj h VAL 283 Cb 0.84 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1yaj h VAL 283 CO 0.18 0.11 0.11 -0.74 0.02 0.00 0.00 177.57 177.25 1yaj h HIS 284 N 0.60 1.20 -0.04 1.57 -0.00 -1.09 -2.28 115.15 115.10 1yaj h HIS 284 Ca 0.36 -0.17 -0.19 0.00 -0.00 0.00 0.00 60.37 60.38 1yaj h HIS 284 Cb 0.60 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 27.67 1yaj h HIS 284 CO -0.00 1.00 -0.79 0.00 -0.00 0.00 0.00 177.93 178.13 1yaj n LEU 286 N -3.77 0.49 0.04 0.00 4.77 -0.26 -2.23 117.00 116.04 1yaj n LEU 286 Ca -0.04 0.58 -0.08 0.00 -0.03 0.00 0.00 56.01 56.44 1yaj n LEU 286 Cb 0.75 -0.47 -0.13 0.00 -2.33 0.00 0.00 43.42 41.24 1yaj n LEU 286 CO 0.48 -0.29 -0.06 0.03 -1.33 0.00 0.00 177.39 176.21 1yaj h ARG 287 N 0.00 0.02 0.00 3.23 3.08 -1.36 -3.30 114.38 116.06 1yaj h ARG 287 Ca 0.00 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 1yaj h ARG 287 Cb 0.49 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1yaj h ARG 287 CO 0.00 0.88 -0.26 1.96 -1.07 0.00 0.00 179.97 181.49 1yaj h GLN 288 N 0.01 0.00 -7.25 0.04 1.08 -1.43 -3.46 115.11 104.10 1yaj h GLN 288 Ca -0.10 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.58 1yaj h GLN 288 Cb 1.85 0.00 0.16 0.00 -0.05 0.00 0.00 27.48 29.45 1yaj h GLN 288 CO 0.12 0.26 0.30 0.15 -0.95 0.00 0.00 178.83 178.71 1yaj s LYS 289 N -3.49 1.71 0.43 1.46 -0.14 -1.10 -5.02 119.74 113.59 1yaj s LYS 289 Ca 0.02 1.50 -0.01 0.00 -1.36 0.00 0.00 55.97 56.12 1yaj s LYS 289 Cb 0.09 -1.81 -0.01 0.00 -1.68 0.00 0.00 37.83 34.42 1yaj s LYS 289 CO 0.66 -2.11 0.66 0.95 -0.76 0.00 0.00 175.35 174.75 1yaj s THR 290 N -2.52 4.39 0.21 2.17 -4.23 -1.26 -4.89 115.64 109.50 1yaj s THR 290 Ca 0.67 -0.38 -0.09 0.00 -1.18 0.00 0.00 61.69 60.70 1yaj s THR 290 Cb -0.23 -3.63 0.14 0.00 1.34 0.00 0.00 72.50 70.13 1yaj s THR 290 CO 0.53 -0.46 1.76 -0.08 -0.54 0.00 0.00 174.62 175.84 1yaj h GLU 291 N 0.45 0.48 -0.68 3.99 4.81 -1.98 0.14 114.58 121.79 1yaj h GLU 291 Ca -0.47 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 58.65 1yaj h GLU 291 Cb 1.24 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 1yaj h GLU 291 CO 0.59 0.32 0.13 0.93 -0.73 0.00 0.00 179.01 180.25 1yaj h GLU 292 N 0.49 1.12 -0.49 1.92 3.07 -1.97 0.74 114.58 119.46 1yaj h GLU 292 Ca 0.30 -0.29 -0.04 0.00 -0.50 0.00 0.00 59.36 58.84 1yaj h GLU 292 Cb 0.32 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.07 1yaj h GLU 292 CO -0.26 1.01 0.16 0.93 -1.40 0.00 0.00 179.01 179.45 1yaj h GLU 293 N 1.04 0.76 -0.22 2.33 5.08 -1.58 0.47 114.58 122.47 1yaj h GLU 293 Ca 0.21 -0.16 -0.14 0.00 -1.00 0.00 0.00 59.36 58.27 1yaj h GLU 293 Cb 0.42 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1yaj h GLU 293 CO 0.01 0.71 -0.44 -0.07 -1.00 0.00 0.00 179.01 178.21 1yaj h LEU 294 N 0.66 0.58 -0.44 1.33 3.38 -0.54 -1.38 115.31 118.90 1yaj h LEU 294 Ca 0.16 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1yaj h LEU 294 Cb 0.26 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1yaj h LEU 294 CO -0.01 0.94 -0.02 0.25 0.09 0.00 0.00 178.44 179.70 1yaj h LEU 295 N 0.43 0.77 -1.03 1.67 5.85 0.96 -0.99 115.31 122.97 1yaj h LEU 295 Ca 0.03 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1yaj h LEU 295 Cb 0.95 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.77 1yaj h LEU 295 CO 0.08 0.90 0.00 -0.33 -0.34 0.00 0.00 178.44 178.76 1yaj h GLU 296 N 0.62 0.00 0.07 1.25 5.08 0.14 -2.08 114.58 119.66 1yaj h GLU 296 Ca 0.12 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.21 1yaj h GLU 296 Cb 0.52 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1yaj h GLU 296 CO 0.03 0.00 -1.40 1.15 -1.00 0.00 0.00 179.01 177.78 1yaj h THR 297 N 0.00 1.27 0.00 1.13 2.02 -0.47 -2.96 112.91 113.90 1yaj h THR 297 Ca 0.00 -2.96 -0.03 0.00 0.77 0.00 0.00 66.41 64.18 1yaj h THR 297 Cb 0.39 2.73 -0.00 0.00 -1.74 0.00 0.00 68.15 69.53 1yaj h THR 297 CO 0.00 0.81 -0.17 0.74 0.37 0.00 0.00 175.52 177.27 1yaj h THR 298 N 0.04 0.66 0.00 3.16 2.02 -0.51 -1.86 112.91 116.41 1yaj h THR 298 Ca -0.18 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.29 1yaj h THR 298 Cb 1.95 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 69.80 1yaj h THR 298 CO 0.14 0.16 -1.00 0.18 0.37 0.00 0.00 175.52 175.37 1yaj n LEU 299 N -3.68 0.62 0.00 2.58 4.77 -1.03 -3.84 117.00 116.43 1yaj n LEU 299 Ca -0.02 0.06 0.12 0.00 -0.03 0.00 0.00 56.01 56.14 1yaj n LEU 299 Cb 0.29 -0.10 0.23 0.00 -2.33 0.00 0.00 43.42 41.50 1yaj n LEU 299 CO 0.32 0.00 0.42 0.29 -1.33 0.00 0.00 177.39 177.09 1yaj n LYS 300 N -2.07 0.02 0.04 3.23 5.02 -0.75 -3.81 118.16 119.84 1yaj n LYS 300 Ca 0.02 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.28 1yaj n LYS 300 Cb 0.45 -1.51 -0.08 0.00 -0.02 0.00 0.00 35.03 33.87 1yaj n LYS 300 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 1yaj h MET 301 N 0.00 0.00 -5.90 1.97 2.86 -1.52 -3.49 114.93 108.85 1yaj h MET 301 Ca 0.00 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.28 1yaj h MET 301 Cb 0.52 0.00 0.13 0.00 0.06 0.00 0.00 31.60 32.30 1yaj h MET 301 CO 0.00 0.49 -0.89 1.63 1.06 0.00 0.00 176.91 179.19 1yaj n LYS 302 N -3.06 -2.13 0.19 1.72 5.02 -1.25 -4.95 118.16 113.70 1yaj n LYS 302 Ca -0.08 0.64 0.14 0.00 -2.02 0.00 0.00 58.31 57.00 1yaj n LYS 302 Cb 0.89 -4.94 0.61 0.00 -0.02 0.00 0.00 35.03 31.56 1yaj n LYS 302 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 1yaj h PHE 303 N -1.57 0.00 0.00 2.13 0.05 -1.92 -3.36 116.94 112.26 1yaj h PHE 303 Ca -0.64 0.00 -0.12 0.00 3.82 0.00 0.00 57.97 61.03 1yaj h PHE 303 Cb 1.34 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 39.27 1yaj h PHE 303 CO 0.34 0.00 -1.43 -0.11 -0.18 0.00 0.00 178.31 176.93 1yaj n LEU 304 N -2.56 2.12 -4.62 1.54 7.94 -1.26 -4.89 117.00 115.27 1yaj n LEU 304 Ca 0.01 0.01 -0.49 0.00 -1.11 0.00 0.00 56.01 54.43 1yaj n LEU 304 Cb 0.23 -0.25 -0.04 0.00 0.53 0.00 0.00 43.42 43.88 1yaj n LEU 304 CO 0.21 0.46 0.93 -1.20 -1.11 0.00 0.00 177.39 176.69 1yaj n SER 305 N -2.94 2.07 -4.63 1.96 7.64 -1.26 -4.80 113.62 111.65 1yaj n SER 305 Ca -0.14 1.12 -0.28 0.00 1.01 0.00 0.00 58.87 60.58 1yaj n SER 305 Cb 0.63 -1.29 0.20 0.00 -1.01 0.00 0.00 64.21 62.74 1yaj n SER 305 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1yaj s LEU 306 N 0.55 1.35 -0.11 -3.43 2.96 -1.09 -5.04 118.68 113.87 1yaj s LEU 306 Ca 0.77 1.21 -0.02 0.00 -0.22 0.00 0.00 54.13 55.87 1yaj s LEU 306 Cb -0.81 -3.31 0.04 0.00 0.50 0.00 0.00 46.19 42.61 1yaj s LEU 306 CO 0.47 -3.42 0.03 -0.62 -1.32 0.00 0.00 176.35 171.49 1yaj s ASP 307 N -3.28 1.99 0.00 3.68 3.68 -1.26 -5.06 116.67 116.41 1yaj s ASP 307 Ca 0.66 -0.34 0.00 0.00 2.13 0.00 0.00 52.55 55.00 1yaj s ASP 307 Cb -0.20 -0.41 0.00 0.00 -1.45 0.00 0.00 42.92 40.87 1yaj s ASP 307 CO 0.59 -0.26 0.09 0.18 0.13 0.00 0.00 175.17 175.90 1yaj n LEU 308 N 5.17 1.70 -4.67 -1.34 4.77 -1.26 -4.91 117.00 116.46 1yaj n LEU 308 Ca -0.07 0.09 -0.32 0.00 -0.03 0.00 0.00 56.01 55.68 1yaj n LEU 308 Cb 0.49 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.74 1yaj n LEU 308 CO 0.10 0.00 0.68 0.00 -1.33 0.00 0.00 177.39 176.84 1yaj n GLN 309 N -0.37 -0.31 0.00 3.23 0.00 -1.26 -4.85 117.38 113.82 1yaj n GLN 309 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 57.00 56.98 1yaj n GLN 309 Cb 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 30.24 27.86 1yaj n GLN 309 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1yaj n GLY 310 N 0.37 0.76 3.74 2.61 0.00 -1.26 -4.95 105.19 106.47 1yaj n GLY 310 Ca 0.12 -1.99 -0.40 0.00 0.00 0.00 0.00 46.02 43.75 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 -0.39 7.29 0.36 1.61 -1.08 -1.26 -4.96 116.67 118.24 1yaj s ASP 311 Ca 0.00 1.54 0.10 0.00 -0.52 0.00 0.00 52.55 53.67 1yaj s ASP 311 Cb 0.00 -2.50 0.84 0.00 -1.46 0.00 0.00 42.92 39.80 1yaj s ASP 311 CO 0.00 -0.01 1.88 -0.65 0.52 0.00 0.00 175.17 176.91 1yaj h PRO 312 N 5.66 0.64 0.00 4.34 0.11 -1.92 -0.83 132.00 140.00 1yaj h PRO 312 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1yaj h PRO 312 Cb 1.21 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1yaj h PRO 312 CO 0.71 0.43 0.00 0.54 -0.21 0.00 0.00 178.00 179.47 1yaj n ARG 313 N -4.55 0.81 -0.00 1.05 1.74 -1.26 -2.38 116.66 112.06 1yaj n ARG 313 Ca 0.17 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.32 1yaj n ARG 313 Cb 0.47 -1.16 -0.10 0.00 -1.02 0.00 0.00 32.46 30.65 1yaj n ARG 313 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1yaj n GLU 314 N -0.66 1.18 -1.75 5.56 1.02 -0.32 -4.81 120.64 120.86 1yaj n GLU 314 Ca 0.06 -0.08 -0.18 0.00 -0.02 0.00 0.00 57.16 56.94 1yaj n GLU 314 Cb 0.03 -1.26 -0.07 0.00 -0.02 0.00 0.00 31.44 30.12 1yaj n GLU 314 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1yaj s SER 315 N -3.13 4.30 0.06 1.62 0.15 -1.00 -4.83 113.70 110.87 1yaj s SER 315 Ca -0.01 -0.36 -0.29 0.00 0.70 0.00 0.00 55.95 55.99 1yaj s SER 315 Cb 0.09 -2.56 -0.15 0.00 -1.71 0.00 0.00 66.02 61.69 1yaj s SER 315 CO 0.57 -3.56 0.71 0.00 1.20 0.00 0.00 173.24 172.15 1yaj n GLN 316 N 8.75 0.00 -0.86 5.44 -0.00 -1.26 -4.83 117.38 124.62 1yaj n GLN 316 Ca 0.44 0.00 -0.34 0.00 -0.00 0.00 0.00 57.00 57.10 1yaj n GLN 316 Cb 0.45 -1.07 0.09 0.00 -0.00 0.00 0.00 30.24 29.71 1yaj n GLN 316 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 1yaj n PRO 317 N 1.07 -0.35 -3.49 2.61 -0.02 -1.26 -4.92 135.00 128.64 1yaj n PRO 317 Ca 0.16 -0.08 -0.42 0.00 -2.02 0.00 0.00 63.50 61.13 1yaj n PRO 317 Cb 0.12 -1.49 -0.07 0.00 -0.02 0.00 0.00 33.50 32.04 1yaj n PRO 317 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1yaj s LEU 318 N 2.54 5.95 0.16 2.45 2.01 -1.26 -5.04 118.68 125.50 1yaj s LEU 318 Ca 0.50 -2.25 -0.21 0.00 0.01 0.00 0.00 54.13 52.18 1yaj s LEU 318 Cb -0.16 -2.06 -0.13 0.00 0.01 0.00 0.00 46.19 43.85 1yaj s LEU 318 CO 0.72 -0.63 0.38 0.00 1.01 0.00 0.00 176.35 177.83 1yaj n LEU 319 N 4.49 -1.04 0.00 1.79 -0.00 -1.26 -4.82 117.00 116.16 1yaj n LEU 319 Ca -0.01 0.86 0.00 0.00 -0.00 0.00 0.00 56.01 56.86 1yaj n LEU 319 Cb 0.42 -0.73 0.00 0.00 -0.00 0.00 0.00 43.42 43.11 1yaj n LEU 319 CO 0.41 -2.36 0.00 0.61 -0.00 0.00 0.00 177.39 176.05 1yaj n GLY 320 N 1.56 3.30 3.77 1.47 0.00 -1.26 -4.98 105.19 109.04 1yaj n GLY 320 Ca 0.14 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.96 2.25 0.07 2.61 2.01 -0.61 -4.67 115.64 116.35 1yaj s THR 321 Ca 0.00 0.23 0.01 0.00 0.31 0.00 0.00 61.69 62.24 1yaj s THR 321 Cb 0.00 -3.14 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 1yaj s THR 321 CO 0.00 0.04 -0.06 0.68 -0.69 0.00 0.00 174.62 174.59 1yaj s VAL 322 N -1.20 0.56 -0.91 3.82 -7.23 -1.26 0.27 120.40 114.43 1yaj s VAL 322 Ca 0.58 -1.66 -0.24 0.00 -1.81 0.00 0.00 61.98 58.85 1yaj s VAL 322 Cb -0.42 -1.33 0.05 0.00 0.56 0.00 0.00 36.38 35.24 1yaj s VAL 322 CO 0.55 -0.76 1.34 -0.63 -0.31 0.00 0.00 175.10 175.30 1yaj s ILE 323 N -3.03 3.97 -0.94 -0.62 -1.09 -1.26 -4.76 121.20 113.47 1yaj s ILE 323 Ca 0.05 -0.50 0.23 0.00 -2.23 0.00 0.00 60.65 58.20 1yaj s ILE 323 Cb 0.01 -4.97 -0.11 0.00 -1.58 0.00 0.00 42.46 35.81 1yaj s ILE 323 CO -0.04 -1.85 1.15 -0.90 -1.23 0.00 0.00 174.94 172.08 1yaj n ASP 324 N 8.72 0.71 -0.15 3.58 3.85 -1.17 -4.96 116.55 127.14 1yaj n ASP 324 Ca 0.22 -0.54 -0.02 0.00 -0.71 0.00 0.00 54.79 53.74 1yaj n ASP 324 Cb 0.50 0.63 -0.01 0.00 -1.35 0.00 0.00 41.12 40.89 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 1.48 0.55 1.37 6.12 0.00 0.34 -4.85 105.19 110.20 1yaj n GLY 325 Ca 0.04 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.73 0.00 -0.05 1.61 2.81 -1.26 -4.75 117.12 112.76 1yaj n MET 326 Ca -0.02 0.00 -0.16 0.00 -1.81 0.00 0.00 57.70 55.71 1yaj n MET 326 Cb 0.09 -0.10 -0.07 0.00 -0.71 0.00 0.00 33.22 32.43 1yaj n MET 326 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1yaj h LEU 327 N 0.00 0.82 -7.74 4.03 5.85 -1.93 -3.41 115.31 112.92 1yaj h LEU 327 Ca 0.00 -0.59 -0.32 0.00 0.84 0.00 0.00 57.88 57.81 1yaj h LEU 327 Cb 0.00 -0.24 -0.31 0.00 0.37 0.00 0.00 40.66 40.48 1yaj h LEU 327 CO 0.00 1.27 -0.75 -0.76 -0.34 0.00 0.00 178.44 177.87 1yaj s LEU 328 N -8.61 1.62 0.00 2.25 1.43 -1.26 -3.89 118.68 110.22 1yaj s LEU 328 Ca -0.11 -0.05 0.22 0.00 -1.03 0.00 0.00 54.13 53.15 1yaj s LEU 328 Cb 0.08 -0.22 -0.10 0.00 0.03 0.00 0.00 46.19 45.98 1yaj s LEU 328 CO 0.87 -0.02 0.96 0.18 0.23 0.00 0.00 176.35 178.56 1yaj n LEU 329 N 3.54 0.82 -3.58 1.79 4.77 -1.26 0.13 117.00 123.19 1yaj n LEU 329 Ca -0.20 -0.35 -0.08 0.00 -0.03 0.00 0.00 56.01 55.36 1yaj n LEU 329 Cb 0.55 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 1yaj n LEU 329 CO 0.24 0.19 0.57 -1.59 -1.33 0.00 0.00 177.39 175.48 1yaj s LYS 330 N -3.05 1.19 0.67 3.23 -2.85 -1.26 -4.72 119.74 112.94 1yaj s LYS 330 Ca 0.07 -0.53 -0.17 0.00 -1.00 0.00 0.00 55.97 54.34 1yaj s LYS 330 Cb 0.16 0.48 -0.02 0.00 -2.06 0.00 0.00 37.83 36.40 1yaj s LYS 330 CO 0.84 -0.53 1.01 0.25 0.10 0.00 0.00 175.35 177.02 1yaj n THR 331 N -0.36 3.48 -0.28 3.79 -2.24 -1.26 -4.68 114.28 112.73 1yaj n THR 331 Ca -0.10 -0.44 0.06 0.00 -2.27 0.00 0.00 64.05 61.30 1yaj n THR 331 Cb 0.62 -1.17 0.20 0.00 -2.10 0.00 0.00 70.33 67.89 1yaj n THR 331 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1yaj h PRO 332 N 0.10 0.54 -0.58 -0.78 0.11 -1.99 -1.92 132.00 127.48 1yaj h PRO 332 Ca -0.48 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.70 1yaj h PRO 332 Cb 1.35 -0.12 -0.11 0.00 0.11 0.00 0.00 31.00 32.22 1yaj h PRO 332 CO 0.49 0.36 -0.29 0.93 -0.21 0.00 0.00 178.00 179.29 1yaj h GLU 333 N 0.56 -0.13 0.76 1.05 3.07 -1.92 -0.58 114.58 117.40 1yaj h GLU 333 Ca 0.44 0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 59.27 1yaj h GLU 333 Cb 0.62 0.03 0.01 0.00 -0.84 0.00 0.00 28.75 28.57 1yaj h GLU 333 CO -0.37 -0.08 -0.37 0.93 -1.40 0.00 0.00 179.01 177.72 1yaj h GLU 334 N -0.13 -0.99 -0.94 2.33 5.08 -1.77 -3.22 114.58 114.94 1yaj h GLU 334 Ca 0.25 0.07 0.28 0.00 -1.00 0.00 0.00 59.36 58.96 1yaj h GLU 334 Cb 0.53 0.22 -0.15 0.00 0.50 0.00 0.00 28.75 29.85 1yaj h GLU 334 CO -0.66 -0.64 0.34 -0.07 -1.00 0.00 0.00 179.01 176.98 1yaj h LEU 335 N -1.23 0.13 0.00 1.33 3.38 -0.98 0.50 115.31 118.44 1yaj h LEU 335 Ca -0.10 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1yaj h LEU 335 Cb 0.80 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1yaj h LEU 335 CO 0.17 -0.20 0.00 0.00 0.09 0.00 0.00 178.44 178.50 1yaj n GLN 336 N -5.21 0.00 0.00 1.13 1.13 -0.26 -1.01 117.38 113.17 1yaj n GLN 336 Ca 0.26 0.00 0.11 0.00 -1.94 0.00 0.00 57.00 55.43 1yaj n GLN 336 Cb 0.84 -1.48 0.02 0.00 0.11 0.00 0.00 30.24 29.73 1yaj n GLN 336 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1yaj n ALA 337 N -0.96 3.22 -3.02 -1.58 0.00 0.17 -4.85 120.51 113.50 1yaj n ALA 337 Ca 0.00 -0.64 -0.45 0.00 0.00 0.00 0.00 53.44 52.36 1yaj n ALA 337 Cb 0.00 -0.75 -0.05 0.00 0.00 0.00 0.00 19.45 18.65 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 -2.24 3.05 -0.03 0.00 2.12 -0.18 -4.94 118.70 116.49 1yaj s GLU 338 Ca 0.20 -1.26 -0.21 0.00 0.36 0.00 0.00 54.97 54.05 1yaj s GLU 338 Cb 0.17 -4.21 -0.15 0.00 0.26 0.00 0.00 34.13 30.20 1yaj s GLU 338 CO 0.47 -1.37 0.94 0.00 -0.54 0.00 0.00 175.26 174.76 1yaj h ARG 339 N 9.05 -0.31 -5.37 4.30 -0.00 -1.88 -3.40 114.38 116.77 1yaj h ARG 339 Ca -0.29 0.02 -0.09 0.00 -0.50 0.00 0.00 59.98 59.12 1yaj h ARG 339 Cb 1.09 0.07 -0.01 0.00 0.00 0.00 0.00 29.97 31.12 1yaj h ARG 339 CO 1.03 0.05 0.24 -0.80 0.00 0.00 0.00 179.97 180.50 1yaj s ASN 340 N -5.28 4.09 -0.27 7.04 -0.87 -1.26 -4.79 114.94 113.60 1yaj s ASN 340 Ca -0.12 -0.48 -0.25 0.00 -1.57 0.00 0.00 52.86 50.43 1yaj s ASN 340 Cb 0.01 -2.57 0.11 0.00 -0.02 0.00 0.00 41.25 38.79 1yaj s ASN 340 CO 0.46 -3.84 0.97 0.12 -2.57 0.00 0.00 177.10 172.24 1yaj s PHE 341 N 14.23 -0.52 -0.44 2.20 5.36 -1.26 -5.11 117.98 132.44 1yaj s PHE 341 Ca 0.84 1.24 -0.41 0.00 -0.96 0.00 0.00 56.93 57.64 1yaj s PHE 341 Cb -0.09 0.35 -0.17 0.00 -0.34 0.00 0.00 43.02 42.78 1yaj s PHE 341 CO 0.09 -0.27 2.11 1.58 -1.46 0.00 0.00 175.22 177.27 1yaj n HIS 342 N 2.16 1.37 -4.46 10.12 -0.00 -1.26 -4.91 115.22 118.25 1yaj n HIS 342 Ca -0.13 0.63 -0.34 0.00 -0.00 0.00 0.00 57.72 57.88 1yaj n HIS 342 Cb 0.56 -2.37 -0.10 0.00 -0.00 0.00 0.00 29.99 28.08 1yaj n HIS 342 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 1yaj s THR 343 N 6.13 4.09 0.05 3.57 -4.23 -1.26 -5.07 115.64 118.91 1yaj s THR 343 Ca 1.15 -0.35 0.01 0.00 -1.18 0.00 0.00 61.69 61.32 1yaj s THR 343 Cb -1.28 -2.71 -0.03 0.00 1.34 0.00 0.00 72.50 69.82 1yaj s THR 343 CO 0.62 0.59 -0.06 0.68 -0.54 0.00 0.00 174.62 175.91 1yaj s VAL 344 N -0.87 0.43 0.14 2.29 -7.23 -1.26 -5.01 120.40 108.89 1yaj s VAL 344 Ca 0.13 -1.25 -0.35 0.00 -1.81 0.00 0.00 61.98 58.71 1yaj s VAL 344 Cb -0.11 -0.78 -0.15 0.00 0.56 0.00 0.00 36.38 35.89 1yaj s VAL 344 CO 0.02 -0.55 1.44 -2.65 -0.31 0.00 0.00 175.10 173.05 1yaj n PRO 345 N 1.12 1.68 -4.85 4.82 -0.02 -1.26 -4.72 135.00 131.77 1yaj n PRO 345 Ca -0.21 0.60 -0.27 0.00 -2.02 0.00 0.00 63.50 61.61 1yaj n PRO 345 Cb 0.56 -2.29 -0.16 0.00 -0.02 0.00 0.00 33.50 31.59 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 0.56 1.78 -0.32 6.00 6.04 -1.12 -1.52 117.35 128.77 1yaj s TYR 346 Ca 0.79 -0.57 0.03 0.00 0.04 0.00 0.00 57.07 57.37 1yaj s TYR 346 Cb -0.79 -1.21 0.09 0.00 -1.04 0.00 0.00 41.96 39.00 1yaj s TYR 346 CO 0.44 -0.21 0.01 1.41 -1.54 0.00 0.00 175.55 175.65 1yaj s MET 347 N 0.17 1.72 -0.33 4.97 -2.45 -0.76 -1.63 119.30 121.00 1yaj s MET 347 Ca -0.07 -1.72 -0.07 0.00 -1.25 0.00 0.00 55.69 52.58 1yaj s MET 347 Cb -0.13 -3.13 0.03 0.00 1.25 0.00 0.00 34.83 32.85 1yaj s MET 347 CO 0.03 -0.84 0.10 0.08 1.05 0.00 0.00 175.02 175.45 1yaj s VAL 348 N 0.97 3.85 0.36 10.11 1.01 -0.99 0.26 120.40 135.97 1yaj s VAL 348 Ca 0.05 -1.03 0.06 0.00 0.00 0.00 0.00 61.98 61.06 1yaj s VAL 348 Cb -0.19 -3.14 -0.07 0.00 0.00 0.00 0.00 36.38 32.98 1yaj s VAL 348 CO -0.07 -0.13 0.01 -0.83 0.00 0.00 0.00 175.10 174.08 1yaj s GLY 349 N 1.43 2.25 0.14 4.51 0.00 -0.93 -3.71 107.32 111.01 1yaj s GLY 349 Ca -0.01 -2.15 -0.04 0.00 0.00 0.00 0.00 44.72 42.52 1yaj s GLY 349 CO 0.03 -1.97 0.13 -0.26 0.00 0.00 0.00 173.10 171.03 1yaj s ILE 350 N -2.93 0.09 -0.00 0.90 -4.36 -0.42 -1.03 121.20 113.44 1yaj s ILE 350 Ca 0.35 -1.74 -0.01 0.00 -0.26 0.00 0.00 60.65 58.99 1yaj s ILE 350 Cb 0.08 -1.99 -0.04 0.00 1.25 0.00 0.00 42.46 41.77 1yaj s ILE 350 CO 0.16 -0.40 0.10 0.20 0.24 0.00 0.00 174.94 175.24 1yaj s ASN 351 N -3.02 5.77 0.23 4.36 0.02 -1.26 -1.22 114.94 119.82 1yaj s ASN 351 Ca 0.22 0.17 -0.14 0.00 -1.02 0.00 0.00 52.86 52.09 1yaj s ASN 351 Cb 0.06 -1.68 0.27 0.00 0.02 0.00 0.00 41.25 39.92 1yaj s ASN 351 CO 0.01 0.27 1.59 0.50 0.02 0.00 0.00 177.10 179.49 1yaj h LYS 352 N 4.02 -0.04 -2.85 -0.60 1.63 -1.18 -3.15 116.57 114.39 1yaj h LYS 352 Ca -0.49 0.00 -0.62 0.00 -0.85 0.00 0.00 60.65 58.70 1yaj h LYS 352 Cb 1.18 0.01 -0.42 0.00 -0.60 0.00 0.00 32.23 32.40 1yaj h LYS 352 CO 0.63 -0.03 -0.55 1.04 -3.45 0.00 0.00 179.45 177.09 1yaj n GLN 353 N -5.49 2.07 -0.00 1.90 6.02 0.21 -4.94 117.38 117.15 1yaj n GLN 353 Ca 0.09 -4.55 -0.10 0.00 -0.01 0.00 0.00 57.00 52.43 1yaj n GLN 353 Cb 0.39 -2.29 -0.05 0.00 1.02 0.00 0.00 30.24 29.31 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 5.07 0.05 -0.95 -1.09 4.39 -1.68 -0.96 114.58 119.41 1yaj h GLU 354 Ca 0.16 -0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.69 1yaj h GLU 354 Cb 0.73 -0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 29.26 1yaj h GLU 354 CO 0.76 0.04 0.22 0.34 -1.16 0.00 0.00 179.01 179.21 1yaj n PHE 355 N -5.10 1.30 0.00 4.33 -0.00 -1.26 -3.42 117.46 113.31 1yaj n PHE 355 Ca -0.05 -0.91 0.00 0.00 -0.00 0.00 0.00 57.45 56.49 1yaj n PHE 355 Cb 0.06 -0.50 0.00 0.00 -0.00 0.00 0.00 39.48 39.05 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 -0.11 -3.12 1.39 7.13 0.00 -0.37 -4.74 105.19 105.38 1yaj n GLY 356 Ca 0.24 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 -0.92 0.00 -0.00 1.61 -0.00 -1.26 -4.90 117.44 111.97 1yaj n TRP 357 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1yaj n TRP 357 Cb 0.00 0.23 -0.00 0.00 -0.00 0.00 0.00 31.31 31.54 1yaj n TRP 357 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 1yaj h LEU 358 N 0.00 -0.05 -0.02 5.87 5.85 -1.89 -0.32 115.31 124.75 1yaj h LEU 358 Ca 0.00 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1yaj h LEU 358 Cb 0.50 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.50 1yaj h LEU 358 CO 0.00 -0.01 -0.49 0.40 -0.34 0.00 0.00 178.44 178.00 1yaj h ILE 359 N -0.01 0.07 -0.77 4.05 2.04 -1.91 -1.41 117.51 119.57 1yaj h ILE 359 Ca 0.00 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.00 1yaj h ILE 359 Cb 0.02 0.07 -0.09 0.00 -0.74 0.00 0.00 36.82 36.07 1yaj h ILE 359 CO -0.01 0.00 0.35 -0.65 0.00 0.00 0.00 178.15 177.83 1yaj h PRO 360 N -0.62 0.50 -0.85 2.37 0.11 -1.84 -2.08 132.00 129.59 1yaj h PRO 360 Ca 0.03 -0.03 0.22 0.00 0.11 0.00 0.00 66.00 66.33 1yaj h PRO 360 Cb 0.69 -0.11 -0.14 0.00 0.11 0.00 0.00 31.00 31.55 1yaj h PRO 360 CO -0.36 0.33 0.17 1.98 -0.21 0.00 0.00 178.00 179.92 1yaj h MET 361 N 0.52 0.18 0.04 1.05 4.05 0.08 -0.79 114.93 120.06 1yaj h MET 361 Ca 0.42 -0.01 -0.11 0.00 -0.28 0.00 0.00 59.70 59.72 1yaj h MET 361 Cb 0.60 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.36 1yaj h MET 361 CO -0.37 0.12 -0.52 -0.07 0.23 0.00 0.00 176.91 176.29 1yaj h LEU 363 N 0.18 0.14 0.00 3.39 3.38 -1.18 -3.29 115.31 117.93 1yaj h LEU 363 Ca 0.51 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1yaj h LEU 363 Cb 1.00 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1yaj h LEU 363 CO -0.66 1.23 0.00 0.23 0.09 0.00 0.00 178.44 179.33 1yaj n MET 364 N -4.41 0.00 -3.21 1.13 2.81 -0.84 -4.82 117.12 107.78 1yaj n MET 364 Ca -0.16 0.38 -0.15 0.00 -1.81 0.00 0.00 57.70 55.96 1yaj n MET 364 Cb 0.63 -1.50 0.07 0.00 -0.71 0.00 0.00 33.22 31.71 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 -1.38 -3.93 -4.77 7.83 7.64 -0.35 -2.66 113.62 116.00 1yaj n SER 365 Ca 0.00 -0.60 -0.39 0.00 1.01 0.00 0.00 58.87 58.89 1yaj n SER 365 Cb 0.00 -4.77 -0.02 0.00 -1.01 0.00 0.00 64.21 58.41 1yaj n SER 365 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1yaj s TYR 366 N -3.34 3.16 -0.48 1.43 5.04 -0.97 -4.85 117.35 117.34 1yaj s TYR 366 Ca 0.19 1.55 0.00 0.00 -2.44 0.00 0.00 57.07 56.37 1yaj s TYR 366 Cb -0.02 -3.43 0.00 0.00 0.35 0.00 0.00 41.96 38.85 1yaj s TYR 366 CO 0.67 -1.28 0.08 -2.30 -1.34 0.00 0.00 175.55 171.38 1yaj n PRO 367 N 0.44 0.11 -1.81 4.97 -0.02 -1.26 -4.47 135.00 132.96 1yaj n PRO 367 Ca 0.02 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.13 1yaj n PRO 367 Cb 0.45 -1.26 -0.02 0.00 -0.02 0.00 0.00 33.50 32.65 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 0.71 7.84 -0.07 2.45 4.77 -1.26 -4.40 117.00 127.03 1yaj n LEU 368 Ca 0.00 -4.66 -0.07 0.00 -0.03 0.00 0.00 56.01 51.25 1yaj n LEU 368 Cb 0.04 -1.37 -0.12 0.00 -2.33 0.00 0.00 43.42 39.64 1yaj n LEU 368 CO 0.00 2.01 -0.99 -1.54 -1.33 0.00 0.00 177.39 175.54 1yaj n SER 369 N 1.85 1.23 0.23 -1.43 3.41 -1.26 -4.47 113.62 113.19 1yaj n SER 369 Ca 0.62 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 59.30 1yaj n SER 369 Cb 0.31 0.90 0.55 0.00 -0.26 0.00 0.00 64.21 65.70 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 0.00 0.00 0.00 4.33 5.08 -1.99 -3.46 114.58 118.54 1yaj h GLU 370 Ca -0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1yaj h GLU 370 Cb 1.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.17 1yaj h GLU 370 CO 0.02 0.16 0.00 0.41 -1.00 0.00 0.00 179.01 178.60 1yaj n GLY 371 N -1.00 3.41 3.34 -3.84 0.00 -1.26 -5.01 105.19 100.83 1yaj n GLY 371 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 1yaj n GLY 371 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1yaj s GLN 372 N -0.83 1.58 -0.22 1.61 0.00 -1.26 -4.68 119.66 115.85 1yaj s GLN 372 Ca 0.00 -1.90 -0.20 0.00 -0.00 0.00 0.00 55.36 53.26 1yaj s GLN 372 Cb 0.00 -0.14 0.06 0.00 0.00 0.00 0.00 33.01 32.93 1yaj s GLN 372 CO 0.00 -0.43 0.59 -1.17 0.00 0.00 0.00 175.29 174.28 1yaj s LEU 373 N -3.37 -0.28 0.49 2.60 2.96 0.11 -4.89 118.68 116.29 1yaj s LEU 373 Ca 0.36 1.20 0.07 0.00 -0.22 0.00 0.00 54.13 55.53 1yaj s LEU 373 Cb 0.05 2.03 0.01 0.00 0.50 0.00 0.00 46.19 48.79 1yaj s LEU 373 CO 0.17 -0.21 0.37 1.51 -1.32 0.00 0.00 176.35 176.87 1yaj s ASP 374 N 0.36 4.73 0.08 3.68 -4.77 -1.26 -4.51 116.67 114.99 1yaj s ASP 374 Ca -0.00 -1.06 -0.31 0.00 -3.30 0.00 0.00 52.55 47.87 1yaj s ASP 374 Cb -0.04 -0.03 -0.16 0.00 -1.09 0.00 0.00 42.92 41.61 1yaj s ASP 374 CO 0.00 -0.89 1.62 1.56 0.70 0.00 0.00 175.17 178.17 1yaj h GLN 375 N 0.93 -0.75 -0.43 2.11 1.08 -1.98 0.47 115.11 116.55 1yaj h GLN 375 Ca -0.39 0.05 0.05 0.00 -1.45 0.00 0.00 58.65 56.91 1yaj h GLN 375 Cb 1.28 0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 28.86 1yaj h GLN 375 CO 0.59 -0.50 0.29 0.87 -0.95 0.00 0.00 178.83 179.13 1yaj h LYS 376 N -0.77 0.36 0.00 1.46 1.57 -2.01 -1.53 116.57 115.64 1yaj h LYS 376 Ca -0.05 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1yaj h LYS 376 Cb 0.65 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1yaj h LYS 376 CO 0.03 0.24 -0.88 1.15 -0.57 0.00 0.00 179.45 179.42 1yaj h THR 377 N 0.37 0.00 0.27 -0.16 2.02 -1.93 -3.26 112.91 110.21 1yaj h THR 377 Ca 0.18 -0.98 -0.01 0.00 0.77 0.00 0.00 66.41 66.37 1yaj h THR 377 Cb 0.26 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.21 1yaj h THR 377 CO -0.04 0.00 -0.13 0.00 0.37 0.00 0.00 175.52 175.72 1yaj h ALA 378 N 2.02 -0.36 -0.72 6.16 0.00 0.98 -2.62 119.26 124.72 1yaj h ALA 378 Ca 0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1yaj h ALA 378 Cb 0.99 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1yaj h ALA 378 CO 0.00 -0.46 0.27 0.52 0.00 0.00 0.00 179.25 179.58 1yaj h MET 379 N -0.84 1.10 -0.17 0.00 2.86 -1.64 0.57 114.93 116.80 1yaj h MET 379 Ca -0.04 -0.21 0.05 0.00 -2.06 0.00 0.00 59.70 57.44 1yaj h MET 379 Cb 0.51 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1yaj h MET 379 CO 0.06 0.91 0.19 1.03 1.06 0.00 0.00 176.91 180.17 1yaj h SER 380 N 1.05 0.00 0.00 1.22 0.87 -1.62 -1.73 113.55 113.33 1yaj h SER 380 Ca 0.24 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1yaj h SER 380 Cb 0.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1yaj h SER 380 CO -0.02 0.00 -0.37 0.25 -0.53 0.00 0.00 176.83 176.17 1yaj h LEU 381 N 0.00 0.00 -1.24 2.23 6.46 -0.75 -3.21 115.31 118.80 1yaj h LEU 381 Ca 0.08 0.00 0.07 0.00 -0.12 0.00 0.00 57.88 57.92 1yaj h LEU 381 Cb 0.46 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.38 1yaj h LEU 381 CO -0.00 0.63 0.71 0.25 -0.62 0.00 0.00 178.44 179.41 1yaj h LEU 382 N -0.89 0.00 0.02 2.25 5.85 -0.79 0.86 115.31 122.60 1yaj h LEU 382 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1yaj h LEU 382 Cb 0.37 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1yaj h LEU 382 CO 0.00 0.00 -0.01 -0.25 -0.34 0.00 0.00 178.44 177.84 1yaj h TRP 383 N 0.00 -0.02 0.00 1.25 -0.00 -1.46 -3.10 115.95 112.62 1yaj h TRP 383 Ca 0.12 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.01 1yaj h TRP 383 Cb 1.53 0.01 0.00 0.00 -0.00 0.00 0.00 29.16 30.70 1yaj h TRP 383 CO 0.00 0.73 0.00 1.63 -0.00 0.00 0.00 178.44 180.80 1yaj n LYS 384 N -4.69 0.39 -0.48 2.65 5.02 0.29 -1.62 118.16 119.72 1yaj n LYS 384 Ca -0.08 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.29 1yaj n LYS 384 Cb 0.37 -1.16 0.27 0.00 -0.02 0.00 0.00 35.03 34.49 1yaj n LYS 384 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1yaj n SER 385 N -0.66 4.09 -0.08 4.39 7.64 -0.59 -4.71 113.62 123.69 1yaj n SER 385 Ca 0.03 -2.70 -0.09 0.00 1.01 0.00 0.00 58.87 57.12 1yaj n SER 385 Cb 0.01 -0.51 -0.02 0.00 -1.01 0.00 0.00 64.21 62.68 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 2.52 -0.91 0.00 1.43 3.20 -1.44 0.18 116.97 121.94 1yaj h TYR 386 Ca 0.00 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1yaj h TYR 386 Cb 1.37 0.45 0.00 0.00 1.54 0.00 0.00 36.73 40.09 1yaj h TYR 386 CO 0.57 -0.39 0.00 -0.35 -1.64 0.00 0.00 178.16 176.35 1yaj n PRO 387 N -5.41 0.30 0.00 1.82 -0.04 -1.26 -0.24 135.00 130.16 1yaj n PRO 387 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1yaj n PRO 387 Cb 0.33 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 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 -0.35 1.83 -0.04 1.53 4.77 0.45 -4.87 117.00 120.33 1yaj n LEU 388 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 1yaj n LEU 388 Cb 0.01 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 1yaj n LEU 388 CO 0.00 0.28 -0.74 1.33 -1.33 0.00 0.00 177.39 176.94 1yaj n VAL 389 N -2.46 0.45 -2.47 4.08 0.24 -0.22 -4.76 118.33 113.19 1yaj n VAL 389 Ca 0.00 -0.23 -0.02 0.00 -2.04 0.00 0.00 64.34 62.06 1yaj n VAL 389 Cb 0.40 -0.81 0.00 0.00 -1.47 0.00 0.00 33.84 31.97 1yaj n VAL 389 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1yaj s ILE 391 N -2.69 0.55 0.30 0.00 1.01 -1.26 -5.08 121.20 114.02 1yaj s ILE 391 Ca 0.05 -0.55 -0.27 0.00 0.00 0.00 0.00 60.65 59.88 1yaj s ILE 391 Cb -0.01 -1.04 -0.14 0.00 0.01 0.00 0.00 42.46 41.28 1yaj s ILE 391 CO 0.49 -0.19 0.80 0.00 0.00 0.00 0.00 174.94 176.04 1yaj n ALA 392 N 5.04 -1.12 0.30 9.38 0.00 -1.26 -4.71 120.51 128.15 1yaj n ALA 392 Ca -0.09 0.35 0.19 0.00 0.00 0.00 0.00 53.44 53.90 1yaj n ALA 392 Cb 0.47 -1.87 0.98 0.00 0.00 0.00 0.00 19.45 19.03 1yaj n ALA 392 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1yaj h LYS 393 N 1.49 0.00 0.00 0.00 3.64 -1.97 -1.64 116.57 118.10 1yaj h LYS 393 Ca -0.37 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1yaj h LYS 393 Cb 1.38 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 1yaj h LYS 393 CO 0.58 0.00 0.00 0.93 -2.27 0.00 0.00 179.45 178.69 1yaj h GLU 394 N 0.00 0.00 0.00 1.90 5.08 -2.04 -3.14 114.58 116.38 1yaj h GLU 394 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1yaj h GLU 394 Cb 0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1yaj h GLU 394 CO 0.00 0.00 -1.52 1.28 -1.00 0.00 0.00 179.01 177.77 1yaj n LEU 395 N -2.35 0.00 -0.35 1.33 4.77 -0.65 -4.69 117.00 115.07 1yaj n LEU 395 Ca 0.03 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.04 1yaj n LEU 395 Cb 0.32 0.04 0.09 0.00 -2.33 0.00 0.00 43.42 41.54 1yaj n LEU 395 CO 0.25 0.04 0.64 0.40 -1.33 0.00 0.00 177.39 177.39 1yaj h ILE 396 N 0.00 0.04 -0.80 -0.08 1.08 -1.42 0.24 117.51 116.57 1yaj h ILE 396 Ca -0.05 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.57 1yaj h ILE 396 Cb 0.69 0.04 -0.10 0.00 -3.07 0.00 0.00 36.82 34.38 1yaj h ILE 396 CO 0.00 0.00 0.37 -0.65 -0.69 0.00 0.00 178.15 177.18 1yaj h PRO 397 N -0.01 0.51 0.00 2.37 0.11 -1.84 -1.67 132.00 131.47 1yaj h PRO 397 Ca 0.40 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.48 1yaj h PRO 397 Cb 0.65 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.65 1yaj h PRO 397 CO -0.97 0.34 0.00 0.39 -0.21 0.00 0.00 178.00 177.55 1yaj n GLU 398 N -4.94 0.00 -0.12 1.05 1.02 0.84 -1.45 120.64 117.03 1yaj n GLU 398 Ca 0.16 0.58 -0.08 0.00 -0.02 0.00 0.00 57.16 57.80 1yaj n GLU 398 Cb 0.43 -1.46 -0.02 0.00 -0.02 0.00 0.00 31.44 30.37 1yaj n GLU 398 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1yaj h ALA 399 N -1.77 -0.24 -1.02 0.62 0.00 -1.42 0.11 119.26 115.52 1yaj h ALA 399 Ca 0.00 0.10 0.26 0.00 0.00 0.00 0.00 54.91 55.27 1yaj h ALA 399 Cb 0.00 0.76 -0.08 0.00 0.00 0.00 0.00 17.79 18.47 1yaj h ALA 399 CO 0.00 -0.76 0.68 1.15 0.00 0.00 0.00 179.25 180.32 1yaj h THR 400 N -0.27 0.54 -0.22 0.00 2.02 -1.30 0.11 112.91 113.79 1yaj h THR 400 Ca 0.17 -0.12 -0.06 0.00 0.77 0.00 0.00 66.41 67.17 1yaj h THR 400 Cb 0.55 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1yaj h THR 400 CO -0.56 0.06 -0.08 -0.08 0.37 0.00 0.00 175.52 175.24 1yaj h GLU 401 N 0.34 0.45 -0.22 6.66 4.57 0.36 -1.53 114.58 125.20 1yaj h GLU 401 Ca 0.56 -0.18 0.05 0.00 -1.18 0.00 0.00 59.36 58.61 1yaj h GLU 401 Cb 1.54 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 30.06 1yaj h GLU 401 CO -0.23 0.71 -0.10 -0.22 -1.18 0.00 0.00 179.01 177.99 1yaj h LYS 402 N 0.17 -0.07 0.05 1.92 1.63 -0.34 0.05 116.57 119.97 1yaj h LYS 402 Ca 0.05 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1yaj h LYS 402 Cb 0.56 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.20 1yaj h LYS 402 CO 0.03 -0.05 -0.02 1.88 -3.45 0.00 0.00 179.45 177.84 1yaj h TYR 403 N -0.07 -0.06 -0.01 1.91 -1.99 -1.51 -3.38 116.97 111.85 1yaj h TYR 403 Ca 0.12 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.85 1yaj h TYR 403 Cb 0.25 0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.00 1yaj h TYR 403 CO -0.27 -0.04 0.00 1.28 -0.00 0.00 0.00 178.16 179.13 1yaj n LEU 404 N -4.11 0.22 0.16 3.88 4.32 -0.58 -3.81 117.00 117.09 1yaj n LEU 404 Ca -0.01 -0.09 0.13 0.00 -0.02 0.00 0.00 56.01 56.03 1yaj n LEU 404 Cb 0.03 -0.01 0.51 0.00 -1.62 0.00 0.00 43.42 42.32 1yaj n LEU 404 CO 0.02 0.04 0.89 1.23 -1.22 0.00 0.00 177.39 178.35 1yaj h GLY 405 N 5.21 0.00 0.00 -0.72 0.00 -1.04 -3.43 103.07 103.09 1yaj h GLY 405 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1yaj h GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1yaj n GLY 406 N 0.26 -2.11 2.95 4.60 0.00 -1.25 -4.87 105.19 104.77 1yaj n GLY 406 Ca 0.02 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 1yaj n GLY 406 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1yaj n THR 407 N 0.00 0.00 -1.36 2.61 -2.24 -1.26 -4.86 114.28 107.18 1yaj n THR 407 Ca 0.00 -0.45 -0.32 0.00 -2.27 0.00 0.00 64.05 61.01 1yaj n THR 407 Cb 0.00 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.33 1yaj n THR 407 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1yaj n ASP 408 N 2.31 6.70 -4.61 3.42 8.00 -1.26 -4.92 116.55 126.20 1yaj n ASP 408 Ca 0.07 -3.75 -0.34 0.00 0.71 0.00 0.00 54.79 51.47 1yaj n ASP 408 Cb 0.43 -0.91 -0.11 0.00 -0.02 0.00 0.00 41.12 40.52 1yaj n ASP 408 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1yaj s ASP 409 N -1.85 4.92 0.48 -2.24 2.15 -1.26 -5.02 116.67 113.85 1yaj s ASP 409 Ca 0.62 0.03 0.30 0.00 0.43 0.00 0.00 52.55 53.93 1yaj s ASP 409 Cb 0.50 -1.42 1.06 0.00 -0.30 0.00 0.00 42.92 42.76 1yaj s ASP 409 CO 0.02 0.33 1.86 0.71 -0.17 0.00 0.00 175.17 177.92 1yaj h THR 410 N 4.39 0.00 0.00 1.71 1.35 -1.93 -2.98 112.91 115.45 1yaj h THR 410 Ca -0.46 -0.60 -0.01 0.00 -0.55 0.00 0.00 66.41 64.79 1yaj h THR 410 Cb 1.18 1.58 -0.00 0.00 -1.73 0.00 0.00 68.15 69.18 1yaj h THR 410 CO 0.55 0.00 -0.23 0.58 -0.25 0.00 0.00 175.52 176.17 1yaj h VAL 411 N 0.00 0.18 -1.01 6.82 2.07 -1.85 0.32 116.25 122.77 1yaj h VAL 411 Ca 0.00 -1.15 0.26 0.00 0.82 0.00 0.00 66.70 66.63 1yaj h VAL 411 Cb 0.63 0.35 -0.07 0.00 -1.52 0.00 0.00 31.29 30.68 1yaj h VAL 411 CO 0.00 0.06 0.68 0.11 0.02 0.00 0.00 177.57 178.44 1yaj h LYS 412 N -1.00 0.27 -0.23 1.57 1.57 -1.93 0.12 116.57 116.94 1yaj h LYS 412 Ca -0.02 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1yaj h LYS 412 Cb 0.31 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1yaj h LYS 412 CO -0.01 0.18 0.09 0.87 -0.57 0.00 0.00 179.45 180.00 1yaj h LYS 413 N 0.28 0.19 0.08 3.15 1.57 -1.65 -0.16 116.57 120.02 1yaj h LYS 413 Ca 0.53 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.31 1yaj h LYS 413 Cb 1.57 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.81 1yaj h LYS 413 CO -0.18 0.13 -0.34 -0.22 -0.57 0.00 0.00 179.45 178.27 1yaj h LYS 414 N 0.20 -0.47 -0.93 3.15 3.64 -0.82 0.70 116.57 122.05 1yaj h LYS 414 Ca 0.10 0.03 0.26 0.00 -1.27 0.00 0.00 60.65 59.77 1yaj h LYS 414 Cb 0.06 0.11 -0.14 0.00 -0.41 0.00 0.00 32.23 31.84 1yaj h LYS 414 CO -0.09 -0.31 0.37 -0.44 -2.27 0.00 0.00 179.45 176.71 1yaj h ASP 415 N -0.48 0.21 -0.26 4.20 3.32 -1.36 0.29 116.42 122.34 1yaj h ASP 415 Ca -0.00 0.19 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 1yaj h ASP 415 Cb 0.49 0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 1yaj h ASP 415 CO -0.19 -0.13 0.02 -0.07 -1.72 0.00 0.00 179.24 177.16 1yaj h LEU 416 N 0.27 0.42 -2.08 1.55 3.38 0.65 -1.03 115.31 118.47 1yaj h LEU 416 Ca 0.62 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 58.37 1yaj h LEU 416 Cb 1.31 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1yaj h LEU 416 CO -0.63 0.60 0.17 0.15 0.09 0.00 0.00 178.44 178.83 1yaj h PHE 417 N 0.23 0.00 0.09 1.13 3.57 0.38 0.47 116.94 122.81 1yaj h PHE 417 Ca 0.08 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 1yaj h PHE 417 Cb 0.37 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.11 1yaj h PHE 417 CO 0.03 0.00 -0.04 -0.07 -2.23 0.00 0.00 178.31 175.99 1yaj h LEU 418 N 0.00 -0.10 -2.22 0.59 3.38 -0.32 -2.11 115.31 114.53 1yaj h LEU 418 Ca 0.10 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 1yaj h LEU 418 Cb 0.45 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1yaj h LEU 418 CO -0.00 0.50 -0.02 0.44 0.09 0.00 0.00 178.44 179.45 1yaj h ASP 419 N -0.79 0.00 -0.28 -0.43 3.32 -0.49 0.54 116.42 118.29 1yaj h ASP 419 Ca -0.01 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1yaj h ASP 419 Cb 0.58 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 1yaj h ASP 419 CO 0.02 0.02 0.12 0.25 -1.72 0.00 0.00 179.24 177.93 1yaj h LEU 420 N 0.00 0.39 -0.17 1.55 7.12 0.05 -0.71 115.31 123.54 1yaj h LEU 420 Ca -0.00 -0.16 -0.05 0.00 0.13 0.00 0.00 57.88 57.80 1yaj h LEU 420 Cb 0.05 -0.10 -0.00 0.00 -0.53 0.00 0.00 40.66 40.07 1yaj h LEU 420 CO 0.00 0.44 -0.09 0.40 -0.13 0.00 0.00 178.44 179.06 1yaj h ILE 421 N 0.31 1.31 -0.98 4.05 2.04 -0.45 -3.20 117.51 120.58 1yaj h ILE 421 Ca 0.09 -1.15 0.12 0.00 1.00 0.00 0.00 64.86 64.93 1yaj h ILE 421 Cb 0.17 1.70 -0.09 0.00 -0.74 0.00 0.00 36.82 37.87 1yaj h ILE 421 CO -0.01 0.34 0.61 0.00 0.00 0.00 0.00 178.15 179.09 1yaj h ALA 422 N 0.68 1.49 -0.37 1.87 0.00 -0.81 -0.91 119.26 121.21 1yaj h ALA 422 Ca 0.04 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1yaj h ALA 422 Cb 0.57 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1yaj h ALA 422 CO 0.03 0.19 0.13 -0.44 0.00 0.00 0.00 179.25 179.16 1yaj h ASP 423 N 0.95 0.47 1.17 0.00 5.19 -1.12 -1.16 116.42 121.91 1yaj h ASP 423 Ca 0.49 -0.05 -0.08 0.00 -0.62 0.00 0.00 57.03 56.78 1yaj h ASP 423 Cb 0.51 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.89 1yaj h ASP 423 CO -0.27 0.44 -0.87 0.58 -3.12 0.00 0.00 179.24 175.99 1yaj h VAL 424 N 0.52 0.34 0.07 -1.35 2.07 -1.26 0.21 116.25 116.85 1yaj h VAL 424 Ca 0.13 -1.57 -0.18 0.00 0.82 0.00 0.00 66.70 65.90 1yaj h VAL 424 Cb 0.13 1.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1yaj h VAL 424 CO -0.01 0.19 -0.88 0.24 0.02 0.00 0.00 177.57 177.13 1yaj h MET 425 N 0.00 0.16 0.00 1.57 2.86 -0.93 -3.44 114.93 115.15 1yaj h MET 425 Ca -0.05 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1yaj h MET 425 Cb 1.27 0.10 0.00 0.00 0.06 0.00 0.00 31.60 33.03 1yaj h MET 425 CO 0.03 1.13 -0.78 1.19 1.06 0.00 0.00 176.91 179.53 1yaj n PHE 426 N -4.23 0.00 0.00 -0.22 3.01 -0.51 -4.71 117.46 110.80 1yaj n PHE 426 Ca -0.20 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.26 1yaj n PHE 426 Cb 0.74 0.06 0.00 0.00 -0.01 0.00 0.00 39.48 40.27 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 2.85 -2.05 0.15 1.37 0.00 -0.79 -0.71 105.19 106.02 1yaj n GLY 427 Ca 0.00 0.44 -0.08 0.00 0.00 0.00 0.00 46.02 46.38 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 1.02 -0.81 1.61 2.07 -0.87 -2.36 116.25 116.91 1yaj h VAL 428 Ca 0.00 -0.13 0.15 0.00 0.82 0.00 0.00 66.70 67.54 1yaj h VAL 428 Cb 0.00 0.60 -0.10 0.00 -1.52 0.00 0.00 31.29 30.27 1yaj h VAL 428 CO 0.00 0.07 0.36 -0.65 0.02 0.00 0.00 177.57 177.37 1yaj h PRO 429 N 0.38 0.49 0.01 1.57 0.11 -1.75 0.15 132.00 132.97 1yaj h PRO 429 Ca 0.14 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.22 1yaj h PRO 429 Cb 0.02 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.02 1yaj h PRO 429 CO -0.08 0.32 -0.00 0.77 -0.21 0.00 0.00 178.00 178.81 1yaj h SER 430 N 0.50 -0.01 -0.49 -2.05 0.02 -0.83 -2.28 113.55 108.43 1yaj h SER 430 Ca 0.45 -0.54 0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1yaj h SER 430 Cb 0.69 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.20 1yaj h SER 430 CO -0.40 0.54 0.32 0.58 -1.14 0.00 0.00 176.83 176.73 1yaj h VAL 431 N -0.56 1.03 -0.08 2.27 2.07 -0.93 -0.38 116.25 119.67 1yaj h VAL 431 Ca -0.00 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1yaj h VAL 431 Cb 0.55 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1yaj h VAL 431 CO 0.00 0.09 -0.08 0.40 0.02 0.00 0.00 177.57 178.01 1yaj h ILE 432 N 0.52 1.37 -0.32 4.57 2.04 -0.72 -1.67 117.51 123.30 1yaj h ILE 432 Ca 0.20 -1.25 0.06 0.00 1.00 0.00 0.00 64.86 64.87 1yaj h ILE 432 Cb 0.15 2.03 -0.06 0.00 -0.74 0.00 0.00 36.82 38.20 1yaj h ILE 432 CO -0.05 0.35 -0.04 0.58 0.00 0.00 0.00 178.15 178.98 1yaj h VAL 433 N -0.24 0.72 -0.13 1.67 2.07 -0.78 -0.86 116.25 118.70 1yaj h VAL 433 Ca 0.01 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1yaj h VAL 433 Cb 0.60 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1yaj h VAL 433 CO 0.02 0.01 -0.13 0.00 0.02 0.00 0.00 177.57 177.49 1yaj h ALA 434 N 1.30 -0.04 -0.39 1.67 0.00 -1.07 -0.10 119.26 120.63 1yaj h ALA 434 Ca 0.15 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.17 1yaj h ALA 434 Cb 0.22 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1yaj h ALA 434 CO -0.30 -0.58 0.10 0.00 0.00 0.00 0.00 179.25 178.48 1yaj h ARG 435 N -0.16 0.24 -0.78 0.00 3.08 -0.48 -0.02 114.38 116.26 1yaj h ARG 435 Ca 0.09 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 1yaj h ARG 435 Cb 0.29 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 1yaj h ARG 435 CO -0.22 0.16 0.33 -0.91 -1.07 0.00 0.00 179.97 178.26 1yaj h ASN 436 N 0.24 1.05 -0.44 7.04 -0.26 -0.82 0.75 115.58 123.14 1yaj h ASN 436 Ca 0.19 -0.15 -0.01 0.00 -0.56 0.00 0.00 56.30 55.77 1yaj h ASN 436 Cb 0.20 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.17 1yaj h ASN 436 CO -0.22 0.91 0.24 -0.74 -1.06 0.00 0.00 177.43 176.56 1yaj h HIS 437 N 1.12 0.64 -0.27 1.19 2.76 -0.02 -1.77 115.15 118.80 1yaj h HIS 437 Ca 0.26 -0.01 -0.17 0.00 -2.20 0.00 0.00 60.37 58.25 1yaj h HIS 437 Cb 0.18 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 28.93 1yaj h HIS 437 CO 0.02 0.47 -0.52 -0.09 -1.30 0.00 0.00 177.93 176.51 1yaj h ARG 438 N 0.66 0.78 0.00 5.26 2.43 0.28 -3.00 114.38 120.79 1yaj h ARG 438 Ca 0.17 -0.48 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1yaj h ARG 438 Cb 0.05 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1yaj h ARG 438 CO -0.02 1.11 0.00 -0.44 -1.51 0.00 0.00 179.97 179.10 1yaj h ASP 439 N 0.61 0.00 0.42 -3.80 3.32 -0.28 -1.71 116.42 114.98 1yaj h ASP 439 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1yaj h ASP 439 Cb 1.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1yaj h ASP 439 CO 0.11 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.63 1yaj n ALA 440 N -2.03 2.52 -0.07 3.45 0.00 -0.72 -4.88 120.51 118.78 1yaj n ALA 440 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1yaj n ALA 440 Cb 0.28 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1yaj n ALA 440 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yaj n GLY 441 N 1.19 1.30 3.79 0.00 0.00 -0.64 -4.93 105.19 105.90 1yaj n GLY 441 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.53 3.14 0.26 4.61 0.00 -1.20 -4.99 121.76 121.04 1yaj s ALA 442 Ca 0.00 0.55 -0.30 0.00 0.00 0.00 0.00 51.96 52.21 1yaj s ALA 442 Cb 0.00 -3.20 -0.14 0.00 0.00 0.00 0.00 23.12 19.78 1yaj s ALA 442 CO 0.00 0.06 1.27 -2.30 0.00 0.00 0.00 175.76 174.79 1yaj n PRO 443 N 0.14 1.78 -3.95 0.00 -0.02 -1.26 -4.33 135.00 127.36 1yaj n PRO 443 Ca 0.04 0.63 -0.10 0.00 -2.02 0.00 0.00 63.50 62.05 1yaj n PRO 443 Cb 0.51 -2.19 -0.11 0.00 -0.02 0.00 0.00 33.50 31.68 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 -0.46 0.09 -0.01 3.45 2.01 -1.26 -2.77 115.64 116.68 1yaj s THR 444 Ca 0.65 -0.72 -0.03 0.00 0.31 0.00 0.00 61.69 61.90 1yaj s THR 444 Cb -0.68 -0.23 -0.00 0.00 0.01 0.00 0.00 72.50 71.60 1yaj s THR 444 CO 0.54 -0.40 0.06 -0.31 -0.69 0.00 0.00 174.62 173.83 1yaj s TYR 445 N -1.18 0.02 0.09 4.92 2.02 -0.64 -0.90 117.35 121.67 1yaj s TYR 445 Ca -0.13 -0.03 0.04 0.00 -0.37 0.00 0.00 57.07 56.58 1yaj s TYR 445 Cb -0.08 -0.04 -0.03 0.00 -0.40 0.00 0.00 41.96 41.41 1yaj s TYR 445 CO -0.01 -0.12 -0.11 -1.64 -1.57 0.00 0.00 175.55 172.10 1yaj s MET 446 N -0.58 0.84 0.01 -0.62 -1.94 -1.26 -2.34 119.30 113.41 1yaj s MET 446 Ca -0.07 -1.09 -0.10 0.00 -1.71 0.00 0.00 55.69 52.73 1yaj s MET 446 Cb -0.04 -0.63 0.01 0.00 2.01 0.00 0.00 34.83 36.17 1yaj s MET 446 CO 0.00 0.12 0.20 1.52 -0.01 0.00 0.00 175.02 176.85 1yaj s TYR 447 N -2.03 -0.01 -0.21 -0.03 1.13 -1.24 -1.63 117.35 113.33 1yaj s TYR 447 Ca 0.03 -0.09 -0.01 0.00 -1.41 0.00 0.00 57.07 55.59 1yaj s TYR 447 Cb -0.05 -0.01 0.06 0.00 -1.10 0.00 0.00 41.96 40.86 1yaj s TYR 447 CO 0.01 -0.36 -0.02 -2.00 -2.51 0.00 0.00 175.55 170.67 1yaj s GLU 448 N -1.78 1.18 0.09 -3.49 2.12 0.48 -1.31 118.70 115.99 1yaj s GLU 448 Ca -0.11 -0.68 -0.30 0.00 0.36 0.00 0.00 54.97 54.24 1yaj s GLU 448 Cb -0.05 -2.30 -0.06 0.00 0.26 0.00 0.00 34.13 31.99 1yaj s GLU 448 CO 0.00 -0.59 1.06 0.12 -0.54 0.00 0.00 175.26 175.31 1yaj s PHE 449 N 1.62 3.64 -0.42 5.30 5.36 -0.36 -1.61 117.98 131.52 1yaj s PHE 449 Ca -0.03 1.61 0.10 0.00 -0.96 0.00 0.00 56.93 57.65 1yaj s PHE 449 Cb -0.18 -3.21 0.31 0.00 -0.34 0.00 0.00 43.02 39.61 1yaj s PHE 449 CO -0.07 -0.39 0.69 1.04 -1.46 0.00 0.00 175.22 175.03 1yaj n GLN 450 N 3.17 1.26 -4.07 10.12 6.02 0.22 -1.46 117.38 132.64 1yaj n GLN 450 Ca 0.05 -3.59 -0.10 0.00 -0.01 0.00 0.00 57.00 53.35 1yaj n GLN 450 Cb 0.48 -1.66 -0.09 0.00 1.02 0.00 0.00 30.24 30.00 1yaj n GLN 450 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1yaj s TYR 451 N -2.17 0.67 -0.28 1.08 5.04 -1.26 -4.49 117.35 115.93 1yaj s TYR 451 Ca 0.39 -1.04 -0.01 0.00 -2.44 0.00 0.00 57.07 53.97 1yaj s TYR 451 Cb 0.27 -0.32 0.09 0.00 0.35 0.00 0.00 41.96 42.36 1yaj s TYR 451 CO -0.09 -0.59 0.08 0.50 -1.34 0.00 0.00 175.55 174.11 1yaj s ARG 452 N -4.01 0.72 0.82 4.97 3.00 -1.26 0.56 118.95 123.75 1yaj s ARG 452 Ca 0.21 -0.92 -0.12 0.00 -1.00 0.00 0.00 55.73 53.90 1yaj s ARG 452 Cb 0.06 -2.00 0.09 0.00 0.00 0.00 0.00 34.95 33.10 1yaj s ARG 452 CO 0.00 -0.90 1.17 -1.25 0.00 0.00 0.00 175.30 174.33 1yaj s PRO 453 N 1.68 1.61 0.08 5.12 0.04 -1.26 -4.94 135.00 137.32 1yaj s PRO 453 Ca 0.07 1.63 0.26 0.00 0.04 0.00 0.00 61.00 63.00 1yaj s PRO 453 Cb -0.17 -1.79 0.74 0.00 0.04 0.00 0.00 34.50 33.33 1yaj s PRO 453 CO -0.21 -2.21 1.62 -1.13 0.04 0.00 0.00 177.00 175.11 1yaj n SER 454 N -3.49 0.47 -2.44 6.66 3.41 -1.26 -4.02 113.62 112.95 1yaj n SER 454 Ca 0.12 0.24 -0.32 0.00 -0.26 0.00 0.00 58.87 58.65 1yaj n SER 454 Cb 0.51 -0.22 0.04 0.00 -0.26 0.00 0.00 64.21 64.29 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 -1.82 2.69 -2.98 7.33 3.01 -1.26 -4.95 117.46 119.48 1yaj n PHE 455 Ca 0.05 -2.53 -0.17 0.00 1.01 0.00 0.00 57.45 55.81 1yaj n PHE 455 Cb 0.38 -1.29 0.01 0.00 -0.01 0.00 0.00 39.48 38.57 1yaj n PHE 455 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1yaj s SER 456 N -1.02 5.63 0.49 4.37 0.01 -1.26 -5.07 113.70 116.85 1yaj s SER 456 Ca 0.55 -0.39 -0.21 0.00 1.31 0.00 0.00 55.95 57.22 1yaj s SER 456 Cb 0.43 -0.68 -0.08 0.00 0.21 0.00 0.00 66.02 65.90 1yaj s SER 456 CO -0.15 -0.79 1.08 -0.55 0.41 0.00 0.00 173.24 173.24 1yaj s SER 457 N -4.35 6.18 0.42 2.44 0.15 -1.26 -4.93 113.70 112.35 1yaj s SER 457 Ca 0.55 2.04 0.13 0.00 0.70 0.00 0.00 55.95 59.38 1yaj s SER 457 Cb -0.10 -2.57 0.91 0.00 -1.71 0.00 0.00 66.02 62.55 1yaj s SER 457 CO 0.33 -0.89 1.95 0.44 1.20 0.00 0.00 173.24 176.27 1yaj h ASP 458 N 1.59 0.03 0.00 5.45 3.32 -1.99 -1.89 116.42 122.93 1yaj h ASP 458 Ca -0.50 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1yaj h ASP 458 Cb 1.23 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1yaj h ASP 458 CO 0.59 0.25 0.00 0.23 -1.72 0.00 0.00 179.24 178.59 1yaj n MET 459 N -4.27 0.89 -3.61 3.56 2.81 -1.26 -4.76 117.12 110.47 1yaj n MET 459 Ca -0.02 0.00 -0.37 0.00 -1.81 0.00 0.00 57.70 55.50 1yaj n MET 459 Cb 0.28 -1.07 -0.10 0.00 -0.71 0.00 0.00 33.22 31.62 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 -1.84 4.05 0.26 0.03 2.20 -0.71 -5.05 119.74 118.67 1yaj s LYS 460 Ca 0.00 -0.24 -0.31 0.00 -0.36 0.00 0.00 55.97 55.07 1yaj s LYS 460 Cb 0.00 -3.57 -0.11 0.00 -1.51 0.00 0.00 37.83 32.63 1yaj s LYS 460 CO 0.00 -0.02 1.62 -1.25 -0.36 0.00 0.00 175.35 175.34 1yaj s PRO 461 N 1.29 4.13 0.00 4.03 0.04 -1.26 -4.87 135.00 138.36 1yaj s PRO 461 Ca 0.08 2.57 0.14 0.00 0.04 0.00 0.00 61.00 63.83 1yaj s PRO 461 Cb -0.14 -3.04 0.85 0.00 0.04 0.00 0.00 34.50 32.20 1yaj s PRO 461 CO 0.07 -0.66 1.33 1.63 0.04 0.00 0.00 177.00 179.41 1yaj n LYS 462 N 2.73 0.69 -0.94 4.56 5.02 -1.26 -2.68 118.16 126.28 1yaj n LYS 462 Ca 0.10 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.40 1yaj n LYS 462 Cb 0.37 -1.32 0.35 0.00 -0.02 0.00 0.00 35.03 34.41 1yaj n LYS 462 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1yaj n THR 463 N -0.82 2.83 -4.00 -0.18 -2.24 -1.26 -4.81 114.28 103.79 1yaj n THR 463 Ca 0.11 -1.58 -0.31 0.00 -2.27 0.00 0.00 64.05 60.00 1yaj n THR 463 Cb 0.05 -0.32 -0.15 0.00 -2.10 0.00 0.00 70.33 67.81 1yaj n THR 463 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1yaj s VAL 464 N -2.90 1.99 -0.17 2.28 1.01 -1.09 -5.10 120.40 116.42 1yaj s VAL 464 Ca 0.54 -1.80 -0.05 0.00 0.00 0.00 0.00 61.98 60.67 1yaj s VAL 464 Cb 0.43 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1yaj s VAL 464 CO 0.14 -0.30 -0.00 -0.63 0.00 0.00 0.00 175.10 174.31 1yaj s ILE 465 N 1.12 4.19 -0.19 2.22 1.01 -1.26 -4.67 121.20 123.62 1yaj s ILE 465 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 60.65 60.40 1yaj s ILE 465 Cb -0.19 -2.86 -0.01 0.00 0.01 0.00 0.00 42.46 39.41 1yaj s ILE 465 CO -0.08 0.48 0.17 0.61 0.00 0.00 0.00 174.94 176.11 1yaj n GLY 466 N 3.58 0.43 3.94 6.18 0.00 0.19 -3.86 105.19 115.66 1yaj n GLY 466 Ca -0.17 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.15 4.17 0.17 1.61 2.15 -1.26 0.65 116.67 121.01 1yaj s ASP 467 Ca 0.04 0.27 -0.31 0.00 0.43 0.00 0.00 52.55 52.98 1yaj s ASP 467 Cb -0.01 -0.66 -0.10 0.00 -0.30 0.00 0.00 42.92 41.85 1yaj s ASP 467 CO 0.13 -2.03 1.55 -2.28 -0.17 0.00 0.00 175.17 172.36 1yaj s HIS 468 N -3.46 3.07 0.00 -5.34 5.04 -1.22 -2.23 115.29 111.16 1yaj s HIS 468 Ca 0.66 0.68 0.00 0.00 -1.54 0.00 0.00 55.06 54.86 1yaj s HIS 468 Cb -0.08 -3.90 0.00 0.00 0.04 0.00 0.00 32.58 28.64 1yaj s HIS 468 CO 0.48 -3.29 0.00 0.41 -2.34 0.00 0.00 174.74 169.99 1yaj n GLY 469 N 3.62 0.95 0.21 1.59 0.00 -1.26 -4.87 105.19 105.43 1yaj n GLY 469 Ca 0.13 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.22 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 1.00 1.61 3.32 -1.82 -1.87 116.42 118.65 1yaj h ASP 470 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1yaj h ASP 470 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1yaj h ASP 470 CO 0.00 0.30 0.00 1.05 -1.72 0.00 0.00 179.24 178.87 1yaj h GLU 471 N 0.00 0.00 -0.75 3.56 9.09 -1.90 -3.22 114.58 121.37 1yaj h GLU 471 Ca -0.00 0.00 0.07 0.00 0.05 0.00 0.00 59.36 59.48 1yaj h GLU 471 Cb 0.64 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.68 1yaj h GLU 471 CO 0.04 0.00 0.43 -0.07 0.05 0.00 0.00 179.01 179.45 1yaj h LEU 472 N 0.00 0.63 -1.27 3.06 3.38 -1.74 -1.97 115.31 117.40 1yaj h LEU 472 Ca 0.00 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1yaj h LEU 472 Cb 0.50 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1yaj h LEU 472 CO 0.00 0.39 0.07 -0.26 0.09 0.00 0.00 178.44 178.73 1yaj h PHE 473 N 0.76 0.58 -0.07 1.13 -1.00 -1.74 -0.13 116.94 116.47 1yaj h PHE 473 Ca 0.34 -0.04 -0.03 0.00 2.81 0.00 0.00 57.97 61.05 1yaj h PHE 473 Cb 0.24 -0.17 -0.00 0.00 3.61 0.00 0.00 35.95 39.63 1yaj h PHE 473 CO -0.07 0.52 -0.08 0.77 -1.61 0.00 0.00 178.31 177.85 1yaj h SER 474 N 0.55 0.20 -0.19 2.17 0.02 -1.60 0.26 113.55 114.95 1yaj h SER 474 Ca 0.13 -0.49 0.02 0.00 -0.84 0.00 0.00 61.79 60.60 1yaj h SER 474 Cb 0.25 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 1yaj h SER 474 CO 0.00 0.65 0.06 0.58 -1.14 0.00 0.00 176.83 176.98 1yaj h VAL 475 N -0.25 0.95 -0.34 2.27 2.07 -0.98 -2.50 116.25 117.46 1yaj h VAL 475 Ca 0.01 -0.05 -0.06 0.00 0.82 0.00 0.00 66.70 67.42 1yaj h VAL 475 Cb 0.60 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1yaj h VAL 475 CO 0.02 0.03 0.07 0.49 0.02 0.00 0.00 177.57 178.20 1yaj n PHE 476 N -5.05 1.19 -4.08 1.57 3.01 -0.10 -4.67 117.46 109.33 1yaj n PHE 476 Ca -0.03 -0.55 -0.46 0.00 1.01 0.00 0.00 57.45 57.42 1yaj n PHE 476 Cb 0.07 -0.38 0.02 0.00 -0.01 0.00 0.00 39.48 39.18 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 0.18 -0.80 0.27 1.37 0.00 -0.80 -4.38 105.19 101.03 1yaj n GLY 477 Ca 0.18 0.33 -0.08 0.00 0.00 0.00 0.00 46.02 46.45 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 1.59 0.76 -0.41 4.61 0.00 -0.76 -2.79 119.26 122.26 1yaj h ALA 478 Ca -0.71 -0.23 0.12 0.00 0.00 0.00 0.00 54.91 54.08 1yaj h ALA 478 Cb 1.41 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1yaj h ALA 478 CO 0.53 0.48 0.76 -1.35 0.00 0.00 0.00 179.25 179.67 1yaj h PRO 479 N 0.84 0.00 -0.02 0.00 0.11 -1.88 0.66 132.00 131.71 1yaj h PRO 479 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1yaj h PRO 479 Cb 0.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.48 1yaj h PRO 479 CO 0.01 0.00 -0.03 1.19 -0.21 0.00 0.00 178.00 178.96 1yaj n PHE 480 N -3.14 0.00 0.00 0.65 3.01 -1.05 -4.24 117.46 112.69 1yaj n PHE 480 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.54 1yaj n PHE 480 Cb 0.90 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.37 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 0.49 0.54 0.00 4.37 4.77 0.20 -4.98 117.00 122.39 1yaj n LEU 481 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1yaj n LEU 481 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1yaj n LEU 481 CO 0.17 0.09 0.00 0.29 -1.33 0.00 0.00 177.39 176.61 1yaj n LYS 482 N -1.94 2.86 -3.83 3.23 4.76 0.42 -3.67 118.16 119.99 1yaj n LYS 482 Ca 0.00 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.32 1yaj n LYS 482 Cb 0.44 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.52 1yaj n LYS 482 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1yaj s GLU 483 N 0.00 0.32 -0.56 1.97 2.56 -1.26 -4.84 118.70 116.90 1yaj s GLU 483 Ca 0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 54.97 54.74 1yaj s GLU 483 Cb 0.00 0.14 0.03 0.00 2.00 0.00 0.00 34.13 36.30 1yaj s GLU 483 CO 0.00 -0.06 0.64 0.41 -0.56 0.00 0.00 175.26 175.69 1yaj n GLY 484 N 2.34 -0.70 3.48 -1.50 0.00 -1.26 -5.01 105.19 102.55 1yaj n GLY 484 Ca -0.17 1.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.53 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 -2.27 2.67 0.41 4.61 0.00 -1.26 -5.07 121.76 120.85 1yaj s ALA 485 Ca 0.22 -1.05 -0.26 0.00 0.00 0.00 0.00 51.96 50.87 1yaj s ALA 485 Cb -0.04 -0.91 -0.09 0.00 0.00 0.00 0.00 23.12 22.09 1yaj s ALA 485 CO 0.84 0.57 1.36 -1.54 0.00 0.00 0.00 175.76 176.99 1yaj s SER 486 N -1.03 6.19 0.66 0.00 1.04 -1.26 -4.85 113.70 114.45 1yaj s SER 486 Ca 0.13 2.78 0.32 0.00 0.48 0.00 0.00 55.95 59.67 1yaj s SER 486 Cb -0.11 -2.65 1.77 0.00 0.10 0.00 0.00 66.02 65.13 1yaj s SER 486 CO 0.03 -0.95 2.01 -0.08 0.98 0.00 0.00 173.24 175.23 1yaj h GLU 487 N 2.62 0.00 -0.14 4.02 4.57 -1.98 0.31 114.58 123.97 1yaj h GLU 487 Ca -0.50 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 57.51 1yaj h GLU 487 Cb 1.25 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.85 1yaj h GLU 487 CO 0.62 0.00 -0.58 1.49 -1.18 0.00 0.00 179.01 179.36 1yaj h GLU 488 N 0.00 0.65 0.00 1.92 4.81 -1.99 -0.85 114.58 119.12 1yaj h GLU 488 Ca 0.02 -0.50 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1yaj h GLU 488 Cb 0.57 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1yaj h GLU 488 CO -0.00 1.12 0.00 -1.91 -0.73 0.00 0.00 179.01 177.49 1yaj n GLU 489 N -4.13 0.26 -0.10 1.92 2.13 1.00 -2.20 120.64 119.53 1yaj n GLU 489 Ca -0.07 0.06 -0.17 0.00 0.66 0.00 0.00 57.16 57.64 1yaj n GLU 489 Cb 0.64 -1.50 -0.13 0.00 0.27 0.00 0.00 31.44 30.72 1yaj n GLU 489 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1yaj n ILE 490 N -1.34 1.53 0.28 6.31 5.41 -0.73 -3.58 119.36 127.23 1yaj n ILE 490 Ca 0.10 -0.65 0.15 0.00 1.00 0.00 0.00 62.75 63.35 1yaj n ILE 490 Cb 0.22 -1.28 0.83 0.00 -0.71 0.00 0.00 39.64 38.70 1yaj n ILE 490 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1yaj h ARG 491 N 0.01 0.00 0.11 0.38 3.08 -0.74 -2.37 114.38 114.85 1yaj h ARG 491 Ca -0.53 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.23 1yaj h ARG 491 Cb 1.99 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 32.04 1yaj h ARG 491 CO -0.03 0.07 -1.37 1.25 -1.07 0.00 0.00 179.97 178.83 1yaj h LEU 492 N 0.00 0.37 0.37 3.04 5.85 -1.58 -3.08 115.31 120.28 1yaj h LEU 492 Ca -0.00 -0.44 -0.02 0.00 0.84 0.00 0.00 57.88 58.26 1yaj h LEU 492 Cb 0.26 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1yaj h LEU 492 CO 0.01 1.36 -0.18 -1.28 -0.34 0.00 0.00 178.44 178.01 1yaj h SER 493 N 0.06 -0.42 -0.62 1.25 0.87 -1.49 -1.64 113.55 111.55 1yaj h SER 493 Ca -0.18 -0.13 0.12 0.00 -1.23 0.00 0.00 61.79 60.38 1yaj h SER 493 Cb 1.98 0.11 -0.10 0.00 -0.44 0.00 0.00 62.40 63.95 1yaj h SER 493 CO 0.18 -0.08 0.10 0.11 -0.53 0.00 0.00 176.83 176.61 1yaj h LYS 494 N -0.81 0.21 0.39 2.24 1.57 -1.60 0.81 116.57 119.37 1yaj h LYS 494 Ca -0.05 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1yaj h LYS 494 Cb 0.53 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1yaj h LYS 494 CO 0.08 0.14 -0.31 1.98 -0.57 0.00 0.00 179.45 180.77 1yaj h MET 495 N 0.21 -0.68 -0.00 3.15 4.05 -1.51 0.29 114.93 120.44 1yaj h MET 495 Ca 0.33 0.05 0.01 0.00 -0.28 0.00 0.00 59.70 59.81 1yaj h MET 495 Cb 0.52 0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 31.46 1yaj h MET 495 CO -0.46 -0.45 -0.07 0.28 0.23 0.00 0.00 176.91 176.44 1yaj h VAL 496 N -0.70 0.82 -0.76 -5.77 2.07 -0.78 -0.42 116.25 110.70 1yaj h VAL 496 Ca -0.03 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.60 1yaj h VAL 496 Cb 0.61 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 1yaj h VAL 496 CO -0.01 0.00 0.50 0.24 0.02 0.00 0.00 177.57 178.32 1yaj h MET 497 N -0.12 0.58 0.66 1.57 2.07 -0.73 0.23 114.93 119.19 1yaj h MET 497 Ca 0.03 -0.03 -0.03 0.00 -2.07 0.00 0.00 59.70 57.59 1yaj h MET 497 Cb 0.16 -0.13 0.01 0.00 -1.87 0.00 0.00 31.60 29.77 1yaj h MET 497 CO -0.07 0.38 -0.32 0.87 1.07 0.00 0.00 176.91 178.84 1yaj h LYS 498 N 0.59 -0.85 -0.46 1.72 1.79 0.91 0.16 116.57 120.43 1yaj h LYS 498 Ca 0.36 0.06 0.09 0.00 -2.18 0.00 0.00 60.65 58.98 1yaj h LYS 498 Cb 0.60 0.19 -0.10 0.00 -1.58 0.00 0.00 32.23 31.34 1yaj h LYS 498 CO -0.13 -0.53 -0.26 0.74 -1.08 0.00 0.00 179.45 178.19 1yaj h PHE 499 N -1.04 -0.69 0.02 -1.35 0.05 -0.20 0.40 116.94 114.15 1yaj h PHE 499 Ca -0.09 0.06 0.01 0.00 3.82 0.00 0.00 57.97 61.76 1yaj h PHE 499 Cb 0.71 0.37 -0.01 0.00 2.00 0.00 0.00 35.95 39.03 1yaj h PHE 499 CO -0.01 -0.33 -0.05 -1.49 -0.18 0.00 0.00 178.31 176.25 1yaj h TRP 500 N -0.16 -0.12 -0.37 -0.55 -0.00 -0.51 -1.41 115.95 112.82 1yaj h TRP 500 Ca 0.21 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 59.09 1yaj h TRP 500 Cb 0.50 0.05 -0.02 0.00 -0.00 0.00 0.00 29.16 29.69 1yaj h TRP 500 CO -0.52 -0.08 0.19 0.00 -0.00 0.00 0.00 178.44 178.03 1yaj h ALA 501 N 0.87 0.48 -0.44 1.49 0.00 0.17 -1.61 119.26 120.23 1yaj h ALA 501 Ca 0.01 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1yaj h ALA 501 Cb 0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1yaj h ALA 501 CO -0.03 0.03 0.29 -0.91 0.00 0.00 0.00 179.25 178.63 1yaj h ASN 502 N 0.47 0.46 0.51 0.00 2.35 -0.06 -1.04 115.58 118.27 1yaj h ASN 502 Ca 0.13 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 1yaj h ASN 502 Cb 0.10 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1yaj h ASN 502 CO -0.02 0.33 -0.24 0.15 -1.65 0.00 0.00 177.43 175.99 1yaj h PHE 503 N 0.54 -0.63 -0.30 1.19 3.57 -0.74 0.30 116.94 120.87 1yaj h PHE 503 Ca 0.17 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.74 1yaj h PHE 503 Cb 0.02 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1yaj h PHE 503 CO -0.00 -0.32 0.47 0.00 -2.23 0.00 0.00 178.31 176.23 1yaj h ALA 504 N -0.47 1.90 0.00 2.41 0.00 -0.80 1.06 119.26 123.35 1yaj h ALA 504 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1yaj h ALA 504 Cb 0.59 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1yaj h ALA 504 CO 0.11 -0.62 -0.19 0.00 0.00 0.00 0.00 179.25 178.55 1yaj h ARG 505 N 0.00 0.00 0.00 0.00 3.08 -0.53 -3.44 114.38 113.49 1yaj h ARG 505 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1yaj h ARG 505 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.13 1yaj h ARG 505 CO -0.00 0.00 -1.14 0.09 -1.07 0.00 0.00 179.97 177.85 1yaj n ASN 506 N -3.37 0.84 0.00 7.04 3.02 0.10 -4.96 115.26 117.93 1yaj n ASN 506 Ca -0.03 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 53.68 1yaj n ASN 506 Cb 0.10 1.15 0.00 0.00 -0.61 0.00 0.00 39.78 40.42 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 1.46 0.79 2.89 7.41 0.00 0.36 -5.01 105.19 113.10 1yaj n GLY 507 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.89 1.41 0.13 1.61 3.84 -1.26 -4.89 114.94 112.89 1yaj s ASN 508 Ca 0.00 -0.17 -0.16 0.00 0.21 0.00 0.00 52.86 52.74 1yaj s ASN 508 Cb 0.00 -0.57 -0.01 0.00 -0.55 0.00 0.00 41.25 40.12 1yaj s ASN 508 CO 0.00 -0.08 1.68 1.55 -2.79 0.00 0.00 177.10 177.46 1yaj h PRO 509 N 7.56 0.57 -6.50 0.43 0.13 -1.81 -3.27 132.00 129.11 1yaj h PRO 509 Ca -0.32 -0.10 -0.60 0.00 -0.87 0.00 0.00 66.00 64.11 1yaj h PRO 509 Cb 1.15 -0.09 0.13 0.00 0.13 0.00 0.00 31.00 32.31 1yaj h PRO 509 CO 0.42 0.55 -0.00 0.09 -0.23 0.00 0.00 178.00 178.82 1yaj n ASN 510 N -4.66 0.67 0.00 1.44 3.02 -1.26 -4.52 115.26 109.95 1yaj n ASN 510 Ca -0.00 1.05 0.00 0.00 -0.03 0.00 0.00 54.58 55.59 1yaj n ASN 510 Cb 0.14 -1.26 0.00 0.00 -0.61 0.00 0.00 39.78 38.05 1yaj n ASN 510 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yaj n GLY 511 N 1.36 3.22 3.88 7.41 0.00 -1.26 -4.98 105.19 114.82 1yaj n GLY 511 Ca 0.10 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 1yaj n GLY 511 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yaj s GLU 512 N 2.38 3.75 -1.49 1.61 2.02 -1.26 -4.25 118.70 121.46 1yaj s GLU 512 Ca 0.00 0.16 -0.07 0.00 0.02 0.00 0.00 54.97 55.08 1yaj s GLU 512 Cb 0.00 -2.84 0.02 0.00 0.10 0.00 0.00 34.13 31.41 1yaj s GLU 512 CO 0.00 0.45 0.79 0.41 0.02 0.00 0.00 175.26 176.93 1yaj n GLY 513 N 0.33 -0.53 2.99 -1.39 0.00 -1.26 -4.99 105.19 100.35 1yaj n GLY 513 Ca -0.03 0.17 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -6.90 1.71 1.33 0.99 1.43 -1.26 -5.08 118.68 110.90 1yaj s LEU 514 Ca 0.42 0.04 -0.20 0.00 -1.03 0.00 0.00 54.13 53.36 1yaj s LEU 514 Cb -0.19 0.34 0.32 0.00 0.03 0.00 0.00 46.19 46.69 1yaj s LEU 514 CO 0.51 -0.11 0.75 -2.65 0.23 0.00 0.00 176.35 175.08 1yaj n PRO 515 N 2.63 -3.87 -3.58 1.29 -0.02 -1.26 -4.79 135.00 125.40 1yaj n PRO 515 Ca -0.15 -1.14 -0.37 0.00 -2.02 0.00 0.00 63.50 59.81 1yaj n PRO 515 Cb 0.58 -1.87 -0.06 0.00 -0.02 0.00 0.00 33.50 32.13 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 -2.16 3.60 -0.31 6.00 2.46 -1.26 -4.81 115.29 118.81 1yaj s HIS 516 Ca 0.61 0.76 0.03 0.00 0.47 0.00 0.00 55.06 56.93 1yaj s HIS 516 Cb -0.13 -2.25 0.09 0.00 -0.13 0.00 0.00 32.58 30.15 1yaj s HIS 516 CO 0.54 0.50 0.00 -0.46 -2.47 0.00 0.00 174.74 172.85 1yaj s TRP 517 N -0.45 3.42 0.69 3.88 -0.11 -1.26 -4.38 118.94 120.74 1yaj s TRP 517 Ca 0.20 -2.67 -0.15 0.00 1.22 0.00 0.00 56.10 54.70 1yaj s TRP 517 Cb -0.14 -2.49 0.02 0.00 -1.50 0.00 0.00 33.47 29.35 1yaj s TRP 517 CO 0.08 -0.92 1.15 -1.25 -4.62 0.00 0.00 176.95 171.40 1yaj s PRO 518 N 1.03 2.48 0.16 5.86 0.04 -1.26 -4.79 135.00 138.51 1yaj s PRO 518 Ca 0.04 1.55 -0.29 0.00 0.04 0.00 0.00 61.00 62.34 1yaj s PRO 518 Cb -0.19 -1.90 -0.07 0.00 0.04 0.00 0.00 34.50 32.38 1yaj s PRO 518 CO -0.08 -1.53 0.93 -2.00 0.04 0.00 0.00 177.00 174.36 1yaj s GLU 519 N -4.02 4.74 -0.81 4.56 2.12 -1.26 -4.69 118.70 119.34 1yaj s GLU 519 Ca 0.70 1.43 -0.24 0.00 0.36 0.00 0.00 54.97 57.22 1yaj s GLU 519 Cb -0.24 -3.34 -0.18 0.00 0.26 0.00 0.00 34.13 30.63 1yaj s GLU 519 CO 0.43 0.35 1.89 0.98 -0.54 0.00 0.00 175.26 178.37 1yaj n TYR 520 N 2.26 1.73 0.00 5.30 9.36 -0.08 -4.19 117.16 131.54 1yaj n TYR 520 Ca 0.00 -1.30 0.00 0.00 3.32 0.00 0.00 57.90 59.92 1yaj n TYR 520 Cb 0.48 -1.93 0.00 0.00 -0.63 0.00 0.00 39.34 37.26 1yaj n TYR 520 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1yaj n ASN 521 N 11.27 0.00 0.18 2.98 0.23 -1.26 -4.69 115.26 123.97 1yaj n ASN 521 Ca 0.47 0.00 0.05 0.00 -0.53 0.00 0.00 54.58 54.56 1yaj n ASN 521 Cb 0.43 0.00 0.28 0.00 -2.08 0.00 0.00 39.78 38.41 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 -1.98 -2.53 115.11 107.85 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 0.42 0.00 1.63 -0.95 0.00 0.00 178.83 179.93 1yaj n LYS 523 N -3.51 0.18 -3.66 1.46 4.01 -1.26 -4.93 118.16 110.45 1yaj n LYS 523 Ca -0.00 0.19 -0.21 0.00 -0.51 0.00 0.00 58.31 57.78 1yaj n LYS 523 Cb 0.55 -1.73 0.04 0.00 -0.51 0.00 0.00 35.03 33.39 1yaj n LYS 523 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1yaj n GLU 524 N -2.04 -4.64 -3.04 1.97 1.02 -0.95 -3.97 120.64 108.99 1yaj n GLU 524 Ca 0.05 0.64 -0.40 0.00 -0.02 0.00 0.00 57.16 57.43 1yaj n GLU 524 Cb 0.37 -5.18 -0.05 0.00 -0.02 0.00 0.00 31.44 26.55 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 -4.26 2.79 0.07 0.62 0.00 -1.26 0.08 107.32 105.37 1yaj s GLY 525 Ca 0.05 0.25 0.00 0.00 0.00 0.00 0.00 44.72 45.02 1yaj s GLY 525 CO 0.81 0.94 0.01 1.58 0.00 0.00 0.00 173.10 176.44 1yaj n TYR 526 N 2.41 0.12 -4.63 1.90 0.18 -0.28 -3.74 117.16 113.12 1yaj n TYR 526 Ca -0.04 -0.41 -0.29 0.00 1.88 0.00 0.00 57.90 59.04 1yaj n TYR 526 Cb 0.50 -0.03 -0.17 0.00 -0.38 0.00 0.00 39.34 39.26 1yaj n TYR 526 CO 0.00 0.00 0.00 -1.17 -2.08 0.00 0.00 176.86 173.61 1yaj s LEU 527 N 0.00 1.81 -0.58 -3.48 2.96 -0.65 -2.16 118.68 116.58 1yaj s LEU 527 Ca 0.01 -0.45 -0.21 0.00 -0.22 0.00 0.00 54.13 53.27 1yaj s LEU 527 Cb 0.00 -1.13 0.07 0.00 0.50 0.00 0.00 46.19 45.62 1yaj s LEU 527 CO 0.01 0.05 0.82 -1.10 -1.32 0.00 0.00 176.35 174.81 1yaj s GLN 528 N 0.81 3.15 -0.01 1.98 -0.21 0.14 -0.39 119.66 125.12 1yaj s GLN 528 Ca -0.10 -0.82 -0.18 0.00 0.02 0.00 0.00 55.36 54.28 1yaj s GLN 528 Cb -0.16 -4.16 -0.06 0.00 1.00 0.00 0.00 33.01 29.63 1yaj s GLN 528 CO 0.01 -1.53 0.50 0.42 -2.12 0.00 0.00 175.29 172.57 1yaj s ILE 529 N 3.39 4.96 -2.95 1.08 1.01 -0.63 -0.77 121.20 127.28 1yaj s ILE 529 Ca 0.20 1.05 0.00 0.00 0.00 0.00 0.00 60.65 61.90 1yaj s ILE 529 Cb -0.18 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.46 1yaj s ILE 529 CO 0.12 0.49 0.00 0.61 0.00 0.00 0.00 174.94 176.16 1yaj n GLY 530 N 2.22 -0.52 0.24 6.18 0.00 -1.26 -0.61 105.19 111.43 1yaj n GLY 530 Ca -0.10 -0.90 0.08 0.00 0.00 0.00 0.00 46.02 45.10 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 1.50 -2.17 4.61 0.00 -1.95 -3.05 119.26 118.20 1yaj h ALA 531 Ca 0.00 -0.16 -0.62 0.00 0.00 0.00 0.00 54.91 54.13 1yaj h ALA 531 Cb 0.00 -0.03 -0.40 0.00 0.00 0.00 0.00 17.79 17.36 1yaj h ALA 531 CO 0.00 0.22 -0.44 0.09 0.00 0.00 0.00 179.25 179.12 1yaj n ASN 532 N -4.02 4.62 -4.71 0.00 3.02 -1.26 -5.07 115.26 107.83 1yaj n ASN 532 Ca -0.02 -3.62 -0.42 0.00 -0.03 0.00 0.00 54.58 50.49 1yaj n ASN 532 Cb 0.26 -0.66 -0.03 0.00 -0.61 0.00 0.00 39.78 38.74 1yaj n ASN 532 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1yaj s THR 533 N -3.91 2.25 0.13 3.41 2.01 -1.16 -4.87 115.64 113.51 1yaj s THR 533 Ca 0.45 0.10 -0.24 0.00 0.31 0.00 0.00 61.69 62.31 1yaj s THR 533 Cb 0.23 -3.06 0.07 0.00 0.01 0.00 0.00 72.50 69.75 1yaj s THR 533 CO -0.10 0.01 0.71 0.00 -0.69 0.00 0.00 174.62 174.55 1yaj s GLN 534 N 1.56 1.22 1.08 4.92 -2.07 0.05 -4.97 119.66 121.45 1yaj s GLN 534 Ca 0.75 -0.50 -0.17 0.00 -1.82 0.00 0.00 55.36 53.63 1yaj s GLN 534 Cb -0.48 0.53 0.23 0.00 -1.09 0.00 0.00 33.01 32.20 1yaj s GLN 534 CO 0.33 -0.54 1.16 0.00 -1.32 0.00 0.00 175.29 174.92 1yaj s ALA 535 N -3.58 1.19 0.02 2.60 0.00 -1.26 0.23 121.76 120.96 1yaj s ALA 535 Ca 0.04 -0.87 -0.23 0.00 0.00 0.00 0.00 51.96 50.90 1yaj s ALA 535 Cb -0.02 -2.91 0.08 0.00 0.00 0.00 0.00 23.12 20.27 1yaj s ALA 535 CO -0.09 -3.04 1.05 0.00 0.00 0.00 0.00 175.76 173.69 1yaj n ALA 536 N -4.31 -2.94 -2.51 0.00 0.00 -0.92 -4.63 120.51 105.19 1yaj n ALA 536 Ca 0.12 -0.72 -0.08 0.00 0.00 0.00 0.00 53.44 52.75 1yaj n ALA 536 Cb 0.59 0.20 -0.10 0.00 0.00 0.00 0.00 19.45 20.14 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 -2.02 0.51 -0.59 0.00 -0.21 -1.26 -1.13 119.66 114.96 1yaj s GLN 537 Ca 0.25 -0.93 -0.16 0.00 0.02 0.00 0.00 55.36 54.54 1yaj s GLN 537 Cb -0.01 0.18 0.02 0.00 1.00 0.00 0.00 33.01 34.21 1yaj s GLN 537 CO 0.00 -0.10 0.64 1.63 -2.12 0.00 0.00 175.29 175.35 1yaj n LYS 538 N 0.72 -1.83 -2.54 2.91 5.02 0.11 -4.90 118.16 117.64 1yaj n LYS 538 Ca -0.18 1.47 -0.42 0.00 -2.02 0.00 0.00 58.31 57.16 1yaj n LYS 538 Cb 0.59 -3.86 -0.03 0.00 -0.02 0.00 0.00 35.03 31.71 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 -3.41 4.28 -0.87 -0.35 2.96 -1.26 -3.44 118.68 116.60 1yaj s LEU 539 Ca 0.18 1.74 0.00 0.00 -0.22 0.00 0.00 54.13 55.82 1yaj s LEU 539 Cb -0.03 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.10 1yaj s LEU 539 CO 0.83 -0.51 0.00 0.29 -1.32 0.00 0.00 176.35 175.64 1yaj n LYS 540 N 4.92 -2.03 -0.14 1.98 4.76 -1.26 -4.83 118.16 121.56 1yaj n LYS 540 Ca 0.10 0.49 -0.11 0.00 -2.87 0.00 0.00 58.31 55.91 1yaj n LYS 540 Cb 0.47 -4.94 -0.02 0.00 -1.84 0.00 0.00 35.03 28.71 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 0.00 0.79 -0.45 4.39 1.82 -1.94 -2.14 116.42 118.89 1yaj h ASP 541 Ca -0.21 -0.36 0.00 0.00 -0.39 0.00 0.00 57.03 56.07 1yaj h ASP 541 Cb 0.99 -0.22 -0.02 0.00 0.68 0.00 0.00 39.33 40.77 1yaj h ASP 541 CO 0.27 0.97 0.29 0.50 -1.61 0.00 0.00 179.24 179.67 1yaj h LYS 542 N 0.60 0.59 0.31 0.28 3.64 -1.88 -2.96 116.57 117.16 1yaj h LYS 542 Ca 0.10 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1yaj h LYS 542 Cb 0.63 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1yaj h LYS 542 CO 0.04 0.40 -0.15 0.93 -2.27 0.00 0.00 179.45 178.40 1yaj h GLU 543 N 0.61 -0.41 -0.97 1.90 3.07 -1.94 -3.12 114.58 113.72 1yaj h GLU 543 Ca 0.16 0.03 0.18 0.00 -0.50 0.00 0.00 59.36 59.23 1yaj h GLU 543 Cb -0.06 0.09 -0.17 0.00 -0.84 0.00 0.00 28.75 27.77 1yaj h GLU 543 CO -0.03 -0.15 -0.30 0.28 -1.40 0.00 0.00 179.01 177.41 1yaj h VAL 544 N -0.63 0.02 -0.29 3.13 2.07 -1.34 0.25 116.25 119.47 1yaj h VAL 544 Ca -0.04 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.51 1yaj h VAL 544 Cb 0.45 0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.18 1yaj h VAL 544 CO 0.07 0.00 -0.43 0.00 0.02 0.00 0.00 177.57 177.23 1yaj h ALA 545 N 1.72 -0.69 0.02 1.67 0.00 -1.46 0.45 119.26 120.97 1yaj h ALA 545 Ca 0.42 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.33 1yaj h ALA 545 Cb 0.66 1.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.43 1yaj h ALA 545 CO -0.99 -0.89 -0.46 0.35 0.00 0.00 0.00 179.25 177.27 1yaj h PHE 546 N -0.32 -1.34 -0.01 0.00 3.57 -0.57 0.34 116.94 118.61 1yaj h PHE 546 Ca 0.05 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 1yaj h PHE 546 Cb 0.47 0.58 -0.00 0.00 2.79 0.00 0.00 35.95 39.78 1yaj h PHE 546 CO -0.68 -0.49 0.00 -1.49 -2.23 0.00 0.00 178.31 173.42 1yaj h TRP 547 N -0.58 0.02 0.00 0.41 4.06 -0.82 0.31 115.95 119.34 1yaj h TRP 547 Ca 0.01 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.87 1yaj h TRP 547 Cb 0.62 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.76 1yaj h TRP 547 CO -0.49 0.01 -0.40 1.15 -3.56 0.00 0.00 178.44 175.16 1yaj h THR 548 N 0.02 0.71 0.00 1.49 2.02 0.53 -2.73 112.91 114.96 1yaj h THR 548 Ca 0.00 -1.94 0.00 0.00 0.77 0.00 0.00 66.41 65.25 1yaj h THR 548 Cb 0.01 2.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.71 1yaj h THR 548 CO -0.00 0.40 -0.79 0.78 0.37 0.00 0.00 175.52 176.28 1yaj h ASN 549 N 0.00 0.00 0.00 4.18 2.35 0.25 -3.36 115.58 119.00 1yaj h ASN 549 Ca -0.00 -0.11 -0.22 0.00 -0.55 0.00 0.00 56.30 55.42 1yaj h ASN 549 Cb 1.27 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.60 1yaj h ASN 549 CO 0.05 0.06 -1.28 -0.11 -1.65 0.00 0.00 177.43 174.50 1yaj n LEU 550 N -2.42 1.86 0.00 1.61 7.94 0.78 -3.93 117.00 122.84 1yaj n LEU 550 Ca 0.02 0.44 0.00 0.00 -1.11 0.00 0.00 56.01 55.36 1yaj n LEU 550 Cb 0.50 -0.93 0.00 0.00 0.53 0.00 0.00 43.42 43.51 1yaj n LEU 550 CO 0.38 0.19 0.27 0.49 -1.11 0.00 0.00 177.39 177.61 1yaj n PHE 551 N -4.44 0.00 0.19 1.96 3.01 -1.03 -0.80 117.46 116.35 1yaj n PHE 551 Ca -0.31 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.20 1yaj n PHE 551 Cb 0.64 -0.10 0.38 0.00 -0.01 0.00 0.00 39.48 40.39 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 1.05 1.19 0.00 4.37 0.00 -1.71 -3.51 119.26 120.64 1yaj h ALA 552 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1yaj h ALA 552 Cb 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1yaj h ALA 552 CO 0.00 0.46 0.00 1.17 0.00 0.00 0.00 179.25 180.88