#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 7.57 0.38 4.04 0.01 -1.26 -5.00 113.70 119.43 1yaj s SER 22 Ca 0.00 1.91 -0.24 0.00 1.31 0.00 0.00 55.95 58.93 1yaj s SER 22 Cb 0.00 -2.60 -0.13 0.00 0.21 0.00 0.00 66.02 63.50 1yaj s SER 22 CO 0.00 0.05 0.77 -2.65 0.41 0.00 0.00 173.24 171.82 1yaj n PRO 23 N 1.98 0.89 -1.74 12.44 -0.02 -1.26 -4.87 135.00 142.42 1yaj n PRO 23 Ca -0.00 0.32 -0.42 0.00 -2.02 0.00 0.00 63.50 61.38 1yaj n PRO 23 Cb 0.48 -1.68 -0.01 0.00 -0.02 0.00 0.00 33.50 32.26 1yaj n PRO 23 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1yaj n PRO 24 N 0.52 2.62 -3.79 0.52 -0.02 -1.16 -4.83 135.00 128.87 1yaj n PRO 24 Ca 0.11 0.93 -0.30 0.00 -2.02 0.00 0.00 63.50 62.22 1yaj n PRO 24 Cb 0.37 -2.69 -0.13 0.00 -0.02 0.00 0.00 33.50 31.02 1yaj n PRO 24 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1yaj s VAL 25 N -0.22 1.76 0.04 -1.45 1.01 -1.26 -1.46 120.40 118.82 1yaj s VAL 25 Ca 0.62 -2.75 -0.17 0.00 0.00 0.00 0.00 61.98 59.69 1yaj s VAL 25 Cb -0.51 -2.24 -0.06 0.00 0.00 0.00 0.00 36.38 33.58 1yaj s VAL 25 CO 0.51 -0.85 0.49 -0.69 0.00 0.00 0.00 175.10 174.56 1yaj s VAL 26 N 0.21 4.89 -0.46 2.92 1.01 -0.46 -4.89 120.40 123.61 1yaj s VAL 26 Ca 0.17 1.02 -0.14 0.00 0.00 0.00 0.00 61.98 63.03 1yaj s VAL 26 Cb -0.25 -3.80 0.08 0.00 0.00 0.00 0.00 36.38 32.41 1yaj s VAL 26 CO -0.01 0.57 0.36 -1.81 0.00 0.00 0.00 175.10 174.22 1yaj s ASP 27 N -1.09 6.02 0.83 3.32 -0.00 -1.26 0.18 116.67 124.67 1yaj s ASP 27 Ca 0.26 -1.38 -0.06 0.00 -0.00 0.00 0.00 52.55 51.36 1yaj s ASP 27 Cb -0.18 -2.13 0.17 0.00 -0.00 0.00 0.00 42.92 40.78 1yaj s ASP 27 CO 0.16 -0.62 1.14 0.42 -0.00 0.00 0.00 175.17 176.27 1yaj s THR 28 N 1.59 2.02 0.10 -1.27 -4.23 -0.01 -4.91 115.64 108.92 1yaj s THR 28 Ca 0.04 -0.39 -0.25 0.00 -1.18 0.00 0.00 61.69 59.90 1yaj s THR 28 Cb -0.24 -2.63 -0.11 0.00 1.34 0.00 0.00 72.50 70.86 1yaj s THR 28 CO 0.05 0.00 1.68 0.58 -0.54 0.00 0.00 174.62 176.40 1yaj h VAL 29 N -1.02 0.67 -0.07 2.29 2.07 -1.95 -2.73 116.25 115.52 1yaj h VAL 29 Ca -0.38 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1yaj h VAL 29 Cb 1.24 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1yaj h VAL 29 CO 0.36 0.00 0.00 1.41 0.02 0.00 0.00 177.57 179.36 1yaj n HIS 30 N -5.27 0.08 0.00 1.57 8.25 -1.26 -4.99 115.22 113.60 1yaj n HIS 30 Ca -0.07 -0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 1yaj n HIS 30 Cb 0.19 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.30 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 0.95 3.19 3.77 -1.41 0.00 -1.03 -2.49 105.19 108.18 1yaj n GLY 31 Ca 0.15 -1.64 -0.38 0.00 0.00 0.00 0.00 46.02 44.16 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 -2.08 4.35 -0.01 1.61 1.02 -1.25 -0.83 119.74 122.55 1yaj s LYS 32 Ca 0.00 1.65 0.03 0.00 0.02 0.00 0.00 55.97 57.68 1yaj s LYS 32 Cb 0.00 -2.82 -0.01 0.00 -0.52 0.00 0.00 37.83 34.48 1yaj s LYS 32 CO 0.00 -0.00 -0.12 0.08 -0.92 0.00 0.00 175.35 174.39 1yaj s VAL 33 N -1.43 0.93 -0.16 3.17 1.01 0.13 -1.70 120.40 122.34 1yaj s VAL 33 Ca 0.52 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.96 1yaj s VAL 33 Cb -0.27 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 1yaj s VAL 33 CO 0.34 0.27 -0.01 -0.22 0.00 0.00 0.00 175.10 175.47 1yaj s LEU 34 N -0.19 3.38 0.00 3.92 1.98 0.90 -1.36 118.68 127.31 1yaj s LEU 34 Ca 0.03 -0.08 0.01 0.00 -2.89 0.00 0.00 54.13 51.20 1yaj s LEU 34 Cb -0.05 -1.83 -0.00 0.00 0.66 0.00 0.00 46.19 44.96 1yaj s LEU 34 CO -0.00 0.17 0.04 0.61 -1.89 0.00 0.00 176.35 175.28 1yaj n GLY 35 N 3.55 3.71 3.10 7.98 0.00 -0.53 0.16 105.19 123.15 1yaj n GLY 35 Ca -0.17 -2.18 -0.25 0.00 0.00 0.00 0.00 46.02 43.42 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 -3.01 1.71 0.22 1.61 -2.85 -0.47 -2.96 119.74 113.99 1yaj s LYS 36 Ca 0.06 -0.54 -0.30 0.00 -1.00 0.00 0.00 55.97 54.19 1yaj s LYS 36 Cb 0.00 -1.47 -0.09 0.00 -2.06 0.00 0.00 37.83 34.22 1yaj s LYS 36 CO 0.04 0.18 1.18 -0.06 0.10 0.00 0.00 175.35 176.80 1yaj s PHE 37 N 0.19 3.43 -0.13 1.78 2.99 -1.26 -2.04 117.98 122.93 1yaj s PHE 37 Ca -0.06 1.49 -0.04 0.00 0.00 0.00 0.00 56.93 58.31 1yaj s PHE 37 Cb -0.12 -3.42 0.06 0.00 0.00 0.00 0.00 43.02 39.54 1yaj s PHE 37 CO 0.03 -1.11 0.21 0.08 -0.00 0.00 0.00 175.22 174.43 1yaj s VAL 38 N -0.43 -0.33 0.07 -0.44 1.01 -0.25 -4.96 120.40 115.08 1yaj s VAL 38 Ca 0.50 0.22 -0.10 0.00 0.00 0.00 0.00 61.98 62.61 1yaj s VAL 38 Cb -0.33 -0.44 -0.06 0.00 0.00 0.00 0.00 36.38 35.55 1yaj s VAL 38 CO 0.39 0.05 0.39 -0.94 0.00 0.00 0.00 175.10 174.99 1yaj s SER 39 N 2.35 6.63 -0.18 3.32 1.04 -1.26 -1.97 113.70 123.62 1yaj s SER 39 Ca 0.03 0.77 -0.15 0.00 0.48 0.00 0.00 55.95 57.08 1yaj s SER 39 Cb -0.13 -2.17 -0.04 0.00 0.10 0.00 0.00 66.02 63.78 1yaj s SER 39 CO -0.08 0.18 0.36 -0.22 0.98 0.00 0.00 173.24 174.47 1yaj s LEU 40 N -1.88 4.19 -0.44 2.42 2.96 -1.26 -4.97 118.68 119.69 1yaj s LEU 40 Ca 0.32 0.52 -0.39 0.00 -0.22 0.00 0.00 54.13 54.37 1yaj s LEU 40 Cb -0.14 -2.47 -0.17 0.00 0.50 0.00 0.00 46.19 43.91 1yaj s LEU 40 CO 0.18 -0.02 1.88 1.21 -1.32 0.00 0.00 176.35 178.29 1yaj n GLU 41 N 4.15 0.00 0.00 1.98 2.13 -1.26 -1.23 120.64 126.41 1yaj n GLU 41 Ca -0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.73 1yaj n GLU 41 Cb 0.51 -1.32 0.00 0.00 0.27 0.00 0.00 31.44 30.91 1yaj n GLU 41 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1yaj n GLY 42 N 6.58 3.41 3.74 8.31 0.00 -1.26 -5.09 105.19 120.88 1yaj n GLY 42 Ca 0.48 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 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 0.00 3.54 0.09 1.61 0.40 -0.36 -4.94 117.98 118.31 1yaj s PHE 43 Ca 0.00 1.53 0.05 0.00 -0.60 0.00 0.00 56.93 57.91 1yaj s PHE 43 Cb 0.00 -3.33 -0.23 0.00 0.51 0.00 0.00 43.02 39.98 1yaj s PHE 43 CO 0.00 -0.81 1.17 0.00 0.70 0.00 0.00 175.22 176.28 1yaj h ALA 44 N 5.29 0.35 -1.82 5.36 0.00 -1.98 -3.42 119.26 123.03 1yaj h ALA 44 Ca -0.44 -0.98 -0.57 0.00 0.00 0.00 0.00 54.91 52.92 1yaj h ALA 44 Cb 1.21 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 1yaj h ALA 44 CO 0.74 1.23 0.86 -1.14 0.00 0.00 0.00 179.25 180.94 1yaj s GLN 45 N -2.68 3.82 0.43 0.00 2.00 -1.26 -5.01 119.66 116.96 1yaj s GLN 45 Ca -0.01 0.70 -0.23 0.00 -2.00 0.00 0.00 55.36 53.82 1yaj s GLN 45 Cb 0.09 -3.85 -0.08 0.00 0.80 0.00 0.00 33.01 29.97 1yaj s GLN 45 CO 0.83 -1.20 1.08 -1.25 -0.50 0.00 0.00 175.29 174.25 1yaj s PRO 46 N 4.11 3.97 -0.11 1.67 0.04 -1.26 -4.77 135.00 138.66 1yaj s PRO 46 Ca 0.46 1.56 -0.16 0.00 0.04 0.00 0.00 61.00 62.90 1yaj s PRO 46 Cb -0.09 -2.42 -0.05 0.00 0.04 0.00 0.00 34.50 31.98 1yaj s PRO 46 CO 0.26 -0.32 0.40 0.08 0.04 0.00 0.00 177.00 177.45 1yaj s VAL 47 N -1.68 5.20 -0.23 -0.36 1.01 -0.83 -4.82 120.40 118.68 1yaj s VAL 47 Ca 0.61 0.78 -0.26 0.00 0.00 0.00 0.00 61.98 63.12 1yaj s VAL 47 Cb -0.23 -3.73 -0.00 0.00 0.00 0.00 0.00 36.38 32.42 1yaj s VAL 47 CO 0.28 0.41 0.89 0.00 0.00 0.00 0.00 175.10 176.68 1yaj s ALA 48 N 0.17 3.65 -0.14 5.51 0.00 -0.39 -1.09 121.76 129.47 1yaj s ALA 48 Ca 0.22 -0.03 -0.01 0.00 0.00 0.00 0.00 51.96 52.14 1yaj s ALA 48 Cb -0.15 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 1yaj s ALA 48 CO 0.09 -0.94 -0.11 0.42 0.00 0.00 0.00 175.76 175.22 1yaj s ILE 49 N 2.88 3.16 -0.00 0.00 1.01 -0.87 -2.09 121.20 125.29 1yaj s ILE 49 Ca 0.38 -0.62 0.05 0.00 0.00 0.00 0.00 60.65 60.46 1yaj s ILE 49 Cb -0.15 -2.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.96 1yaj s ILE 49 CO 0.07 0.51 -0.16 -0.36 0.00 0.00 0.00 174.94 175.01 1yaj s PHE 50 N 0.43 1.45 -0.04 3.97 0.40 -0.42 -1.37 117.98 122.41 1yaj s PHE 50 Ca -0.09 -0.29 0.01 0.00 -0.60 0.00 0.00 56.93 55.97 1yaj s PHE 50 Cb -0.16 -0.92 0.02 0.00 0.51 0.00 0.00 43.02 42.47 1yaj s PHE 50 CO 0.05 -0.01 -0.05 -0.51 0.70 0.00 0.00 175.22 175.39 1yaj s LEU 51 N -0.50 1.48 0.00 -0.37 1.43 -0.91 -1.32 118.68 118.50 1yaj s LEU 51 Ca 0.06 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1yaj s LEU 51 Cb -0.07 -0.44 0.00 0.00 0.03 0.00 0.00 46.19 45.72 1yaj s LEU 51 CO -0.00 -0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.16 1yaj n GLY 52 N 3.80 0.75 3.67 -3.19 0.00 -1.24 -3.82 105.19 105.16 1yaj n GLY 52 Ca -0.23 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 1yaj n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yaj s ILE 53 N -2.32 4.81 -0.01 -0.61 1.01 -1.12 -4.87 121.20 118.08 1yaj s ILE 53 Ca 0.00 1.82 -0.30 0.00 0.00 0.00 0.00 60.65 62.17 1yaj s ILE 53 Cb 0.00 -4.22 -0.03 0.00 0.01 0.00 0.00 42.46 38.22 1yaj s ILE 53 CO 0.00 -0.04 1.08 -2.16 0.00 0.00 0.00 174.94 173.82 1yaj s PRO 54 N 2.42 4.47 -0.00 2.79 0.04 -1.26 -1.70 135.00 141.76 1yaj s PRO 54 Ca 0.42 1.55 0.10 0.00 0.04 0.00 0.00 61.00 63.11 1yaj s PRO 54 Cb -0.16 -3.46 0.28 0.00 0.04 0.00 0.00 34.50 31.20 1yaj s PRO 54 CO 0.12 -0.21 1.23 1.97 0.04 0.00 0.00 177.00 180.15 1yaj n PHE 55 N 4.27 0.42 -3.53 0.56 1.16 -1.04 -4.89 117.46 114.42 1yaj n PHE 55 Ca 0.08 -0.50 -0.10 0.00 -1.87 0.00 0.00 57.45 55.06 1yaj n PHE 55 Cb 0.49 -0.03 -0.02 0.00 -1.61 0.00 0.00 39.48 38.31 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 -1.01 -1.59 0.69 1.98 0.00 -1.26 -4.32 121.76 116.26 1yaj s ALA 56 Ca 0.21 0.44 -0.11 0.00 0.00 0.00 0.00 51.96 52.50 1yaj s ALA 56 Cb 0.11 0.77 0.00 0.00 0.00 0.00 0.00 23.12 24.00 1yaj s ALA 56 CO 0.14 -0.81 1.06 0.21 0.00 0.00 0.00 175.76 176.35 1yaj s LYS 57 N -3.62 3.02 -0.19 0.00 2.36 0.75 -4.39 119.74 117.66 1yaj s LYS 57 Ca 0.04 0.86 -0.29 0.00 -2.55 0.00 0.00 55.97 54.03 1yaj s LYS 57 Cb -0.02 -2.01 -0.03 0.00 -1.05 0.00 0.00 37.83 34.73 1yaj s LYS 57 CO -0.08 -1.02 1.62 -2.14 1.55 0.00 0.00 175.35 175.28 1yaj s PRO 58 N -5.10 3.85 0.00 4.03 0.02 -1.26 -4.68 135.00 131.86 1yaj s PRO 58 Ca 0.58 1.74 -0.01 0.00 0.02 0.00 0.00 61.00 63.33 1yaj s PRO 58 Cb -0.13 -4.02 -0.04 0.00 0.02 0.00 0.00 34.50 30.32 1yaj s PRO 58 CO 0.55 -1.22 1.05 -0.35 -0.33 0.00 0.00 177.00 176.69 1yaj n PRO 59 N 7.57 0.45 -3.14 5.54 -0.04 -1.26 -4.84 135.00 139.27 1yaj n PRO 59 Ca 0.19 -0.17 -0.24 0.00 -0.04 0.00 0.00 63.50 63.24 1yaj n PRO 59 Cb 0.45 -1.52 -0.00 0.00 -0.04 0.00 0.00 33.50 32.38 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 0.00 3.84 0.00 1.53 1.43 -1.26 -3.67 118.68 120.54 1yaj s LEU 60 Ca 0.11 0.46 0.00 0.00 -1.03 0.00 0.00 54.13 53.67 1yaj s LEU 60 Cb 0.05 -3.34 0.00 0.00 0.03 0.00 0.00 46.19 42.93 1yaj s LEU 60 CO 0.00 -0.47 0.00 0.61 0.23 0.00 0.00 176.35 176.72 1yaj n GLY 61 N -1.95 3.74 0.25 -3.19 0.00 -1.26 -2.54 105.19 100.23 1yaj n GLY 61 Ca -0.02 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.11 1yaj n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yaj h PRO 62 N 0.00 0.00 -0.11 1.61 0.13 -1.91 -3.06 132.00 128.66 1yaj h PRO 62 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1yaj h PRO 62 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1yaj h PRO 62 CO 0.00 0.10 0.00 1.28 -0.23 0.00 0.00 178.00 179.15 1yaj n LEU 63 N -3.22 0.11 -4.80 1.56 4.77 -1.05 -4.81 117.00 109.55 1yaj n LEU 63 Ca 0.01 -0.05 -0.37 0.00 -0.03 0.00 0.00 56.01 55.56 1yaj n LEU 63 Cb 0.39 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.36 1yaj n LEU 63 CO 0.31 0.03 0.49 -0.60 -1.33 0.00 0.00 177.39 176.29 1yaj s ARG 64 N -1.89 4.41 -1.48 3.23 3.52 -1.16 -3.48 118.95 122.10 1yaj s ARG 64 Ca 0.00 1.05 -0.00 0.00 -0.13 0.00 0.00 55.73 56.65 1yaj s ARG 64 Cb 0.00 -2.94 0.00 0.00 -1.56 0.00 0.00 34.95 30.45 1yaj s ARG 64 CO 0.00 0.40 0.06 1.19 -0.81 0.00 0.00 175.30 176.14 1yaj n PHE 65 N 0.86 -0.93 -4.26 5.12 3.72 -1.26 -5.00 117.46 115.71 1yaj n PHE 65 Ca -0.02 0.05 -0.14 0.00 -0.05 0.00 0.00 57.45 57.29 1yaj n PHE 65 Cb 0.50 -3.56 -0.10 0.00 -0.94 0.00 0.00 39.48 35.38 1yaj n PHE 65 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1yaj s THR 66 N -2.90 0.52 0.37 4.37 -4.23 -1.23 -4.84 115.64 107.70 1yaj s THR 66 Ca 0.03 -1.98 -0.27 0.00 -1.18 0.00 0.00 61.69 58.29 1yaj s THR 66 Cb -0.01 -2.36 -0.09 0.00 1.34 0.00 0.00 72.50 71.38 1yaj s THR 66 CO 0.04 -0.24 1.26 -2.84 -0.54 0.00 0.00 174.62 172.30 1yaj s PRO 67 N -4.00 4.16 0.04 3.99 0.02 -1.26 -4.94 135.00 133.02 1yaj s PRO 67 Ca 0.31 2.09 -0.30 0.00 0.02 0.00 0.00 61.00 63.11 1yaj s PRO 67 Cb 0.07 -2.88 -0.08 0.00 0.02 0.00 0.00 34.50 31.63 1yaj s PRO 67 CO 0.08 -0.30 1.80 -1.25 -0.33 0.00 0.00 177.00 177.00 1yaj s PRO 68 N -2.05 4.16 0.26 5.54 0.04 -1.26 -4.98 135.00 136.71 1yaj s PRO 68 Ca 0.53 2.45 -0.13 0.00 0.04 0.00 0.00 61.00 63.90 1yaj s PRO 68 Cb -0.37 -3.88 -0.08 0.00 0.04 0.00 0.00 34.50 30.21 1yaj s PRO 68 CO 0.48 -0.86 0.64 -0.65 0.04 0.00 0.00 177.00 176.65 1yaj s GLN 69 N 3.60 3.94 0.42 4.56 -0.21 -1.26 -4.95 119.66 125.75 1yaj s GLN 69 Ca 0.80 0.51 -0.24 0.00 0.02 0.00 0.00 55.36 56.45 1yaj s GLN 69 Cb -0.41 -2.60 -0.11 0.00 1.00 0.00 0.00 33.01 30.89 1yaj s GLN 69 CO 0.36 0.27 0.90 -2.30 -2.12 0.00 0.00 175.29 172.40 1yaj n PRO 70 N -0.07 1.13 -1.96 2.91 -0.02 -1.26 -0.18 135.00 135.56 1yaj n PRO 70 Ca 0.01 0.41 -0.34 0.00 -2.02 0.00 0.00 63.50 61.56 1yaj n PRO 70 Cb 0.53 -1.90 0.03 0.00 -0.02 0.00 0.00 33.50 32.14 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 -1.31 2.54 0.07 3.55 0.00 -1.26 -3.63 121.76 121.72 1yaj s ALA 71 Ca 0.63 0.72 -0.28 0.00 0.00 0.00 0.00 51.96 53.04 1yaj s ALA 71 Cb -0.58 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.13 1yaj s ALA 71 CO 0.57 -1.11 0.89 -1.21 0.00 0.00 0.00 175.76 174.90 1yaj s GLU 72 N -3.69 4.61 0.39 0.00 0.41 -1.26 -4.85 118.70 114.31 1yaj s GLU 72 Ca 0.71 1.31 -0.26 0.00 -0.41 0.00 0.00 54.97 56.31 1yaj s GLU 72 Cb -0.23 -3.39 -0.09 0.00 -1.78 0.00 0.00 34.13 28.64 1yaj s GLU 72 CO 0.35 0.19 1.29 -1.25 -0.49 0.00 0.00 175.26 175.35 1yaj s PRO 73 N 0.18 4.03 0.36 0.39 0.04 -1.26 -5.04 135.00 133.69 1yaj s PRO 73 Ca 0.45 2.13 0.07 0.00 0.04 0.00 0.00 61.00 63.69 1yaj s PRO 73 Cb -0.22 -2.79 -0.01 0.00 0.04 0.00 0.00 34.50 31.52 1yaj s PRO 73 CO 0.27 -0.43 0.43 1.67 0.04 0.00 0.00 177.00 178.98 1yaj s TRP 74 N -1.26 2.98 -0.79 0.56 -2.14 -1.04 -5.06 118.94 112.20 1yaj s TRP 74 Ca 0.56 -0.29 0.20 0.00 2.66 0.00 0.00 56.10 59.23 1yaj s TRP 74 Cb -0.38 -2.02 -0.24 0.00 -3.10 0.00 0.00 33.47 27.74 1yaj s TRP 74 CO 0.48 -0.04 0.79 0.43 -2.66 0.00 0.00 176.95 175.96 1yaj n SER 75 N -1.60 0.83 0.00 -2.66 7.64 -1.26 -4.75 113.62 111.82 1yaj n SER 75 Ca 0.01 -0.80 0.00 0.00 1.01 0.00 0.00 58.87 59.09 1yaj n SER 75 Cb 0.59 1.17 0.00 0.00 -1.01 0.00 0.00 64.21 64.96 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 -1.61 0.00 -3.82 1.43 3.01 -1.26 -5.04 117.46 110.17 1yaj n PHE 76 Ca 0.02 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.13 1yaj n PHE 76 Cb 0.35 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.70 1yaj n PHE 76 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1yaj s VAL 77 N 3.95 3.20 -0.05 -4.37 1.01 -1.26 -3.90 120.40 118.98 1yaj s VAL 77 Ca 0.00 -1.85 -0.30 0.00 0.00 0.00 0.00 61.98 59.83 1yaj s VAL 77 Cb 0.00 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 1yaj s VAL 77 CO 0.00 -0.52 1.29 -0.75 0.00 0.00 0.00 175.10 175.12 1yaj s LYS 78 N 1.17 4.31 -0.34 2.72 2.20 -0.69 -4.81 119.74 124.30 1yaj s LYS 78 Ca 0.05 1.79 -0.28 0.00 -0.36 0.00 0.00 55.97 57.16 1yaj s LYS 78 Cb -0.22 -3.61 0.02 0.00 -1.51 0.00 0.00 37.83 32.51 1yaj s LYS 78 CO -0.03 -0.54 1.04 -0.80 -0.36 0.00 0.00 175.35 174.66 1yaj s ASN 79 N 1.75 6.85 -1.08 1.43 0.01 -1.26 -0.07 114.94 122.56 1yaj s ASN 79 Ca 0.59 0.89 -0.04 0.00 -0.71 0.00 0.00 52.86 53.60 1yaj s ASN 79 Cb -0.27 -2.52 0.31 0.00 0.41 0.00 0.00 41.25 39.18 1yaj s ASN 79 CO 0.23 -0.90 1.53 0.00 -1.51 0.00 0.00 177.10 176.44 1yaj n ALA 80 N 6.91 5.29 0.01 0.60 0.00 0.12 -4.68 120.51 128.76 1yaj n ALA 80 Ca 0.11 -4.79 0.00 0.00 0.00 0.00 0.00 53.44 48.76 1yaj n ALA 80 Cb 0.47 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.59 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 1.18 0.31 -4.35 0.00 -2.24 -1.25 -2.13 114.28 105.79 1yaj n THR 81 Ca 0.28 -0.65 -0.25 0.00 -2.27 0.00 0.00 64.05 61.16 1yaj n THR 81 Cb 0.32 0.85 -0.13 0.00 -2.10 0.00 0.00 70.33 69.28 1yaj n THR 81 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1yaj s SER 82 N -0.32 2.68 0.14 3.42 0.01 -1.26 -4.97 113.70 113.40 1yaj s SER 82 Ca 0.00 -0.68 -0.30 0.00 1.31 0.00 0.00 55.95 56.28 1yaj s SER 82 Cb 0.00 -0.16 -0.08 0.00 0.21 0.00 0.00 66.02 65.99 1yaj s SER 82 CO 0.00 0.09 1.26 -0.31 0.41 0.00 0.00 173.24 174.70 1yaj s TYR 83 N -1.10 3.35 0.88 2.43 2.02 -1.26 -4.04 117.35 119.64 1yaj s TYR 83 Ca 0.08 1.25 -0.11 0.00 -0.37 0.00 0.00 57.07 57.92 1yaj s TYR 83 Cb -0.10 -3.52 0.12 0.00 -0.40 0.00 0.00 41.96 38.06 1yaj s TYR 83 CO 0.04 -1.63 1.11 -1.25 -1.57 0.00 0.00 175.55 172.25 1yaj s PRO 84 N 0.41 1.33 0.27 -1.71 0.04 -1.26 -4.97 135.00 129.12 1yaj s PRO 84 Ca 0.58 1.22 -0.29 0.00 0.04 0.00 0.00 61.00 62.54 1yaj s PRO 84 Cb -0.34 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 1yaj s PRO 84 CO 0.34 -2.31 1.05 -2.14 0.04 0.00 0.00 177.00 173.98 1yaj s PRO 85 N -4.78 4.68 0.22 0.56 0.02 -1.26 -4.84 135.00 129.60 1yaj s PRO 85 Ca 0.64 1.71 -0.28 0.00 0.02 0.00 0.00 61.00 63.09 1yaj s PRO 85 Cb -0.20 -3.18 -0.09 0.00 0.02 0.00 0.00 34.50 31.05 1yaj s PRO 85 CO 0.58 0.28 0.88 0.00 -0.33 0.00 0.00 177.00 178.41 1yaj s MET 86 N -1.42 4.74 0.71 5.54 0.23 -0.91 -4.57 119.30 123.62 1yaj s MET 86 Ca 0.44 1.36 -0.16 0.00 -1.03 0.00 0.00 55.69 56.30 1yaj s MET 86 Cb -0.30 -3.25 -0.04 0.00 -1.53 0.00 0.00 34.83 29.71 1yaj s MET 86 CO 0.38 0.53 0.54 0.00 -2.03 0.00 0.00 175.02 174.44 1yaj n THR 88 N -2.34 0.62 -3.76 0.00 -1.04 -1.14 -4.64 114.28 101.98 1yaj n THR 88 Ca 0.10 -0.15 -0.03 0.00 -2.04 0.00 0.00 64.05 61.92 1yaj n THR 88 Cb 0.50 -1.41 -0.01 0.00 -1.82 0.00 0.00 70.33 67.59 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 0.02 1.20 -0.31 -2.82 -2.07 -1.26 -4.72 119.66 109.69 1yaj s GLN 89 Ca 0.72 -0.67 -0.35 0.00 -1.82 0.00 0.00 55.36 53.24 1yaj s GLN 89 Cb -0.69 0.40 -0.11 0.00 -1.09 0.00 0.00 33.01 31.52 1yaj s GLN 89 CO 0.46 -0.55 2.12 -3.47 -1.32 0.00 0.00 175.29 172.54 1yaj n ASP 90 N -0.51 2.31 -0.20 12.60 -0.08 -1.26 -4.86 116.55 124.55 1yaj n ASP 90 Ca -0.06 0.51 -0.00 0.00 -1.51 0.00 0.00 54.79 53.73 1yaj n ASP 90 Cb 0.61 -1.27 0.10 0.00 2.34 0.00 0.00 41.12 42.90 1yaj n ASP 90 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1yaj h PRO 91 N 11.76 0.35 0.48 -0.67 0.13 -1.98 0.19 132.00 142.26 1yaj h PRO 91 Ca -0.31 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.77 1yaj h PRO 91 Cb 1.31 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1yaj h PRO 91 CO 1.01 0.23 -0.23 0.87 -0.23 0.00 0.00 178.00 179.65 1yaj h LYS 92 N 0.36 -0.62 -0.58 0.86 1.57 -2.00 -2.30 116.57 113.87 1yaj h LYS 92 Ca 0.30 0.04 0.03 0.00 -1.87 0.00 0.00 60.65 59.16 1yaj h LYS 92 Cb 0.39 0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.80 1yaj h LYS 92 CO -0.32 -0.36 0.34 0.00 -0.57 0.00 0.00 179.45 178.54 1yaj h ALA 93 N -0.26 0.75 -0.74 3.86 0.00 -1.93 -0.49 119.26 120.46 1yaj h ALA 93 Ca -0.07 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.91 1yaj h ALA 93 Cb 0.54 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1yaj h ALA 93 CO 0.11 0.05 0.48 0.78 0.00 0.00 0.00 179.25 180.67 1yaj h GLY 94 N 0.66 0.96 0.28 0.00 0.00 -0.54 -0.94 103.07 103.50 1yaj h GLY 94 Ca 0.24 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 1yaj h GLY 94 CO -0.12 0.20 -0.07 -1.61 0.00 0.00 0.00 176.54 174.94 1yaj h GLN 95 N 0.73 -0.20 -0.90 4.80 4.15 -0.83 -2.73 115.11 120.13 1yaj h GLN 95 Ca 0.33 0.01 0.23 0.00 0.77 0.00 0.00 58.65 59.99 1yaj h GLN 95 Cb 0.33 0.05 -0.16 0.00 0.21 0.00 0.00 27.48 27.90 1yaj h GLN 95 CO -0.11 0.19 0.02 1.25 -1.93 0.00 0.00 178.83 178.24 1yaj h LEU 96 N -0.94 -0.42 -0.13 -2.39 5.85 -0.51 0.19 115.31 116.96 1yaj h LEU 96 Ca -0.02 0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 1yaj h LEU 96 Cb 0.48 0.43 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 1yaj h LEU 96 CO 0.04 -0.28 0.02 0.25 -0.34 0.00 0.00 178.44 178.13 1yaj h LEU 97 N 0.06 0.21 -2.12 2.25 5.85 -1.27 -2.42 115.31 117.86 1yaj h LEU 97 Ca 0.52 -0.26 0.08 0.00 0.84 0.00 0.00 57.88 59.06 1yaj h LEU 97 Cb 1.02 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1yaj h LEU 97 CO -0.82 0.42 0.25 -1.28 -0.34 0.00 0.00 178.44 176.67 1yaj h SER 98 N -0.01 0.00 0.89 1.25 0.87 -0.39 -1.76 113.55 114.40 1yaj h SER 98 Ca 0.04 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.38 1yaj h SER 98 Cb 0.30 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.23 1yaj h SER 98 CO 0.00 0.00 -1.17 -0.33 -0.53 0.00 0.00 176.83 174.80 1yaj h GLU 99 N 0.00 0.00 -0.01 2.24 5.08 -0.60 -2.73 114.58 118.57 1yaj h GLU 99 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1yaj h GLU 99 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1yaj h GLU 99 CO -0.00 0.75 -0.20 1.28 -1.00 0.00 0.00 179.01 179.83 1yaj n LEU 100 N -3.22 0.97 -0.01 1.33 4.77 -0.70 -4.31 117.00 115.84 1yaj n LEU 100 Ca -0.05 -0.24 -0.01 0.00 -0.03 0.00 0.00 56.01 55.68 1yaj n LEU 100 Cb 0.94 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.90 1yaj n LEU 100 CO 0.45 0.18 -0.57 0.49 -1.33 0.00 0.00 177.39 176.62 1yaj n PHE 101 N -0.61 0.00 -1.50 -1.77 3.01 -0.98 -4.98 117.46 110.63 1yaj n PHE 101 Ca 0.13 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.17 1yaj n PHE 101 Cb 0.33 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 39.72 1yaj n PHE 101 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1yaj n THR 102 N -2.24 1.98 0.09 4.37 5.66 -1.03 -4.82 114.28 118.29 1yaj n THR 102 Ca -0.03 -0.50 0.02 0.00 -3.05 0.00 0.00 64.05 60.48 1yaj n THR 102 Cb 0.55 -0.70 0.02 0.00 -1.55 0.00 0.00 70.33 68.66 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 1.12 1.51 -4.79 1.09 6.94 -1.26 -5.03 115.26 114.85 1yaj n ASN 103 Ca 0.11 -1.34 -0.26 0.00 -0.02 0.00 0.00 54.58 53.07 1yaj n ASN 103 Cb 0.38 -0.02 0.09 0.00 -2.36 0.00 0.00 39.78 37.87 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 -0.45 1.93 0.00 -3.83 1.70 -1.26 -4.38 118.95 112.66 1yaj s ARG 104 Ca 0.05 -0.45 0.00 0.00 -0.47 0.00 0.00 55.73 54.86 1yaj s ARG 104 Cb 0.03 -2.17 0.00 0.00 -0.57 0.00 0.00 34.95 32.24 1yaj s ARG 104 CO 0.04 -1.39 0.44 0.36 -1.08 0.00 0.00 175.30 173.67 1yaj n LYS 105 N -2.98 0.00 -4.03 3.89 2.85 -1.26 -4.70 118.16 111.93 1yaj n LYS 105 Ca 0.10 0.21 -0.36 0.00 -1.05 0.00 0.00 58.31 57.21 1yaj n LYS 105 Cb 0.60 -0.94 -0.08 0.00 -0.65 0.00 0.00 35.03 33.96 1yaj n LYS 105 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 1yaj s GLU 106 N -0.88 3.51 0.79 -1.58 -1.05 -1.26 -4.96 118.70 113.27 1yaj s GLU 106 Ca 0.00 -0.26 -0.14 0.00 -0.15 0.00 0.00 54.97 54.41 1yaj s GLU 106 Cb 0.00 -3.11 0.04 0.00 -0.44 0.00 0.00 34.13 30.62 1yaj s GLU 106 CO 0.00 0.60 0.93 -1.71 0.95 0.00 0.00 175.26 176.02 1yaj n ASN 107 N 2.53 0.12 -4.33 0.83 4.05 -1.26 -4.98 115.26 112.22 1yaj n ASN 107 Ca -0.18 0.58 -0.33 0.00 0.45 0.00 0.00 54.58 55.09 1yaj n ASN 107 Cb 0.54 -1.39 -0.15 0.00 1.23 0.00 0.00 39.78 40.01 1yaj n ASN 107 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1yaj s ILE 108 N -2.04 2.96 0.21 -1.44 -1.09 -1.26 -5.10 121.20 113.45 1yaj s ILE 108 Ca 0.70 -0.67 -0.30 0.00 -2.23 0.00 0.00 60.65 58.15 1yaj s ILE 108 Cb -0.31 -2.26 -0.09 0.00 -1.58 0.00 0.00 42.46 38.22 1yaj s ILE 108 CO 0.54 0.51 1.27 -2.16 -1.23 0.00 0.00 174.94 173.87 1yaj s PRO 109 N 0.66 4.42 0.20 2.79 0.04 -1.26 -5.03 135.00 136.82 1yaj s PRO 109 Ca -0.07 2.01 0.10 0.00 0.04 0.00 0.00 61.00 63.09 1yaj s PRO 109 Cb -0.15 -3.19 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 1yaj s PRO 109 CO 0.02 -0.18 -0.20 -0.51 0.04 0.00 0.00 177.00 176.17 1yaj s LEU 110 N -0.35 2.47 0.20 -3.56 1.43 -1.26 -5.11 118.68 112.49 1yaj s LEU 110 Ca 0.54 -0.90 0.06 0.00 -1.03 0.00 0.00 54.13 52.81 1yaj s LEU 110 Cb -0.36 -0.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 1yaj s LEU 110 CO 0.39 0.03 0.13 -0.54 0.23 0.00 0.00 176.35 176.59 1yaj s LYS 111 N -2.91 2.80 0.02 1.70 3.01 -1.26 -5.00 119.74 118.09 1yaj s LYS 111 Ca 0.20 -1.01 -0.01 0.00 -1.01 0.00 0.00 55.97 54.15 1yaj s LYS 111 Cb -0.06 -2.54 -0.04 0.00 -1.01 0.00 0.00 37.83 34.18 1yaj s LYS 111 CO 0.09 0.44 0.16 -0.51 0.51 0.00 0.00 175.35 176.04 1yaj s LEU 112 N -3.38 4.22 -0.18 3.17 1.43 -1.26 -2.14 118.68 120.55 1yaj s LEU 112 Ca 0.31 0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 53.38 1yaj s LEU 112 Cb -0.09 -2.62 0.12 0.00 0.03 0.00 0.00 46.19 43.63 1yaj s LEU 112 CO 0.23 0.23 0.97 -0.55 0.23 0.00 0.00 176.35 177.46 1yaj s SER 113 N -2.09 -0.43 0.24 2.29 0.15 -1.10 -4.93 113.70 107.83 1yaj s SER 113 Ca 0.29 0.56 0.05 0.00 0.70 0.00 0.00 55.95 57.54 1yaj s SER 113 Cb -0.13 0.48 0.25 0.00 -1.71 0.00 0.00 66.02 64.91 1yaj s SER 113 CO 0.20 -0.33 1.56 -0.33 1.20 0.00 0.00 173.24 175.54 1yaj h GLU 114 N 3.01 0.21 -5.81 5.44 5.08 -1.95 -3.01 114.58 117.57 1yaj h GLU 114 Ca -0.22 -0.15 -0.61 0.00 -1.00 0.00 0.00 59.36 57.39 1yaj h GLU 114 Cb 1.16 0.02 -0.12 0.00 0.50 0.00 0.00 28.75 30.32 1yaj h GLU 114 CO 0.27 0.76 0.98 0.34 -1.00 0.00 0.00 179.01 180.37 1yaj s ASP 115 N -6.89 6.33 0.00 1.42 2.15 -1.26 -4.50 116.67 113.92 1yaj s ASP 115 Ca -0.04 -1.13 0.00 0.00 0.43 0.00 0.00 52.55 51.81 1yaj s ASP 115 Cb 0.12 -2.49 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 1yaj s ASP 115 CO 0.80 -1.51 0.07 0.00 -0.17 0.00 0.00 175.17 174.36 1yaj n LEU 117 N 0.00 2.89 -4.30 0.00 4.77 -1.26 -4.75 117.00 114.35 1yaj n LEU 117 Ca 0.00 -2.55 -0.16 0.00 -0.03 0.00 0.00 56.01 53.27 1yaj n LEU 117 Cb 0.29 -1.12 -0.10 0.00 -2.33 0.00 0.00 43.42 40.16 1yaj n LEU 117 CO 0.00 -1.31 -0.36 -0.31 -1.33 0.00 0.00 177.39 174.08 1yaj s TYR 118 N 7.59 1.47 0.04 -1.77 1.51 -1.26 -2.48 117.35 122.44 1yaj s TYR 118 Ca 0.64 -0.85 0.00 0.00 -1.01 0.00 0.00 57.07 55.86 1yaj s TYR 118 Cb 0.10 -0.81 -0.03 0.00 -0.11 0.00 0.00 41.96 41.11 1yaj s TYR 118 CO 0.19 0.02 -0.05 -0.48 -1.11 0.00 0.00 175.55 174.12 1yaj s LEU 119 N -3.26 2.35 0.06 -1.29 0.05 -0.69 -2.05 118.68 113.85 1yaj s LEU 119 Ca 0.24 -0.71 0.04 0.00 0.05 0.00 0.00 54.13 53.75 1yaj s LEU 119 Cb 0.04 0.04 -0.04 0.00 -2.05 0.00 0.00 46.19 44.19 1yaj s LEU 119 CO 0.06 -0.38 -0.04 0.20 -0.55 0.00 0.00 176.35 175.64 1yaj s ASN 120 N -2.09 4.82 0.01 1.48 0.01 -0.23 -2.79 114.94 116.15 1yaj s ASN 120 Ca -0.05 -0.18 0.06 0.00 -0.71 0.00 0.00 52.86 51.98 1yaj s ASN 120 Cb -0.03 -1.12 -0.02 0.00 0.41 0.00 0.00 41.25 40.49 1yaj s ASN 120 CO -0.04 0.22 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.95 1yaj s ILE 121 N -1.18 1.52 -0.50 0.60 1.01 -0.43 -1.22 121.20 120.99 1yaj s ILE 121 Ca 0.22 -0.95 0.06 0.00 0.00 0.00 0.00 60.65 59.98 1yaj s ILE 121 Cb -0.11 -1.29 0.23 0.00 0.01 0.00 0.00 42.46 41.29 1yaj s ILE 121 CO 0.14 0.32 0.54 -1.22 0.00 0.00 0.00 174.94 174.72 1yaj n TYR 122 N 2.31 0.99 -3.01 3.97 4.02 0.08 -1.30 117.16 124.21 1yaj n TYR 122 Ca -0.16 -3.75 -0.40 0.00 -0.01 0.00 0.00 57.90 53.58 1yaj n TYR 122 Cb 0.54 -0.32 -0.05 0.00 -0.02 0.00 0.00 39.34 39.49 1yaj n TYR 122 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 1yaj s THR 123 N -1.32 5.00 -2.26 -0.72 -1.32 -0.89 -2.59 115.64 111.54 1yaj s THR 123 Ca 0.35 1.47 0.20 0.00 -1.21 0.00 0.00 61.69 62.49 1yaj s THR 123 Cb 0.12 -4.06 0.43 0.00 -1.51 0.00 0.00 72.50 67.48 1yaj s THR 123 CO -0.11 0.18 1.46 -0.81 -2.21 0.00 0.00 174.62 173.13 1yaj n PRO 124 N 4.31 1.97 -1.57 7.08 -0.04 -1.26 -1.27 135.00 144.22 1yaj n PRO 124 Ca 0.00 -1.47 -0.30 0.00 -0.04 0.00 0.00 63.50 61.69 1yaj n PRO 124 Cb 0.50 -1.41 0.08 0.00 -0.04 0.00 0.00 33.50 32.64 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 -1.64 2.38 -1.04 0.55 0.00 -1.26 -4.90 121.76 115.85 1yaj s ALA 125 Ca 0.33 -0.14 -0.13 0.00 0.00 0.00 0.00 51.96 52.02 1yaj s ALA 125 Cb 0.18 -3.12 0.21 0.00 0.00 0.00 0.00 23.12 20.39 1yaj s ALA 125 CO 0.26 -1.58 1.11 0.34 0.00 0.00 0.00 175.76 175.89 1yaj s ASP 126 N -3.90 7.01 0.63 0.00 2.15 -1.26 -4.75 116.67 116.56 1yaj s ASP 126 Ca 0.60 -2.97 0.18 0.00 0.43 0.00 0.00 52.55 50.79 1yaj s ASP 126 Cb -0.14 -2.29 0.80 0.00 -0.30 0.00 0.00 42.92 40.99 1yaj s ASP 126 CO 0.54 -0.60 1.38 -0.07 -0.17 0.00 0.00 175.17 176.26 1yaj h LEU 127 N 8.31 0.00 -1.16 -1.34 3.38 -1.95 -0.62 115.31 121.93 1yaj h LEU 127 Ca 0.19 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 1yaj h LEU 127 Cb 0.94 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 1yaj h LEU 127 CO 1.02 0.00 0.00 0.71 0.09 0.00 0.00 178.44 180.27 1yaj h THR 128 N 0.00 1.21 -1.60 0.22 1.35 -1.99 -3.44 112.91 108.65 1yaj h THR 128 Ca 0.21 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1yaj h THR 128 Cb 2.01 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 1yaj h THR 128 CO -0.00 0.29 0.00 0.29 -0.25 0.00 0.00 175.52 175.84 1yaj n LYS 129 N -4.27 3.24 -3.88 4.72 5.02 -0.24 -5.08 118.16 117.67 1yaj n LYS 129 Ca 0.02 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.00 1yaj n LYS 129 Cb 0.25 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.12 1yaj n LYS 129 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1yaj s LYS 130 N 2.80 1.24 0.17 1.97 2.20 -1.26 -5.00 119.74 121.86 1yaj s LYS 130 Ca 0.00 -1.68 0.05 0.00 -0.36 0.00 0.00 55.97 53.98 1yaj s LYS 130 Cb 0.00 -2.69 -0.04 0.00 -1.51 0.00 0.00 37.83 33.59 1yaj s LYS 130 CO 0.00 -1.00 0.12 -0.80 -0.36 0.00 0.00 175.35 173.32 1yaj s ASN 131 N 0.98 5.45 -0.34 1.43 0.01 -1.26 -5.04 114.94 116.16 1yaj s ASN 131 Ca 0.12 -0.16 0.15 0.00 -0.71 0.00 0.00 52.86 52.26 1yaj s ASN 131 Cb -0.20 -1.40 0.46 0.00 0.41 0.00 0.00 41.25 40.52 1yaj s ASN 131 CO -0.12 0.07 1.02 0.54 -1.51 0.00 0.00 177.10 177.09 1yaj n ARG 132 N -0.34 1.87 -1.01 -0.60 3.00 -1.08 -3.99 116.66 114.50 1yaj n ARG 132 Ca -0.08 -3.62 -0.33 0.00 -0.01 0.00 0.00 57.85 53.80 1yaj n ARG 132 Cb 0.55 -1.57 0.12 0.00 0.00 0.00 0.00 32.46 31.56 1yaj n ARG 132 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1yaj n LEU 133 N -0.26 2.95 -4.77 0.55 4.77 0.10 -3.87 117.00 116.48 1yaj n LEU 133 Ca 0.17 0.52 -0.38 0.00 -0.03 0.00 0.00 56.01 56.30 1yaj n LEU 133 Cb 0.79 -1.41 -0.02 0.00 -2.33 0.00 0.00 43.42 40.45 1yaj n LEU 133 CO 0.27 -2.30 0.82 -2.16 -1.33 0.00 0.00 177.39 172.68 1yaj s PRO 134 N -3.91 4.01 -0.12 3.23 0.04 -1.26 -0.42 135.00 136.57 1yaj s PRO 134 Ca 0.68 1.76 -0.04 0.00 0.04 0.00 0.00 61.00 63.45 1yaj s PRO 134 Cb -0.28 -2.59 -0.03 0.00 0.04 0.00 0.00 34.50 31.63 1yaj s PRO 134 CO 0.56 -0.33 0.02 0.08 0.04 0.00 0.00 177.00 177.36 1yaj s VAL 135 N -1.49 4.43 -0.29 -0.36 1.01 -1.10 -1.04 120.40 121.57 1yaj s VAL 135 Ca 0.59 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.41 1yaj s VAL 135 Cb -0.29 -2.91 0.08 0.00 0.00 0.00 0.00 36.38 33.26 1yaj s VAL 135 CO 0.36 0.55 -0.01 -0.04 0.00 0.00 0.00 175.10 175.96 1yaj s MET 136 N -0.39 1.62 -0.40 2.72 -1.94 0.09 -0.32 119.30 120.67 1yaj s MET 136 Ca 0.08 -1.47 -0.23 0.00 -1.71 0.00 0.00 55.69 52.36 1yaj s MET 136 Cb -0.12 -2.86 0.02 0.00 2.01 0.00 0.00 34.83 33.87 1yaj s MET 136 CO 0.02 -0.78 0.78 0.08 -0.01 0.00 0.00 175.02 175.11 1yaj s VAL 137 N 1.13 4.70 -0.26 -6.03 1.01 0.32 -1.18 120.40 120.09 1yaj s VAL 137 Ca 0.02 0.69 -0.16 0.00 0.00 0.00 0.00 61.98 62.54 1yaj s VAL 137 Cb -0.19 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 31.90 1yaj s VAL 137 CO -0.09 -0.55 0.41 0.86 0.00 0.00 0.00 175.10 175.74 1yaj s TRP 138 N 3.18 3.27 -0.45 5.22 -0.11 0.25 -1.65 118.94 128.65 1yaj s TRP 138 Ca 0.31 0.50 -0.16 0.00 1.22 0.00 0.00 56.10 57.96 1yaj s TRP 138 Cb -0.13 -2.60 0.05 0.00 -1.50 0.00 0.00 33.47 29.29 1yaj s TRP 138 CO 0.19 -0.21 0.38 0.42 -4.62 0.00 0.00 176.95 173.11 1yaj s ILE 139 N 2.03 5.20 0.54 5.86 1.01 0.84 -3.07 121.20 133.61 1yaj s ILE 139 Ca 0.17 -0.80 -0.21 0.00 0.00 0.00 0.00 60.65 59.81 1yaj s ILE 139 Cb -0.16 -4.06 -0.05 0.00 0.01 0.00 0.00 42.46 38.20 1yaj s ILE 139 CO 0.09 -0.49 1.20 -1.38 0.00 0.00 0.00 174.94 174.37 1yaj s HIS 140 N 1.79 2.57 0.07 3.97 -3.43 -1.26 -3.63 115.29 115.37 1yaj s HIS 140 Ca 0.06 1.51 0.01 0.00 -0.80 0.00 0.00 55.06 55.83 1yaj s HIS 140 Cb -0.21 -3.46 0.01 0.00 -1.43 0.00 0.00 32.58 27.49 1yaj s HIS 140 CO 0.09 -1.98 0.10 0.41 -2.00 0.00 0.00 174.74 171.35 1yaj n GLY 141 N 0.46 1.66 0.00 -1.38 0.00 -1.18 -3.90 105.19 100.85 1yaj n GLY 141 Ca 0.11 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 44.03 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 4.17 -0.27 2.10 -0.02 0.00 -1.26 -4.56 105.19 105.36 1yaj n GLY 142 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 0.48 2.43 -0.02 0.00 -1.26 -2.99 105.19 103.83 1yaj n GLY 143 Ca 0.00 -0.26 -0.15 0.00 0.00 0.00 0.00 46.02 45.61 1yaj n GLY 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1yaj n LEU 144 N -0.07 -1.09 0.00 0.99 4.77 -1.26 -4.80 117.00 115.54 1yaj n LEU 144 Ca -0.01 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1yaj n LEU 144 Cb 0.06 -2.19 0.00 0.00 -2.33 0.00 0.00 43.42 38.96 1yaj n LEU 144 CO 0.01 -0.77 -0.39 0.23 -1.33 0.00 0.00 177.39 175.13 1yaj n MET 145 N -2.57 0.76 -3.95 3.23 2.81 -1.18 -0.89 117.12 115.34 1yaj n MET 145 Ca -0.15 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.64 1yaj n MET 145 Cb 0.49 -0.89 -0.12 0.00 -0.71 0.00 0.00 33.22 31.99 1yaj n MET 145 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1yaj s VAL 146 N -1.79 0.08 -3.90 2.03 -7.23 -1.16 -4.30 120.40 104.14 1yaj s VAL 146 Ca 0.00 -0.58 0.00 0.00 -1.81 0.00 0.00 61.98 59.59 1yaj s VAL 146 Cb 0.00 -0.18 0.00 0.00 0.56 0.00 0.00 36.38 36.76 1yaj s VAL 146 CO 0.00 -0.31 0.00 0.61 -0.31 0.00 0.00 175.10 175.09 1yaj n GLY 147 N 2.14 -1.29 0.00 2.32 0.00 -1.26 -4.01 105.19 103.09 1yaj n GLY 147 Ca -0.20 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1yaj n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj n ALA 148 N 0.00 0.00 0.13 4.61 0.00 -1.26 -4.72 120.51 119.27 1yaj n ALA 148 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1yaj n ALA 148 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 1yaj n ALA 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yaj h ALA 149 N 0.00 0.70 0.00 0.00 0.00 -1.88 -3.24 119.26 114.84 1yaj h ALA 149 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1yaj h ALA 149 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1yaj h ALA 149 CO 0.00 0.40 0.00 0.77 0.00 0.00 0.00 179.25 180.42 1yaj h SER 150 N 0.00 0.00 -0.62 0.00 0.02 -1.91 -2.80 113.55 108.24 1yaj h SER 150 Ca -0.04 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 1yaj h SER 150 Cb 1.25 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.76 1yaj h SER 150 CO 0.03 0.00 0.28 0.74 -1.14 0.00 0.00 176.83 176.74 1yaj h THR 151 N 0.00 1.22 -3.55 -2.27 2.02 -1.95 -3.40 112.91 104.97 1yaj h THR 151 Ca 0.00 -0.65 -0.62 0.00 0.77 0.00 0.00 66.41 65.91 1yaj h THR 151 Cb 0.35 0.51 -0.13 0.00 -1.74 0.00 0.00 68.15 67.14 1yaj h THR 151 CO 0.00 0.26 0.26 -0.31 0.37 0.00 0.00 175.52 176.10 1yaj s TYR 152 N -5.65 3.12 -0.14 3.16 1.51 -1.06 -4.23 117.35 114.07 1yaj s TYR 152 Ca -0.13 0.40 -0.19 0.00 -1.01 0.00 0.00 57.07 56.15 1yaj s TYR 152 Cb 0.13 -3.30 -0.04 0.00 -0.11 0.00 0.00 41.96 38.65 1yaj s TYR 152 CO 0.79 -0.71 0.52 0.34 -1.11 0.00 0.00 175.55 175.38 1yaj s ASP 153 N 1.85 6.68 -0.02 2.29 3.68 -1.26 -4.96 116.67 124.93 1yaj s ASP 153 Ca 0.28 0.82 0.19 0.00 2.13 0.00 0.00 52.55 55.96 1yaj s ASP 153 Cb -0.14 -2.30 0.56 0.00 -1.45 0.00 0.00 42.92 39.59 1yaj s ASP 153 CO 0.16 -0.08 1.47 0.61 0.13 0.00 0.00 175.17 177.46 1yaj n GLY 154 N 3.46 2.65 0.29 2.66 0.00 -1.26 -4.57 105.19 108.42 1yaj n GLY 154 Ca -0.05 -0.69 0.02 0.00 0.00 0.00 0.00 46.02 45.29 1yaj n GLY 154 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1yaj h LEU 155 N 3.58 0.59 0.00 0.99 5.85 -1.92 -1.93 115.31 122.47 1yaj h LEU 155 Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1yaj h LEU 155 Cb 0.99 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.96 1yaj h LEU 155 CO 0.04 0.34 0.00 0.00 -0.34 0.00 0.00 178.44 178.48 1yaj n ALA 156 N -2.39 -0.37 -0.30 1.25 0.00 -1.26 -2.59 120.51 114.85 1yaj n ALA 156 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.45 1yaj n ALA 156 Cb 0.27 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.62 1yaj n ALA 156 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1yaj h LEU 157 N 0.00 -1.91 -1.17 0.00 5.85 -1.74 0.14 115.31 116.48 1yaj h LEU 157 Ca 0.00 0.28 0.25 0.00 0.84 0.00 0.00 57.88 59.25 1yaj h LEU 157 Cb 0.00 0.82 -0.11 0.00 0.37 0.00 0.00 40.66 41.75 1yaj h LEU 157 CO 0.00 -0.27 0.63 0.00 -0.34 0.00 0.00 178.44 178.46 1yaj h ALA 158 N 0.20 1.98 0.34 1.25 0.00 -1.48 -1.38 119.26 120.17 1yaj h ALA 158 Ca 0.12 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1yaj h ALA 158 Cb 0.44 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1yaj h ALA 158 CO -0.76 -0.41 -0.16 0.00 0.00 0.00 0.00 179.25 177.92 1yaj h ALA 159 N 1.67 -0.46 -1.00 0.00 0.00 -0.54 -2.73 119.26 116.21 1yaj h ALA 159 Ca 0.61 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.42 1yaj h ALA 159 Cb 1.31 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 19.23 1yaj h ALA 159 CO -0.38 -0.44 0.66 0.45 0.00 0.00 0.00 179.25 179.54 1yaj h HIS 160 N -1.10 1.24 -0.35 0.00 -0.00 -0.80 -3.20 115.15 110.93 1yaj h HIS 160 Ca -0.05 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 1yaj h HIS 160 Cb 0.39 -0.42 0.00 0.00 -0.00 0.00 0.00 27.41 27.39 1yaj h HIS 160 CO 0.01 0.75 0.00 0.39 -0.00 0.00 0.00 177.93 179.08 1yaj n GLU 161 N -4.42 2.88 -3.47 2.45 -0.58 -0.55 -5.04 120.64 111.92 1yaj n GLU 161 Ca 0.13 -2.07 -0.26 0.00 -0.42 0.00 0.00 57.16 54.53 1yaj n GLU 161 Cb 0.05 -1.28 0.02 0.00 -0.57 0.00 0.00 31.44 29.65 1yaj n GLU 161 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1yaj n ASN 162 N 0.51 -5.86 -3.74 1.62 5.03 -1.05 -5.01 115.26 106.76 1yaj n ASN 162 Ca 0.12 -0.34 -0.14 0.00 0.87 0.00 0.00 54.58 55.10 1yaj n ASN 162 Cb 0.44 -2.56 -0.08 0.00 -1.02 0.00 0.00 39.78 36.55 1yaj n ASN 162 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 1yaj s VAL 163 N -2.31 0.05 -0.19 2.41 -7.23 -1.10 -4.57 120.40 107.46 1yaj s VAL 163 Ca 0.19 -0.45 -0.28 0.00 -1.81 0.00 0.00 61.98 59.64 1yaj s VAL 163 Cb -0.03 -0.66 -0.00 0.00 0.56 0.00 0.00 36.38 36.25 1yaj s VAL 163 CO 0.86 -0.25 0.97 -0.69 -0.31 0.00 0.00 175.10 175.68 1yaj s VAL 164 N -1.39 4.75 -0.13 1.32 1.01 -0.21 -4.15 120.40 121.60 1yaj s VAL 164 Ca -0.13 1.92 -0.05 0.00 0.00 0.00 0.00 61.98 63.72 1yaj s VAL 164 Cb -0.05 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1yaj s VAL 164 CO 0.04 -0.09 0.04 -0.69 0.00 0.00 0.00 175.10 174.40 1yaj s VAL 165 N 2.72 4.62 0.03 2.92 1.01 -1.07 -0.73 120.40 129.89 1yaj s VAL 165 Ca 0.43 -0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.36 1yaj s VAL 165 Cb -0.16 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 1yaj s VAL 165 CO 0.10 0.54 -0.18 -0.69 0.00 0.00 0.00 175.10 174.88 1yaj s VAL 166 N -0.32 1.42 -0.31 2.92 1.01 -0.33 -0.74 120.40 124.04 1yaj s VAL 166 Ca 0.08 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1yaj s VAL 166 Cb -0.12 -1.23 0.10 0.00 0.00 0.00 0.00 36.38 35.13 1yaj s VAL 166 CO 0.02 0.20 0.09 0.42 0.00 0.00 0.00 175.10 175.82 1yaj s THR 167 N -0.70 1.12 0.35 3.92 -4.23 -0.36 -0.58 115.64 115.17 1yaj s THR 167 Ca 0.06 -1.54 -0.03 0.00 -1.18 0.00 0.00 61.69 58.99 1yaj s THR 167 Cb -0.08 -1.83 -0.04 0.00 1.34 0.00 0.00 72.50 71.89 1yaj s THR 167 CO 0.01 -0.64 0.60 0.27 -0.54 0.00 0.00 174.62 174.32 1yaj s ILE 168 N 1.50 5.03 0.41 2.99 -4.36 -1.18 -1.07 121.20 124.52 1yaj s ILE 168 Ca 0.09 -0.10 0.07 0.00 -0.26 0.00 0.00 60.65 60.46 1yaj s ILE 168 Cb -0.18 -3.81 -0.07 0.00 1.25 0.00 0.00 42.46 39.66 1yaj s ILE 168 CO -0.22 -0.52 0.09 -1.10 0.24 0.00 0.00 174.94 173.44 1yaj s GLN 169 N -4.07 2.09 -0.25 0.37 -0.21 -0.87 -4.48 119.66 112.23 1yaj s GLN 169 Ca 0.43 -1.98 -0.26 0.00 0.02 0.00 0.00 55.36 53.57 1yaj s GLN 169 Cb -0.10 -1.80 0.11 0.00 1.00 0.00 0.00 33.01 32.21 1yaj s GLN 169 CO 0.35 -0.08 0.93 1.52 -2.12 0.00 0.00 175.29 175.89 1yaj s TYR 170 N -2.66 -0.55 0.48 0.91 1.13 -1.26 -4.57 117.35 110.83 1yaj s TYR 170 Ca 0.38 1.28 -0.20 0.00 -1.41 0.00 0.00 57.07 57.12 1yaj s TYR 170 Cb 0.07 0.35 -0.12 0.00 -1.10 0.00 0.00 41.96 41.17 1yaj s TYR 170 CO 0.20 -0.30 0.44 0.54 -2.51 0.00 0.00 175.55 173.92 1yaj n ARG 171 N 2.09 0.46 -4.52 -3.49 1.74 -1.26 -4.89 116.66 106.79 1yaj n ARG 171 Ca -0.13 0.17 -0.26 0.00 -0.77 0.00 0.00 57.85 56.86 1yaj n ARG 171 Cb 0.56 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 30.43 1yaj n ARG 171 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1yaj s LEU 172 N 1.93 2.00 0.00 0.55 1.43 -1.26 -4.35 118.68 118.98 1yaj s LEU 172 Ca 0.64 -1.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.05 1yaj s LEU 172 Cb -0.54 -0.11 0.00 0.00 0.03 0.00 0.00 46.19 45.58 1yaj s LEU 172 CO 0.58 -0.95 0.00 0.61 0.23 0.00 0.00 176.35 176.82 1yaj n GLY 173 N -0.93 0.98 0.29 -3.19 0.00 -0.07 -0.82 105.19 101.45 1yaj n GLY 173 Ca -0.06 -0.54 0.07 0.00 0.00 0.00 0.00 46.02 45.48 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 0.27 -0.58 -0.61 2.04 -1.93 -0.49 117.51 116.21 1yaj h ILE 174 Ca 0.00 -0.03 0.14 0.00 1.00 0.00 0.00 64.86 65.97 1yaj h ILE 174 Cb 0.00 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.23 1yaj h ILE 174 CO 0.00 0.02 0.41 -0.50 0.00 0.00 0.00 178.15 178.07 1yaj h TRP 175 N 0.09 0.19 -0.00 1.37 6.55 -1.64 -1.48 115.95 121.01 1yaj h TRP 175 Ca 0.45 0.01 0.00 0.00 0.95 0.00 0.00 58.89 60.29 1yaj h TRP 175 Cb 0.81 -0.06 0.00 0.00 -0.86 0.00 0.00 29.16 29.05 1yaj h TRP 175 CO -0.45 0.08 -0.24 0.41 -1.05 0.00 0.00 178.44 177.19 1yaj n GLY 176 N -1.59 -0.08 0.00 1.49 0.00 0.00 -4.52 105.19 100.48 1yaj n GLY 176 Ca 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.50 0.00 -2.11 1.61 3.72 -0.32 -0.29 117.46 119.58 1yaj n PHE 177 Ca 0.03 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.00 1yaj n PHE 177 Cb 0.17 0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.70 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 0.00 2.11 0.08 1.38 2.19 -0.58 -4.38 117.98 118.79 1yaj s PHE 178 Ca 0.00 0.52 0.08 0.00 0.33 0.00 0.00 56.93 57.86 1yaj s PHE 178 Cb 0.00 -3.96 -0.03 0.00 -1.31 0.00 0.00 43.02 37.72 1yaj s PHE 178 CO 0.00 -3.00 -0.21 0.45 1.83 0.00 0.00 175.22 174.30 1yaj s SER 179 N 4.09 2.49 -0.01 6.13 0.15 -1.26 -4.42 113.70 120.87 1yaj s SER 179 Ca 0.71 -0.62 0.13 0.00 0.70 0.00 0.00 55.95 56.87 1yaj s SER 179 Cb -0.26 -0.16 -0.16 0.00 -1.71 0.00 0.00 66.02 63.73 1yaj s SER 179 CO 0.29 0.09 0.46 0.35 1.20 0.00 0.00 173.24 175.63 1yaj n THR 180 N 1.39 0.00 -0.35 6.45 -2.24 -0.63 -4.45 114.28 114.46 1yaj n THR 180 Ca -0.19 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1yaj n THR 180 Cb 0.53 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 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 1.45 0.82 3.26 3.38 0.00 -1.26 -3.80 105.19 109.04 1yaj n GLY 181 Ca 0.01 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 1yaj n GLY 181 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1yaj s ASP 182 N -2.03 0.68 0.59 1.61 -4.77 -1.26 -5.02 116.67 106.48 1yaj s ASP 182 Ca 0.00 -1.50 0.29 0.00 -3.30 0.00 0.00 52.55 48.04 1yaj s ASP 182 Cb 0.00 0.46 1.56 0.00 -1.09 0.00 0.00 42.92 43.85 1yaj s ASP 182 CO 0.00 -0.94 1.98 1.05 0.70 0.00 0.00 175.17 177.95 1yaj h GLU 183 N 2.42 0.00 0.00 2.11 9.09 -1.97 -1.16 114.58 125.07 1yaj h GLU 183 Ca -0.32 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.09 1yaj h GLU 183 Cb 1.24 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.34 1yaj h GLU 183 CO 0.46 0.00 -0.02 0.45 0.05 0.00 0.00 179.01 179.95 1yaj h HIS 184 N 0.00 0.00 -0.12 2.06 3.86 -1.96 -3.37 115.15 115.62 1yaj h HIS 184 Ca 0.15 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.32 1yaj h HIS 184 Cb 0.87 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.19 1yaj h HIS 184 CO 0.00 0.02 -0.11 0.45 0.86 0.00 0.00 177.93 179.15 1yaj n SER 185 N -3.37 -1.48 -0.15 2.45 2.88 -0.50 -4.98 113.62 108.47 1yaj n SER 185 Ca -0.02 -1.43 -0.03 0.00 -1.33 0.00 0.00 58.87 56.05 1yaj n SER 185 Cb 0.13 0.78 0.05 0.00 -0.75 0.00 0.00 64.21 64.43 1yaj n SER 185 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1yaj h ARG 186 N 3.75 0.24 0.00 -1.46 3.08 -1.59 -1.67 114.38 116.73 1yaj h ARG 186 Ca -0.11 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1yaj h ARG 186 Cb 1.18 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.18 1yaj h ARG 186 CO -0.13 0.16 0.00 0.41 -1.07 0.00 0.00 179.97 179.34 1yaj n GLY 187 N -1.27 -0.84 2.34 0.04 0.00 -1.26 -4.58 105.19 99.61 1yaj n GLY 187 Ca 0.05 -2.18 -0.13 0.00 0.00 0.00 0.00 46.02 43.76 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 -4.41 -0.32 1.61 3.02 -1.26 -4.91 115.26 108.99 1yaj n ASN 188 Ca 0.00 0.21 0.14 0.00 -0.03 0.00 0.00 54.58 54.90 1yaj n ASN 188 Cb 0.00 -3.25 0.33 0.00 -0.61 0.00 0.00 39.78 36.25 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 0.83 -0.61 3.10 -0.00 -1.64 0.71 115.95 118.34 1yaj h TRP 189 Ca -0.28 0.04 -0.03 0.00 -0.00 0.00 0.00 58.89 58.61 1yaj h TRP 189 Cb 0.98 -0.22 -0.03 0.00 -0.00 0.00 0.00 29.16 29.89 1yaj h TRP 189 CO 0.36 0.04 0.24 0.78 -0.00 0.00 0.00 178.44 179.86 1yaj h GLY 190 N 0.52 0.95 0.67 1.49 0.00 -0.84 -1.30 103.07 104.55 1yaj h GLY 190 Ca 0.58 -0.48 -0.09 0.00 0.00 0.00 0.00 47.33 47.34 1yaj h GLY 190 CO -0.48 0.46 -0.29 0.45 0.00 0.00 0.00 176.54 176.68 1yaj h HIS 191 N 0.87 0.43 -0.21 5.60 3.86 -1.24 -2.36 115.15 122.09 1yaj h HIS 191 Ca 0.21 -0.18 0.06 0.00 -1.16 0.00 0.00 60.37 59.30 1yaj h HIS 191 Cb 0.17 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 1yaj h HIS 191 CO 0.01 0.90 0.29 -0.07 0.86 0.00 0.00 177.93 179.92 1yaj h LEU 192 N -0.17 0.00 0.16 2.43 3.38 -0.65 -1.10 115.31 119.37 1yaj h LEU 192 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1yaj h LEU 192 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1yaj h LEU 192 CO 0.06 0.00 -0.08 0.44 0.09 0.00 0.00 178.44 178.95 1yaj h ASP 193 N 0.00 -0.18 -1.55 -0.43 3.32 -0.96 -2.31 116.42 114.31 1yaj h ASP 193 Ca 0.10 0.01 0.49 0.00 0.02 0.00 0.00 57.03 57.65 1yaj h ASP 193 Cb 0.68 0.05 -0.11 0.00 0.22 0.00 0.00 39.33 40.17 1yaj h ASP 193 CO -0.00 0.15 1.05 0.00 -1.72 0.00 0.00 179.24 178.72 1yaj n GLN 194 N -4.16 -0.02 0.09 3.56 6.02 -0.72 0.16 117.38 122.32 1yaj n GLN 194 Ca -0.03 1.13 -0.10 0.00 -0.01 0.00 0.00 57.00 57.99 1yaj n GLN 194 Cb 0.09 -2.36 -0.07 0.00 1.02 0.00 0.00 30.24 28.92 1yaj n GLN 194 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1yaj h VAL 195 N 0.00 0.63 -0.98 5.09 2.07 -1.23 -2.32 116.25 119.50 1yaj h VAL 195 Ca 0.86 -0.98 0.27 0.00 0.82 0.00 0.00 66.70 67.67 1yaj h VAL 195 Cb 3.07 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 33.84 1yaj h VAL 195 CO -0.27 0.16 0.69 0.00 0.02 0.00 0.00 177.57 178.17 1yaj h ALA 196 N -0.51 2.75 -0.11 1.67 0.00 0.22 0.36 119.26 123.65 1yaj h ALA 196 Ca -0.03 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1yaj h ALA 196 Cb 0.49 0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.34 1yaj h ALA 196 CO 0.05 -1.05 -0.45 0.00 0.00 0.00 0.00 179.25 177.80 1yaj h ALA 197 N 1.53 0.20 -0.93 0.00 0.00 -0.98 -1.39 119.26 117.69 1yaj h ALA 197 Ca 0.49 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1yaj h ALA 197 Cb 1.75 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.48 1yaj h ALA 197 CO -0.07 0.34 0.58 -0.07 0.00 0.00 0.00 179.25 180.04 1yaj h LEU 198 N 0.08 1.10 0.33 0.00 3.38 0.16 -0.60 115.31 119.76 1yaj h LEU 198 Ca -0.03 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1yaj h LEU 198 Cb 1.09 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1yaj h LEU 198 CO 0.09 0.83 -0.17 0.03 0.09 0.00 0.00 178.44 179.32 1yaj h ARG 199 N 1.28 -0.44 -0.89 1.13 3.08 -0.67 -0.61 114.38 117.25 1yaj h ARG 199 Ca 0.34 0.03 0.24 0.00 0.07 0.00 0.00 59.98 60.65 1yaj h ARG 199 Cb -0.09 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.01 1yaj h ARG 199 CO -0.07 -0.29 0.62 2.35 -1.07 0.00 0.00 179.97 181.51 1yaj h TRP 200 N -0.46 0.24 -0.02 3.04 7.01 -0.54 0.89 115.95 126.11 1yaj h TRP 200 Ca -0.04 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 60.96 1yaj h TRP 200 Cb 0.35 -0.07 -0.00 0.00 -2.10 0.00 0.00 29.16 27.34 1yaj h TRP 200 CO -0.06 0.06 0.01 0.28 -2.79 0.00 0.00 178.44 175.93 1yaj h VAL 201 N 0.17 1.19 -0.21 2.65 2.07 0.34 -1.55 116.25 120.91 1yaj h VAL 201 Ca 0.45 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1yaj h VAL 201 Cb 1.47 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 1yaj h VAL 201 CO -0.09 0.15 0.06 1.56 0.02 0.00 0.00 177.57 179.27 1yaj h GLN 202 N -0.19 0.29 -0.03 1.57 1.08 0.29 0.05 115.11 118.18 1yaj h GLN 202 Ca 0.01 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1yaj h GLN 202 Cb 0.23 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 1yaj h GLN 202 CO 0.00 0.27 0.00 -0.25 -0.95 0.00 0.00 178.83 177.90 1yaj n ASP 203 N -4.43 2.44 0.00 1.46 8.00 -0.76 -4.66 116.55 118.62 1yaj n ASP 203 Ca 0.00 -1.81 0.00 0.00 0.71 0.00 0.00 54.79 53.69 1yaj n ASP 203 Cb 0.14 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 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 0.91 0.74 -0.29 -2.24 3.02 -0.60 -4.67 115.26 112.13 1yaj n ASN 204 Ca 0.16 0.00 0.32 0.00 -0.03 0.00 0.00 54.58 55.03 1yaj n ASN 204 Cb 0.51 0.00 0.49 0.00 -0.61 0.00 0.00 39.78 40.16 1yaj n ASN 204 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yaj n ILE 205 N -1.93 0.00 -0.37 2.41 0.13 -0.02 0.13 119.36 119.71 1yaj n ILE 205 Ca 0.00 1.28 -0.00 0.00 -1.10 0.00 0.00 62.75 62.93 1yaj n ILE 205 Cb 0.12 -2.26 0.14 0.00 -0.84 0.00 0.00 39.64 36.79 1yaj n ILE 205 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1yaj h ALA 206 N 0.59 1.32 0.00 1.51 0.00 -1.79 0.59 119.26 121.47 1yaj h ALA 206 Ca 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1yaj h ALA 206 Cb 3.04 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 20.46 1yaj h ALA 206 CO -0.01 0.57 0.00 0.43 0.00 0.00 0.00 179.25 180.24 1yaj n SER 207 N -4.44 0.00 -0.75 0.00 7.64 0.12 -2.71 113.62 113.48 1yaj n SER 207 Ca 0.13 -1.03 0.03 0.00 1.01 0.00 0.00 58.87 59.01 1yaj n SER 207 Cb 0.08 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 63.49 1yaj n SER 207 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1yaj n PHE 208 N -0.86 0.34 -0.93 1.43 3.01 0.12 -4.84 117.46 115.73 1yaj n PHE 208 Ca 0.14 -1.50 0.00 0.00 1.01 0.00 0.00 57.45 57.10 1yaj n PHE 208 Cb 0.06 -0.32 0.00 0.00 -0.01 0.00 0.00 39.48 39.21 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 -1.13 0.73 3.94 1.37 0.00 -1.10 -4.73 105.19 104.27 1yaj n GLY 209 Ca 0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.00 1.52 -0.40 -0.02 0.00 -0.72 0.03 107.32 105.73 1yaj s GLY 210 Ca 0.00 -0.89 -0.07 0.00 0.00 0.00 0.00 44.72 43.76 1yaj s GLY 210 CO 0.00 -0.73 0.22 0.21 0.00 0.00 0.00 173.10 172.80 1yaj s ASN 211 N -4.18 5.47 0.50 1.64 2.47 0.44 -3.83 114.94 117.46 1yaj s ASN 211 Ca 0.47 -1.58 0.30 0.00 0.42 0.00 0.00 52.86 52.48 1yaj s ASN 211 Cb -0.10 -1.92 1.62 0.00 -1.45 0.00 0.00 41.25 39.40 1yaj s ASN 211 CO 0.40 -0.50 1.90 1.55 -3.72 0.00 0.00 177.10 176.72 1yaj h PRO 212 N 8.29 0.00 -0.00 0.43 0.13 -1.88 0.18 132.00 139.14 1yaj h PRO 212 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1yaj h PRO 212 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1yaj h PRO 212 CO 0.72 0.00 -0.26 0.41 -0.23 0.00 0.00 178.00 178.64 1yaj n GLY 213 N -1.21 -1.30 2.53 1.56 0.00 -1.26 -4.22 105.19 101.29 1yaj n GLY 213 Ca -0.02 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 1yaj n GLY 213 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yaj n SER 214 N -1.42 2.51 -4.79 1.61 2.88 0.05 -4.86 113.62 109.60 1yaj n SER 214 Ca 0.07 -3.32 -0.39 0.00 -1.33 0.00 0.00 58.87 53.90 1yaj n SER 214 Cb 0.33 -0.59 -0.06 0.00 -0.75 0.00 0.00 64.21 63.14 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 -3.34 4.60 -0.14 2.46 1.01 -1.26 -2.71 120.40 121.04 1yaj s VAL 215 Ca 0.44 1.43 -0.01 0.00 0.00 0.00 0.00 61.98 63.84 1yaj s VAL 215 Cb 0.31 -4.01 0.04 0.00 0.00 0.00 0.00 36.38 32.73 1yaj s VAL 215 CO -0.11 0.52 -0.01 -0.89 0.00 0.00 0.00 175.10 174.61 1yaj s THR 216 N -1.00 0.73 0.03 3.92 2.01 0.56 -0.15 115.64 121.74 1yaj s THR 216 Ca 0.32 -0.36 -0.08 0.00 0.31 0.00 0.00 61.69 61.89 1yaj s THR 216 Cb -0.21 -0.97 -0.05 0.00 0.01 0.00 0.00 72.50 71.28 1yaj s THR 216 CO 0.22 0.10 0.32 0.27 -0.69 0.00 0.00 174.62 174.83 1yaj s ILE 217 N 1.80 5.22 -0.13 1.82 -4.36 -0.85 -0.52 121.20 124.19 1yaj s ILE 217 Ca 0.02 0.30 -0.29 0.00 -0.26 0.00 0.00 60.65 60.41 1yaj s ILE 217 Cb -0.15 -3.60 0.07 0.00 1.25 0.00 0.00 42.46 40.04 1yaj s ILE 217 CO -0.07 0.36 0.70 0.72 0.24 0.00 0.00 174.94 176.89 1yaj s PHE 218 N -1.31 -0.70 -0.11 1.37 -0.71 -0.66 -1.35 117.98 114.51 1yaj s PHE 218 Ca 0.29 1.39 -0.30 0.00 -1.04 0.00 0.00 56.93 57.26 1yaj s PHE 218 Cb -0.14 0.36 0.10 0.00 -1.21 0.00 0.00 43.02 42.14 1yaj s PHE 218 CO 0.16 -0.53 0.85 0.20 -1.34 0.00 0.00 175.22 174.56 1yaj s GLY 219 N -0.66 -0.42 0.03 1.99 0.00 -1.00 -0.11 107.32 107.15 1yaj s GLY 219 Ca -0.07 1.69 -0.06 0.00 0.00 0.00 0.00 44.72 46.28 1yaj s GLY 219 CO 0.07 1.00 0.28 1.85 0.00 0.00 0.00 173.10 176.31 1yaj s GLU 220 N -1.13 3.59 7.66 2.90 -6.30 -1.24 -0.95 118.70 123.23 1yaj s GLU 220 Ca -0.06 -0.07 0.00 0.00 -2.50 0.00 0.00 54.97 52.34 1yaj s GLU 220 Cb -0.00 -3.05 0.00 0.00 0.00 0.00 0.00 34.13 31.07 1yaj s GLU 220 CO 0.06 0.63 0.00 0.45 0.02 0.00 0.00 175.26 176.41 1yaj n SER 221 N 0.99 0.00 -0.16 -1.70 2.88 -0.21 -0.39 113.62 115.03 1yaj n SER 221 Ca -0.10 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.51 1yaj n SER 221 Cb 0.53 0.00 0.38 0.00 -0.75 0.00 0.00 64.21 64.37 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 -0.96 1.75 -0.47 -1.46 0.00 -1.91 0.31 119.26 116.53 1yaj h ALA 222 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1yaj h ALA 222 Cb 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1yaj h ALA 222 CO 0.00 0.13 0.23 0.78 0.00 0.00 0.00 179.25 180.39 1yaj h GLY 223 N 0.69 0.65 0.98 0.00 0.00 -0.83 -0.80 103.07 103.75 1yaj h GLY 223 Ca 0.30 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.47 1yaj h GLY 223 CO -0.10 0.10 0.21 -1.33 0.00 0.00 0.00 176.54 175.42 1yaj h GLY 224 N 0.46 0.50 0.95 4.60 0.00 0.14 -1.72 103.07 107.99 1yaj h GLY 224 Ca 0.21 -0.21 0.08 0.00 0.00 0.00 0.00 47.33 47.40 1yaj h GLY 224 CO -0.15 0.20 0.49 -2.09 0.00 0.00 0.00 176.54 175.00 1yaj h GLU 225 N 0.45 0.71 -0.70 4.80 4.22 -0.45 0.30 114.58 123.90 1yaj h GLU 225 Ca 0.12 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.51 1yaj h GLU 225 Cb 0.01 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 1yaj h GLU 225 CO -0.02 0.47 0.39 0.77 -2.18 0.00 0.00 179.01 178.44 1yaj h SER 226 N 0.73 0.85 0.50 1.04 0.02 -0.26 -0.32 113.55 116.11 1yaj h SER 226 Ca 0.33 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.20 1yaj h SER 226 Cb 0.35 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1yaj h SER 226 CO -0.12 0.67 -0.24 0.58 -1.14 0.00 0.00 176.83 176.59 1yaj h VAL 227 N 0.97 0.47 -0.91 2.27 2.07 -0.00 -0.50 116.25 120.61 1yaj h VAL 227 Ca 0.25 -0.26 0.25 0.00 0.82 0.00 0.00 66.70 67.76 1yaj h VAL 227 Cb 0.00 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 1yaj h VAL 227 CO -0.04 0.04 0.64 -1.28 0.02 0.00 0.00 177.57 176.95 1yaj h SER 228 N -0.84 0.13 -0.01 0.57 0.87 -0.63 -0.17 113.55 113.47 1yaj h SER 228 Ca -0.07 0.02 -0.19 0.00 -1.23 0.00 0.00 61.79 60.32 1yaj h SER 228 Cb 0.58 -0.01 0.01 0.00 -0.44 0.00 0.00 62.40 62.55 1yaj h SER 228 CO 0.11 0.04 -0.74 0.58 -0.53 0.00 0.00 176.83 176.30 1yaj h VAL 229 N 0.13 1.37 -0.20 2.23 2.07 -0.69 -2.75 116.25 118.41 1yaj h VAL 229 Ca 0.45 -2.11 0.00 0.00 0.82 0.00 0.00 66.70 65.86 1yaj h VAL 229 Cb 1.57 2.49 -0.01 0.00 -1.52 0.00 0.00 31.29 33.83 1yaj h VAL 229 CO -0.07 0.63 0.13 -0.07 0.02 0.00 0.00 177.57 178.21 1yaj h LEU 230 N 0.08 0.23 -1.34 2.57 3.38 0.60 0.35 115.31 121.18 1yaj h LEU 230 Ca -0.09 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 57.95 1yaj h LEU 230 Cb 1.43 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 42.07 1yaj h LEU 230 CO 0.15 0.17 0.51 0.58 0.09 0.00 0.00 178.44 179.94 1yaj h VAL 231 N 0.27 0.98 -0.01 1.22 2.07 -1.32 0.54 116.25 119.99 1yaj h VAL 231 Ca 0.07 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1yaj h VAL 231 Cb -0.02 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 1yaj h VAL 231 CO -0.02 0.14 -0.27 0.18 0.02 0.00 0.00 177.57 177.63 1yaj n LEU 232 N -4.50 0.85 -4.80 2.57 4.77 -0.81 -4.86 117.00 110.22 1yaj n LEU 232 Ca 0.13 -0.17 -0.38 0.00 -0.03 0.00 0.00 56.01 55.56 1yaj n LEU 232 Cb 0.29 -0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 1yaj n LEU 232 CO 0.33 0.16 0.07 -0.55 -1.33 0.00 0.00 177.39 176.08 1yaj s SER 233 N -2.58 6.69 0.29 -1.43 0.15 0.12 -4.97 113.70 111.97 1yaj s SER 233 Ca 0.23 0.82 0.10 0.00 0.70 0.00 0.00 55.95 57.79 1yaj s SER 233 Cb 0.19 -2.23 0.42 0.00 -1.71 0.00 0.00 66.02 62.69 1yaj s SER 233 CO 0.54 0.23 1.66 -0.65 1.20 0.00 0.00 173.24 176.22 1yaj h PRO 234 N 5.45 0.05 -0.49 5.44 0.11 -1.82 -3.12 132.00 137.62 1yaj h PRO 234 Ca -0.48 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 1yaj h PRO 234 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1yaj h PRO 234 CO 0.66 0.59 -0.00 -0.07 -0.21 0.00 0.00 178.00 178.97 1yaj h LEU 235 N 0.04 0.86 -2.23 2.35 3.38 -1.85 -2.87 115.31 114.99 1yaj h LEU 235 Ca -0.00 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.68 1yaj h LEU 235 Cb 0.99 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1yaj h LEU 235 CO 0.07 0.96 0.08 0.00 0.09 0.00 0.00 178.44 179.65 1yaj h ALA 236 N 0.93 1.82 -1.47 1.53 0.00 -1.76 -3.45 119.26 116.87 1yaj h ALA 236 Ca 0.14 -0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.37 1yaj h ALA 236 Cb 0.52 0.01 0.08 0.00 0.00 0.00 0.00 17.79 18.40 1yaj h ALA 236 CO 0.03 -0.13 0.04 1.17 0.00 0.00 0.00 179.25 180.35 1yaj n LYS 237 N -4.09 0.71 -0.97 0.00 4.81 -1.09 -1.27 118.16 116.26 1yaj n LYS 237 Ca -0.01 0.25 0.00 0.00 -0.87 0.00 0.00 58.31 57.69 1yaj n LYS 237 Cb 0.19 -1.63 0.00 0.00 0.02 0.00 0.00 35.03 33.62 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 1.84 -2.53 -0.78 3.14 3.02 -1.26 -4.83 115.26 113.86 1yaj n ASN 238 Ca 0.16 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.78 1yaj n ASN 238 Cb 0.22 -0.92 0.18 0.00 -0.61 0.00 0.00 39.78 38.65 1yaj n ASN 238 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1yaj n LEU 239 N 0.00 3.04 -3.57 3.41 4.77 -0.40 -4.98 117.00 119.27 1yaj n LEU 239 Ca 0.00 -1.87 -0.07 0.00 -0.03 0.00 0.00 56.01 54.04 1yaj n LEU 239 Cb 0.07 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 40.87 1yaj n LEU 239 CO 0.00 0.74 0.86 0.72 -1.33 0.00 0.00 177.39 178.38 1yaj s PHE 240 N -1.02 -0.25 0.00 -1.77 -0.71 -1.26 -4.90 117.98 108.06 1yaj s PHE 240 Ca 0.28 0.27 0.00 0.00 -1.04 0.00 0.00 56.93 56.44 1yaj s PHE 240 Cb 0.15 0.50 0.00 0.00 -1.21 0.00 0.00 43.02 42.46 1yaj s PHE 240 CO 0.20 -0.33 0.39 0.72 -1.34 0.00 0.00 175.22 174.85 1yaj n HIS 241 N 0.16 0.00 -3.65 3.49 8.25 0.79 -4.95 115.22 119.31 1yaj n HIS 241 Ca -0.05 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.26 1yaj n HIS 241 Cb 0.59 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.62 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 -0.01 0.77 0.02 -0.41 0.52 -1.12 -4.15 118.95 114.57 1yaj s ARG 242 Ca 0.00 0.51 0.02 0.00 -0.52 0.00 0.00 55.73 55.75 1yaj s ARG 242 Cb 0.00 0.37 -0.02 0.00 0.52 0.00 0.00 34.95 35.82 1yaj s ARG 242 CO 0.00 -0.16 -0.08 0.00 0.02 0.00 0.00 175.30 175.09 1yaj s ALA 243 N -0.32 0.59 -0.20 2.13 0.00 -0.50 -2.00 121.76 121.46 1yaj s ALA 243 Ca -0.05 -0.56 -0.04 0.00 0.00 0.00 0.00 51.96 51.31 1yaj s ALA 243 Cb -0.03 -0.04 0.07 0.00 0.00 0.00 0.00 23.12 23.11 1yaj s ALA 243 CO 0.04 0.06 0.08 0.42 0.00 0.00 0.00 175.76 176.36 1yaj s ILE 244 N -0.81 0.12 -0.58 0.00 1.01 -0.46 -0.54 121.20 119.93 1yaj s ILE 244 Ca -0.04 -0.41 -0.13 0.00 0.00 0.00 0.00 60.65 60.06 1yaj s ILE 244 Cb -0.07 -0.81 0.15 0.00 0.01 0.00 0.00 42.46 41.75 1yaj s ILE 244 CO 0.00 -0.35 0.51 -0.44 0.00 0.00 0.00 174.94 174.67 1yaj s SER 245 N 2.04 6.15 -0.46 3.58 0.01 -0.97 -2.37 113.70 121.67 1yaj s SER 245 Ca 0.03 -2.04 -0.23 0.00 1.31 0.00 0.00 55.95 55.01 1yaj s SER 245 Cb -0.16 -2.15 0.03 0.00 0.21 0.00 0.00 66.02 63.95 1yaj s SER 245 CO -0.14 -0.74 0.79 -1.61 0.41 0.00 0.00 173.24 171.95 1yaj s GLU 246 N 1.19 3.38 -1.04 12.44 2.02 -0.94 -2.23 118.70 133.53 1yaj s GLU 246 Ca 0.07 -0.16 -0.07 0.00 0.02 0.00 0.00 54.97 54.83 1yaj s GLU 246 Cb -0.25 -3.96 -0.06 0.00 0.10 0.00 0.00 34.13 29.97 1yaj s GLU 246 CO -0.01 -1.16 0.89 0.43 0.02 0.00 0.00 175.26 175.43 1yaj n SER 247 N 6.77 -6.59 0.00 -0.19 7.64 0.28 -1.05 113.62 120.48 1yaj n SER 247 Ca 0.02 -0.70 0.00 0.00 1.01 0.00 0.00 58.87 59.20 1yaj n SER 247 Cb 0.48 -5.00 0.00 0.00 -1.01 0.00 0.00 64.21 58.68 1yaj n SER 247 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yaj n GLY 248 N -1.32 2.96 3.39 0.23 0.00 -1.26 -1.77 105.19 107.41 1yaj n GLY 248 Ca -0.07 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 1yaj n GLY 248 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1yaj s VAL 249 N 0.00 0.66 -1.68 1.61 -7.23 -1.26 -2.15 120.40 110.35 1yaj s VAL 249 Ca 0.00 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.26 1yaj s VAL 249 Cb 0.00 -2.60 0.21 0.00 0.56 0.00 0.00 36.38 34.55 1yaj s VAL 249 CO 0.00 0.00 1.10 0.00 -0.31 0.00 0.00 175.10 175.89 1yaj n ALA 250 N -0.62 1.71 -0.94 1.32 0.00 -1.26 -1.57 120.51 119.14 1yaj n ALA 250 Ca -0.01 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.45 1yaj n ALA 250 Cb 0.66 -1.15 0.35 0.00 0.00 0.00 0.00 19.45 19.31 1yaj n ALA 250 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1yaj n LEU 251 N -1.16 5.01 -4.24 0.00 4.77 -1.26 -4.74 117.00 115.38 1yaj n LEU 251 Ca 0.06 -2.97 -0.44 0.00 -0.03 0.00 0.00 56.01 52.63 1yaj n LEU 251 Cb 0.05 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 1yaj n LEU 251 CO 0.06 0.65 1.39 0.41 -1.33 0.00 0.00 177.39 178.57 1yaj n THR 252 N 0.17 4.47 -0.06 -5.08 -1.04 -0.61 -4.81 114.28 107.31 1yaj n THR 252 Ca 0.25 -4.92 -0.01 0.00 -2.04 0.00 0.00 64.05 57.33 1yaj n THR 252 Cb 1.08 -2.42 -0.01 0.00 -1.82 0.00 0.00 70.33 67.16 1yaj n THR 252 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1yaj n SER 253 N 4.10 -0.14 -0.50 8.00 3.41 -1.26 -0.55 113.62 126.67 1yaj n SER 253 Ca 0.34 0.27 0.42 0.00 -0.26 0.00 0.00 58.87 59.64 1yaj n SER 253 Cb 0.39 -0.04 0.75 0.00 -0.26 0.00 0.00 64.21 65.05 1yaj n SER 253 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1yaj h VAL 254 N 0.00 0.20 0.00 -3.33 3.04 -1.77 0.66 116.25 115.05 1yaj h VAL 254 Ca 0.03 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.71 1yaj h VAL 254 Cb 0.07 0.16 0.00 0.00 -2.01 0.00 0.00 31.29 29.51 1yaj h VAL 254 CO -0.15 0.01 -0.78 0.18 -1.01 0.00 0.00 177.57 175.82 1yaj n LEU 255 N -4.20 0.66 -4.13 3.16 4.77 0.28 -4.79 117.00 112.75 1yaj n LEU 255 Ca 0.35 0.13 -0.33 0.00 -0.03 0.00 0.00 56.01 56.13 1yaj n LEU 255 Cb 1.57 -0.15 -0.16 0.00 -2.33 0.00 0.00 43.42 42.35 1yaj n LEU 255 CO 0.38 -0.01 -0.50 -0.69 -1.33 0.00 0.00 177.39 175.23 1yaj s VAL 256 N -3.18 2.21 -0.38 4.08 1.01 0.22 -0.85 120.40 123.51 1yaj s VAL 256 Ca 0.05 -1.01 -0.26 0.00 0.00 0.00 0.00 61.98 60.77 1yaj s VAL 256 Cb 0.14 -2.00 0.02 0.00 0.00 0.00 0.00 36.38 34.54 1yaj s VAL 256 CO 0.75 0.44 0.93 -0.54 0.00 0.00 0.00 175.10 176.67 1yaj s LYS 257 N 1.28 3.82 0.16 2.72 -0.14 0.17 -4.84 119.74 122.92 1yaj s LYS 257 Ca 0.03 0.55 0.05 0.00 -1.36 0.00 0.00 55.97 55.23 1yaj s LYS 257 Cb -0.14 -3.81 -0.04 0.00 -1.68 0.00 0.00 37.83 32.16 1yaj s LYS 257 CO -0.11 -0.97 0.17 0.15 -0.76 0.00 0.00 175.35 173.83 1yaj s LYS 258 N 3.50 3.00 1.26 1.68 1.02 -1.26 -4.43 119.74 124.52 1yaj s LYS 258 Ca 0.38 -0.83 0.00 0.00 0.02 0.00 0.00 55.97 55.55 1yaj s LYS 258 Cb -0.12 -2.70 0.00 0.00 -0.52 0.00 0.00 37.83 34.49 1yaj s LYS 258 CO 0.19 0.49 0.00 0.41 -0.92 0.00 0.00 175.35 175.52 1yaj n GLY 259 N -0.41 -0.68 3.67 -3.33 0.00 -1.26 -4.82 105.19 98.36 1yaj n GLY 259 Ca -0.08 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 1yaj n GLY 259 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yaj s ASP 260 N -4.00 6.99 0.06 1.61 2.15 -1.26 -4.92 116.67 117.30 1yaj s ASP 260 Ca 0.00 1.21 0.23 0.00 0.43 0.00 0.00 52.55 54.42 1yaj s ASP 260 Cb 0.00 -2.47 -0.01 0.00 -0.30 0.00 0.00 42.92 40.14 1yaj s ASP 260 CO 0.00 -0.43 0.96 1.33 -0.17 0.00 0.00 175.17 176.86 1yaj n VAL 261 N 4.81 0.22 -0.29 1.11 0.24 -1.26 -4.40 118.33 118.76 1yaj n VAL 261 Ca 0.06 -0.32 0.10 0.00 -2.04 0.00 0.00 64.34 62.14 1yaj n VAL 261 Cb 0.48 0.11 0.25 0.00 -1.47 0.00 0.00 33.84 33.22 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 0.00 0.41 -0.62 7.34 1.63 -1.85 -1.94 116.57 121.55 1yaj h LYS 262 Ca 0.00 -0.02 0.08 0.00 -0.85 0.00 0.00 60.65 59.86 1yaj h LYS 262 Cb 0.80 -0.09 -0.06 0.00 -0.60 0.00 0.00 32.23 32.27 1yaj h LYS 262 CO 0.00 0.27 0.28 -1.35 -3.45 0.00 0.00 179.45 175.20 1yaj h PRO 263 N 0.42 0.49 -0.49 1.90 0.11 -1.92 -1.39 132.00 131.12 1yaj h PRO 263 Ca 0.50 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.54 1yaj h PRO 263 Cb 0.87 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.85 1yaj h PRO 263 CO -0.48 0.32 0.16 1.25 -0.21 0.00 0.00 178.00 179.04 1yaj h LEU 264 N 0.50 0.66 -0.34 2.35 6.46 -1.65 -2.36 115.31 120.93 1yaj h LEU 264 Ca 0.30 -0.09 -0.07 0.00 -0.12 0.00 0.00 57.88 57.90 1yaj h LEU 264 Cb 0.31 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 1yaj h LEU 264 CO -0.25 0.63 -0.05 0.00 -0.62 0.00 0.00 178.44 178.15 1yaj h ALA 265 N 1.46 0.47 0.00 1.25 0.00 -1.08 -1.19 119.26 120.18 1yaj h ALA 265 Ca 0.17 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1yaj h ALA 265 Cb 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1yaj h ALA 265 CO -0.01 0.28 0.00 0.93 0.00 0.00 0.00 179.25 180.45 1yaj h GLU 266 N 0.43 0.00 0.10 0.00 5.08 -1.11 -0.62 114.58 118.46 1yaj h GLU 266 Ca 0.09 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.25 1yaj h GLU 266 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1yaj h GLU 266 CO 0.03 0.00 -1.01 0.37 -1.00 0.00 0.00 179.01 177.40 1yaj h GLN 267 N 0.00 0.22 0.31 2.33 4.15 -0.83 -3.11 115.11 118.18 1yaj h GLN 267 Ca 0.00 -0.37 -0.02 0.00 0.77 0.00 0.00 58.65 59.04 1yaj h GLN 267 Cb 0.32 0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.15 1yaj h GLN 267 CO 0.00 1.18 -0.15 0.82 -1.93 0.00 0.00 178.83 178.75 1yaj h ILE 268 N -0.47 0.71 -0.67 2.39 2.04 -0.94 -2.11 117.51 118.46 1yaj h ILE 268 Ca -0.21 -0.43 0.14 0.00 1.00 0.00 0.00 64.86 65.36 1yaj h ILE 268 Cb 1.59 0.94 -0.12 0.00 -0.74 0.00 0.00 36.82 38.48 1yaj h ILE 268 CO 0.06 0.09 -0.08 0.00 0.00 0.00 0.00 178.15 178.22 1yaj h ALA 269 N -0.07 0.57 -0.78 1.87 0.00 -1.28 0.26 119.26 119.83 1yaj h ALA 269 Ca -0.04 0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1yaj h ALA 269 Cb 0.47 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1yaj h ALA 269 CO 0.07 -0.42 0.35 0.82 0.00 0.00 0.00 179.25 180.08 1yaj h ILE 270 N 0.05 1.25 0.00 0.00 2.04 -1.52 -0.87 117.51 118.46 1yaj h ILE 270 Ca 0.34 -0.72 -0.08 0.00 1.00 0.00 0.00 64.86 65.41 1yaj h ILE 270 Cb 0.56 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1yaj h ILE 270 CO -0.64 0.30 -0.36 0.74 0.00 0.00 0.00 178.15 178.19 1yaj h THR 271 N 1.11 0.94 -0.47 -0.27 2.02 -0.07 -2.01 112.91 114.16 1yaj h THR 271 Ca 0.27 -1.42 0.00 0.00 0.77 0.00 0.00 66.41 66.03 1yaj h THR 271 Cb 0.14 1.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1yaj h THR 271 CO -0.03 0.36 0.00 0.00 0.37 0.00 0.00 175.52 176.21 1yaj n ALA 272 N -2.33 2.80 -2.71 6.16 0.00 0.63 -4.79 120.51 120.27 1yaj n ALA 272 Ca -0.01 -1.05 -0.04 0.00 0.00 0.00 0.00 53.44 52.34 1yaj n ALA 272 Cb 0.47 -1.01 0.01 0.00 0.00 0.00 0.00 19.45 18.92 1yaj n ALA 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yaj n GLY 273 N 0.98 -1.18 3.22 0.00 0.00 -0.75 -5.03 105.19 102.43 1yaj n GLY 273 Ca 0.18 0.80 -0.09 0.00 0.00 0.00 0.00 46.02 46.91 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 -3.54 4.39 -0.19 0.00 1.02 -1.26 -4.29 119.74 115.86 1yaj s LYS 275 Ca 0.02 1.03 0.16 0.00 0.02 0.00 0.00 55.97 57.20 1yaj s LYS 275 Cb 0.03 -2.93 0.49 0.00 -0.52 0.00 0.00 37.83 34.90 1yaj s LYS 275 CO -0.09 0.40 1.39 0.25 -0.92 0.00 0.00 175.35 176.38 1yaj n THR 276 N 0.84 2.28 -0.29 2.17 -2.24 -1.26 -4.09 114.28 111.69 1yaj n THR 276 Ca -0.02 -2.10 0.09 0.00 -2.27 0.00 0.00 64.05 59.75 1yaj n THR 276 Cb 0.50 -0.27 0.25 0.00 -2.10 0.00 0.00 70.33 68.72 1yaj n THR 276 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1yaj h THR 277 N 1.39 0.56 -3.61 4.28 2.02 -1.96 -3.44 112.91 112.15 1yaj h THR 277 Ca 0.04 -0.15 -0.08 0.00 0.77 0.00 0.00 66.41 67.00 1yaj h THR 277 Cb 1.42 0.10 -0.14 0.00 -1.74 0.00 0.00 68.15 67.79 1yaj h THR 277 CO 0.22 0.08 -0.27 0.42 0.37 0.00 0.00 175.52 176.34 1yaj s THR 278 N -5.95 0.11 0.23 3.16 -4.23 -1.26 -5.03 115.64 102.67 1yaj s THR 278 Ca -0.12 -0.93 -0.07 0.00 -1.18 0.00 0.00 61.69 59.39 1yaj s THR 278 Cb 0.23 -1.21 0.19 0.00 1.34 0.00 0.00 72.50 73.05 1yaj s THR 278 CO 0.77 -0.51 1.83 0.28 -0.54 0.00 0.00 174.62 176.45 1yaj h SER 279 N 2.75 1.13 -0.39 3.99 0.02 -1.97 0.15 113.55 119.23 1yaj h SER 279 Ca -0.34 -0.13 0.03 0.00 -0.84 0.00 0.00 61.79 60.52 1yaj h SER 279 Cb 1.21 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 63.44 1yaj h SER 279 CO 0.52 0.93 0.26 0.00 -1.14 0.00 0.00 176.83 177.40 1yaj h ALA 280 N 1.24 1.84 0.03 3.77 0.00 -1.96 -1.95 119.26 122.23 1yaj h ALA 280 Ca 0.30 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.08 1yaj h ALA 280 Cb 0.09 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1yaj h ALA 280 CO -0.04 0.12 -0.44 0.28 0.00 0.00 0.00 179.25 179.16 1yaj h VAL 281 N 0.43 1.54 -0.39 0.00 2.07 -1.59 -3.12 116.25 115.18 1yaj h VAL 281 Ca 0.16 -2.17 0.08 0.00 0.82 0.00 0.00 66.70 65.59 1yaj h VAL 281 Cb 0.11 2.90 -0.07 0.00 -1.52 0.00 0.00 31.29 32.71 1yaj h VAL 281 CO -0.04 0.60 -0.06 0.24 0.02 0.00 0.00 177.57 178.34 1yaj h MET 282 N -0.43 0.04 0.64 1.57 0.00 -0.14 -1.23 114.93 115.38 1yaj h MET 282 Ca -0.06 -0.00 -0.03 0.00 0.00 0.00 0.00 59.70 59.61 1yaj h MET 282 Cb 1.23 -0.01 -0.00 0.00 0.00 0.00 0.00 31.60 32.82 1yaj h MET 282 CO 0.09 0.03 -0.37 0.28 0.00 0.00 0.00 176.91 176.93 1yaj h VAL 283 N 0.04 0.24 -0.94 -2.22 2.07 -1.50 -0.93 116.25 113.01 1yaj h VAL 283 Ca 0.19 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.96 1yaj h VAL 283 Cb 0.28 0.24 -0.13 0.00 -1.52 0.00 0.00 31.29 30.16 1yaj h VAL 283 CO -0.37 0.00 0.46 -0.74 0.02 0.00 0.00 177.57 176.94 1yaj h HIS 284 N -0.95 0.77 -0.33 1.57 -0.00 -1.43 0.20 115.15 114.97 1yaj h HIS 284 Ca -0.08 0.04 -0.07 0.00 -0.00 0.00 0.00 60.37 60.26 1yaj h HIS 284 Cb 0.76 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.97 1yaj h HIS 284 CO -0.09 -0.06 -0.07 0.00 -0.00 0.00 0.00 177.93 177.72 1yaj h LEU 286 N 0.41 0.00 -0.47 0.00 3.38 0.72 -2.49 115.31 116.86 1yaj h LEU 286 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1yaj h LEU 286 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1yaj h LEU 286 CO 0.03 0.12 0.00 0.03 0.09 0.00 0.00 178.44 178.71 1yaj h ARG 287 N 0.00 0.00 0.09 1.13 3.08 -0.82 -3.19 114.38 114.67 1yaj h ARG 287 Ca -0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 1yaj h ARG 287 Cb 0.53 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.59 1yaj h ARG 287 CO 0.02 0.00 -0.70 1.96 -1.07 0.00 0.00 179.97 180.18 1yaj h GLN 288 N 0.00 0.18 -6.14 0.04 1.08 -1.38 -3.47 115.11 105.43 1yaj h GLN 288 Ca 0.00 -0.31 -0.62 0.00 -1.45 0.00 0.00 58.65 56.27 1yaj h GLN 288 Cb 0.66 0.12 0.15 0.00 -0.05 0.00 0.00 27.48 28.36 1yaj h GLN 288 CO 0.00 1.15 -0.71 1.63 -0.95 0.00 0.00 178.83 179.95 1yaj n LYS 289 N -4.26 0.23 -2.76 1.46 4.76 -1.21 -4.92 118.16 111.47 1yaj n LYS 289 Ca -0.16 0.09 -0.33 0.00 -2.87 0.00 0.00 58.31 55.04 1yaj n LYS 289 Cb 0.73 -1.22 -0.06 0.00 -1.84 0.00 0.00 35.03 32.64 1yaj n LYS 289 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1yaj s THR 290 N -1.59 4.32 0.41 -0.18 -4.23 -1.26 -4.85 115.64 108.26 1yaj s THR 290 Ca 0.61 1.43 0.22 0.00 -1.18 0.00 0.00 61.69 62.77 1yaj s THR 290 Cb -0.62 -3.59 0.42 0.00 1.34 0.00 0.00 72.50 70.05 1yaj s THR 290 CO 0.60 -0.33 1.71 -0.08 -0.54 0.00 0.00 174.62 175.99 1yaj h GLU 291 N 1.81 0.28 -0.24 3.99 4.81 -1.97 0.59 114.58 123.85 1yaj h GLU 291 Ca -0.49 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 58.57 1yaj h GLU 291 Cb 1.19 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 1yaj h GLU 291 CO 0.61 0.18 -0.48 0.93 -0.73 0.00 0.00 179.01 179.52 1yaj h GLU 292 N 0.29 0.63 0.06 1.92 3.07 -1.99 -1.45 114.58 117.10 1yaj h GLU 292 Ca 0.68 -0.36 0.00 0.00 -0.50 0.00 0.00 59.36 59.18 1yaj h GLU 292 Cb 1.87 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 29.80 1yaj h GLU 292 CO -0.36 0.97 -0.04 0.93 -1.40 0.00 0.00 179.01 179.10 1yaj h GLU 293 N 0.50 -0.10 -0.98 2.33 5.08 -0.20 0.75 114.58 121.96 1yaj h GLU 293 Ca 0.03 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1yaj h GLU 293 Cb 1.02 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.24 1yaj h GLU 293 CO 0.10 -0.07 0.65 -0.07 -1.00 0.00 0.00 179.01 178.61 1yaj h LEU 294 N -0.11 1.11 -0.87 1.33 3.38 -1.27 -0.73 115.31 118.14 1yaj h LEU 294 Ca -0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1yaj h LEU 294 Cb 0.10 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 1yaj h LEU 294 CO -0.00 0.79 0.54 0.25 0.09 0.00 0.00 178.44 180.11 1yaj h LEU 295 N 1.30 1.04 -0.09 1.67 5.85 -0.60 0.12 115.31 124.60 1yaj h LEU 295 Ca 0.37 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 59.08 1yaj h LEU 295 Cb -0.11 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.61 1yaj h LEU 295 CO -0.09 0.79 -0.27 -0.33 -0.34 0.00 0.00 178.44 178.19 1yaj h GLU 296 N 1.20 -0.35 -0.93 1.25 5.08 0.59 0.19 114.58 121.61 1yaj h GLU 296 Ca 0.32 0.02 0.17 0.00 -1.00 0.00 0.00 59.36 58.87 1yaj h GLU 296 Cb -0.08 0.08 -0.10 0.00 0.50 0.00 0.00 28.75 29.15 1yaj h GLU 296 CO -0.06 -0.24 0.52 1.15 -1.00 0.00 0.00 179.01 179.38 1yaj h THR 297 N -0.37 0.72 0.00 1.13 2.02 -0.50 0.51 112.91 116.41 1yaj h THR 297 Ca 0.09 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 1yaj h THR 297 Cb 0.50 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.87 1yaj h THR 297 CO -0.30 0.13 -0.05 0.74 0.37 0.00 0.00 175.52 176.41 1yaj h THR 298 N 0.69 0.71 0.00 3.16 2.02 0.19 -0.31 112.91 119.37 1yaj h THR 298 Ca 0.52 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.52 1yaj h THR 298 Cb 0.77 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 1yaj h THR 298 CO -0.38 0.04 -0.98 0.18 0.37 0.00 0.00 175.52 174.76 1yaj n LEU 299 N -4.01 0.64 0.09 2.58 4.77 0.16 -3.90 117.00 117.32 1yaj n LEU 299 Ca -0.03 0.11 -0.18 0.00 -0.03 0.00 0.00 56.01 55.88 1yaj n LEU 299 Cb 0.13 -0.10 -0.14 0.00 -2.33 0.00 0.00 43.42 40.97 1yaj n LEU 299 CO 0.30 -0.03 -0.28 0.11 -1.33 0.00 0.00 177.39 176.17 1yaj h LYS 300 N 0.00 0.31 -0.50 3.23 1.57 0.57 -3.32 116.57 118.43 1yaj h LYS 300 Ca 0.00 -0.54 -0.02 0.00 -1.87 0.00 0.00 60.65 58.22 1yaj h LYS 300 Cb 0.80 0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 1yaj h LYS 300 CO 0.00 1.21 0.23 0.52 -0.57 0.00 0.00 179.45 180.84 1yaj h MET 301 N 0.09 0.70 -4.23 3.15 2.86 -1.24 -3.47 114.93 112.77 1yaj h MET 301 Ca -0.23 -0.09 -0.16 0.00 -2.06 0.00 0.00 59.70 57.17 1yaj h MET 301 Cb 2.04 -0.13 0.10 0.00 0.06 0.00 0.00 31.60 33.67 1yaj h MET 301 CO 0.19 0.55 -0.46 1.63 1.06 0.00 0.00 176.91 179.89 1yaj n LYS 302 N -4.37 -2.17 -1.80 1.72 5.02 -1.25 -5.04 118.16 110.26 1yaj n LYS 302 Ca 0.04 0.48 -0.29 0.00 -2.02 0.00 0.00 58.31 56.52 1yaj n LYS 302 Cb 0.13 -4.09 0.14 0.00 -0.02 0.00 0.00 35.03 31.20 1yaj n LYS 302 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1yaj s PHE 303 N -3.21 2.25 0.00 2.13 2.99 -1.26 -3.79 117.98 117.08 1yaj s PHE 303 Ca 0.16 0.60 0.00 0.00 0.00 0.00 0.00 56.93 57.69 1yaj s PHE 303 Cb -0.02 -3.70 0.00 0.00 0.00 0.00 0.00 43.02 39.30 1yaj s PHE 303 CO 0.41 -2.31 0.00 -0.11 -0.00 0.00 0.00 175.22 173.21 1yaj n LEU 304 N -3.64 0.93 -4.25 -0.37 7.94 -1.22 -4.92 117.00 111.48 1yaj n LEU 304 Ca 0.11 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.71 1yaj n LEU 304 Cb 0.60 -1.46 -0.16 0.00 0.53 0.00 0.00 43.42 42.93 1yaj n LEU 304 CO 0.52 -0.50 -0.55 -0.94 -1.11 0.00 0.00 177.39 174.82 1yaj s SER 305 N -2.07 2.74 -0.31 1.96 1.04 -1.25 -4.01 113.70 111.80 1yaj s SER 305 Ca 0.00 -0.43 -0.29 0.00 0.48 0.00 0.00 55.95 55.71 1yaj s SER 305 Cb 0.00 -0.45 -0.00 0.00 0.10 0.00 0.00 66.02 65.67 1yaj s SER 305 CO 0.00 0.26 1.38 -0.22 0.98 0.00 0.00 173.24 175.64 1yaj s LEU 306 N -0.40 3.81 -0.57 2.42 2.96 -1.13 -4.97 118.68 120.80 1yaj s LEU 306 Ca 0.05 1.19 -0.28 0.00 -0.22 0.00 0.00 54.13 54.87 1yaj s LEU 306 Cb -0.10 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.06 1yaj s LEU 306 CO 0.00 -1.19 1.51 -0.62 -1.32 0.00 0.00 176.35 174.73 1yaj s ASP 307 N 3.29 5.96 0.31 3.68 3.68 -1.26 -4.86 116.67 127.48 1yaj s ASP 307 Ca 0.60 0.28 0.15 0.00 2.13 0.00 0.00 52.55 55.72 1yaj s ASP 307 Cb -0.17 -2.54 0.42 0.00 -1.45 0.00 0.00 42.92 39.18 1yaj s ASP 307 CO 0.26 -1.84 1.61 0.25 0.13 0.00 0.00 175.17 175.58 1yaj h LEU 308 N 13.72 0.00 -8.39 -1.34 6.46 -1.93 -3.44 115.31 120.39 1yaj h LEU 308 Ca -0.27 0.00 -0.67 0.00 -0.12 0.00 0.00 57.88 56.81 1yaj h LEU 308 Cb 1.11 0.00 -0.32 0.00 -0.73 0.00 0.00 40.66 40.71 1yaj h LEU 308 CO 1.19 0.51 -0.88 0.00 -0.62 0.00 0.00 178.44 178.63 1yaj s GLN 309 N -3.40 2.71 0.00 1.25 -2.07 -1.26 -5.03 119.66 111.86 1yaj s GLN 309 Ca 0.01 -0.87 0.00 0.00 -1.82 0.00 0.00 55.36 52.68 1yaj s GLN 309 Cb 0.11 -2.17 0.00 0.00 -1.09 0.00 0.00 33.01 29.85 1yaj s GLN 309 CO 0.72 0.28 0.00 0.41 -1.32 0.00 0.00 175.29 175.38 1yaj n GLY 310 N 3.24 0.41 2.97 2.60 0.00 -1.26 -5.02 105.19 108.13 1yaj n GLY 310 Ca -0.18 -1.29 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 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 -4.00 3.22 0.58 1.61 -1.08 -1.26 -5.01 116.67 110.73 1yaj s ASP 311 Ca 0.00 -0.81 0.28 0.00 -0.52 0.00 0.00 52.55 51.51 1yaj s ASP 311 Cb 0.00 -1.15 1.51 0.00 -1.46 0.00 0.00 42.92 41.82 1yaj s ASP 311 CO 0.00 -0.15 1.96 -0.65 0.52 0.00 0.00 175.17 176.85 1yaj h PRO 312 N 8.01 0.00 0.07 4.34 0.11 -1.87 -0.64 132.00 142.02 1yaj h PRO 312 Ca -0.28 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.65 1yaj h PRO 312 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1yaj h PRO 312 CO 0.46 0.00 -0.93 0.00 -0.21 0.00 0.00 178.00 177.32 1yaj h ARG 313 N 0.00 0.14 0.00 1.05 3.08 -1.94 -3.33 114.38 113.38 1yaj h ARG 313 Ca 0.19 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1yaj h ARG 313 Cb 1.00 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1yaj h ARG 313 CO -0.00 1.12 0.00 0.39 -1.07 0.00 0.00 179.97 180.40 1yaj n GLU 314 N -4.23 0.09 -2.72 0.04 1.02 -1.00 -4.59 120.64 109.25 1yaj n GLU 314 Ca -0.21 0.17 -0.42 0.00 -0.02 0.00 0.00 57.16 56.68 1yaj n GLU 314 Cb 0.74 -1.62 -0.03 0.00 -0.02 0.00 0.00 31.44 30.51 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 -3.52 6.37 -0.20 1.62 0.15 -0.28 -4.98 113.70 112.86 1yaj s SER 315 Ca 0.10 -1.25 -0.29 0.00 0.70 0.00 0.00 55.95 55.21 1yaj s SER 315 Cb 0.14 -2.49 -0.03 0.00 -1.71 0.00 0.00 66.02 61.92 1yaj s SER 315 CO 0.46 -1.46 1.71 -1.58 1.20 0.00 0.00 173.24 173.57 1yaj s GLN 316 N 4.39 3.75 0.11 5.44 2.00 -1.26 -4.76 119.66 129.33 1yaj s GLN 316 Ca 0.34 1.77 -0.14 0.00 -2.00 0.00 0.00 55.36 55.33 1yaj s GLN 316 Cb -0.07 -4.09 -0.05 0.00 0.80 0.00 0.00 33.01 29.60 1yaj s GLN 316 CO 0.01 -1.36 1.49 -1.00 -0.50 0.00 0.00 175.29 173.93 1yaj h PRO 317 N 11.21 0.72 -0.68 1.67 0.13 -1.93 -3.47 132.00 139.65 1yaj h PRO 317 Ca -0.36 -0.31 0.23 0.00 -0.87 0.00 0.00 66.00 64.69 1yaj h PRO 317 Cb 1.17 -0.03 -0.31 0.00 0.13 0.00 0.00 31.00 31.96 1yaj h PRO 317 CO 0.99 0.91 0.67 -0.48 -0.23 0.00 0.00 178.00 179.87 1yaj s LEU 318 N -9.18 -0.05 0.66 1.56 2.34 -1.26 -3.37 118.68 109.37 1yaj s LEU 318 Ca -0.13 0.08 -0.18 0.00 0.06 0.00 0.00 54.13 53.97 1yaj s LEU 318 Cb 0.09 1.07 -0.01 0.00 -0.56 0.00 0.00 46.19 46.79 1yaj s LEU 318 CO 0.82 -0.01 1.20 0.00 -1.06 0.00 0.00 176.35 177.30 1yaj n LEU 319 N 3.65 5.36 0.00 1.48 -0.00 -1.26 -4.92 117.00 121.31 1yaj n LEU 319 Ca -0.13 0.80 0.00 0.00 -0.00 0.00 0.00 56.01 56.68 1yaj n LEU 319 Cb 0.56 -1.51 0.00 0.00 -0.00 0.00 0.00 43.42 42.47 1yaj n LEU 319 CO 0.02 -1.28 0.00 0.61 -0.00 0.00 0.00 177.39 176.74 1yaj n GLY 320 N 0.99 2.44 3.64 1.47 0.00 -1.26 -4.94 105.19 107.53 1yaj n GLY 320 Ca 0.15 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1yaj n GLY 320 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1yaj n THR 321 N 0.00 2.40 -4.17 2.61 -1.04 -0.03 -4.68 114.28 109.37 1yaj n THR 321 Ca 0.00 -0.50 -0.12 0.00 -2.04 0.00 0.00 64.05 61.39 1yaj n THR 321 Cb 0.00 -1.30 -0.09 0.00 -1.82 0.00 0.00 70.33 67.12 1yaj n THR 321 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1yaj s VAL 322 N -1.22 0.00 -1.18 12.58 -7.23 -1.26 0.46 120.40 122.55 1yaj s VAL 322 Ca 0.61 -1.89 -0.12 0.00 -1.81 0.00 0.00 61.98 58.77 1yaj s VAL 322 Cb -0.56 -2.45 0.21 0.00 0.56 0.00 0.00 36.38 34.14 1yaj s VAL 322 CO 0.58 0.00 1.33 -0.63 -0.31 0.00 0.00 175.10 176.07 1yaj s ILE 323 N -4.11 5.36 0.04 -0.62 -1.09 -1.26 -4.66 121.20 114.86 1yaj s ILE 323 Ca 0.36 -2.90 -0.24 0.00 -2.23 0.00 0.00 60.65 55.64 1yaj s ILE 323 Cb 0.05 -4.81 -0.17 0.00 -1.58 0.00 0.00 42.46 35.96 1yaj s ILE 323 CO 0.12 -1.48 1.49 -2.24 -1.23 0.00 0.00 174.94 171.61 1yaj h ASP 324 N 6.99 0.05 0.00 3.58 -0.00 -1.84 -3.47 116.42 121.72 1yaj h ASP 324 Ca 0.27 -0.26 0.00 0.00 -0.00 0.00 0.00 57.03 57.04 1yaj h ASP 324 Cb 0.87 -0.01 0.00 0.00 -0.00 0.00 0.00 39.33 40.19 1yaj h ASP 324 CO 1.17 0.30 0.00 0.61 -0.00 0.00 0.00 179.24 181.32 1yaj n GLY 325 N -0.39 1.05 0.28 7.15 0.00 -0.69 -4.95 105.19 107.64 1yaj n GLY 325 Ca -0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.92 1yaj n GLY 325 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1yaj n MET 326 N -0.46 0.08 -0.10 1.61 2.81 -1.26 -4.81 117.12 114.99 1yaj n MET 326 Ca 0.00 0.02 -0.13 0.00 -1.81 0.00 0.00 57.70 55.78 1yaj n MET 326 Cb 0.00 -0.94 -0.12 0.00 -0.71 0.00 0.00 33.22 31.45 1yaj n MET 326 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1yaj n LEU 327 N -2.77 1.78 -3.87 4.03 7.94 -1.26 -4.73 117.00 118.11 1yaj n LEU 327 Ca -0.06 -0.07 -0.27 0.00 -1.11 0.00 0.00 56.01 54.50 1yaj n LEU 327 Cb 0.56 -0.30 -0.17 0.00 0.53 0.00 0.00 43.42 44.04 1yaj n LEU 327 CO 0.03 0.70 -0.42 -0.76 -1.11 0.00 0.00 177.39 175.83 1yaj s LEU 328 N -5.92 1.20 0.00 -1.96 1.43 -1.26 -4.27 118.68 107.90 1yaj s LEU 328 Ca -0.22 -0.40 0.26 0.00 -1.03 0.00 0.00 54.13 52.75 1yaj s LEU 328 Cb 0.07 -0.77 0.77 0.00 0.03 0.00 0.00 46.19 46.29 1yaj s LEU 328 CO 0.61 -0.16 1.60 0.18 0.23 0.00 0.00 176.35 178.80 1yaj n LEU 329 N 4.97 0.39 -3.58 1.79 4.77 -1.26 -1.71 117.00 122.37 1yaj n LEU 329 Ca -0.11 0.12 -0.06 0.00 -0.03 0.00 0.00 56.01 55.93 1yaj n LEU 329 Cb 0.49 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 1yaj n LEU 329 CO 0.15 0.09 0.79 -1.59 -1.33 0.00 0.00 177.39 175.50 1yaj s LYS 330 N -2.93 0.75 0.50 3.23 -2.85 -1.26 -4.91 119.74 112.27 1yaj s LYS 330 Ca 0.14 -0.32 -0.22 0.00 -1.00 0.00 0.00 55.97 54.57 1yaj s LYS 330 Cb 0.18 0.32 -0.08 0.00 -2.06 0.00 0.00 37.83 36.19 1yaj s LYS 330 CO 0.63 -0.33 1.09 0.25 0.10 0.00 0.00 175.35 177.08 1yaj n THR 331 N -0.28 3.10 0.32 3.79 -2.24 -1.26 -4.73 114.28 112.98 1yaj n THR 331 Ca -0.06 -0.50 0.20 0.00 -2.27 0.00 0.00 64.05 61.41 1yaj n THR 331 Cb 0.61 -1.30 1.08 0.00 -2.10 0.00 0.00 70.33 68.62 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 1.24 0.00 0.00 -0.78 0.11 -1.99 0.12 132.00 130.70 1yaj h PRO 332 Ca -0.47 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1yaj h PRO 332 Cb 1.33 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.44 1yaj h PRO 332 CO 0.55 0.00 -0.12 0.93 -0.21 0.00 0.00 178.00 179.16 1yaj h GLU 333 N 0.00 0.00 -0.01 1.05 3.07 -1.90 -2.47 114.58 114.33 1yaj h GLU 333 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1yaj h GLU 333 Cb 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 1yaj h GLU 333 CO -0.00 0.12 -0.68 0.39 -1.40 0.00 0.00 179.01 177.43 1yaj n GLU 334 N -3.21 1.09 -0.03 2.33 1.02 0.35 -4.46 120.64 117.72 1yaj n GLU 334 Ca 0.01 -0.39 -0.20 0.00 -0.02 0.00 0.00 57.16 56.56 1yaj n GLU 334 Cb 0.42 -1.38 -0.13 0.00 -0.02 0.00 0.00 31.44 30.32 1yaj n GLU 334 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1yaj h LEU 335 N 0.91 0.23 -1.92 -4.62 3.38 -0.98 -3.36 115.31 108.95 1yaj h LEU 335 Ca 0.00 -0.79 0.14 0.00 0.09 0.00 0.00 57.88 57.32 1yaj h LEU 335 Cb 0.54 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1yaj h LEU 335 CO 0.00 1.50 0.37 1.56 0.09 0.00 0.00 178.44 181.96 1yaj h GLN 336 N -0.57 0.08 0.00 1.13 4.20 -1.67 -1.23 115.11 117.04 1yaj h GLN 336 Ca -0.27 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.43 1yaj h GLN 336 Cb 1.54 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.30 1yaj h GLN 336 CO -0.02 0.05 0.00 0.00 -0.67 0.00 0.00 178.83 178.19 1yaj n ALA 337 N -2.61 1.60 -3.68 3.87 0.00 -1.26 -4.44 120.51 113.98 1yaj n ALA 337 Ca 0.09 -0.04 -0.35 0.00 0.00 0.00 0.00 53.44 53.14 1yaj n ALA 337 Cb 0.54 -1.14 -0.13 0.00 0.00 0.00 0.00 19.45 18.72 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 -2.53 2.25 0.03 0.00 -6.30 -0.47 -4.94 118.70 106.73 1yaj s GLU 338 Ca 0.09 -1.47 0.26 0.00 -2.50 0.00 0.00 54.97 51.35 1yaj s GLU 338 Cb 0.06 -3.32 1.08 0.00 0.00 0.00 0.00 34.13 31.95 1yaj s GLU 338 CO 0.13 -0.78 1.83 0.54 0.02 0.00 0.00 175.26 177.00 1yaj n ARG 339 N 4.60 0.03 -2.15 4.30 3.00 -1.26 -4.52 116.66 120.66 1yaj n ARG 339 Ca -0.09 0.07 -0.35 0.00 -0.01 0.00 0.00 57.85 57.48 1yaj n ARG 339 Cb 0.43 -1.54 -0.04 0.00 0.00 0.00 0.00 32.46 31.31 1yaj n ARG 339 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1yaj n ASN 340 N -1.59 3.70 -2.89 0.55 5.15 -1.26 -4.80 115.26 114.12 1yaj n ASN 340 Ca 0.06 -2.78 -0.01 0.00 -0.60 0.00 0.00 54.58 51.25 1yaj n ASN 340 Cb 0.31 -1.69 0.01 0.00 -0.53 0.00 0.00 39.78 37.89 1yaj n ASN 340 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 1yaj n PHE 341 N 11.41 -0.87 -2.98 1.20 7.35 -1.26 -5.15 117.46 127.16 1yaj n PHE 341 Ca 0.47 -0.82 -0.41 0.00 -0.76 0.00 0.00 57.45 55.94 1yaj n PHE 341 Cb 0.45 0.39 -0.05 0.00 0.35 0.00 0.00 39.48 40.63 1yaj n PHE 341 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 1yaj s HIS 342 N -2.78 3.48 0.05 -5.13 2.46 -1.26 -5.06 115.29 107.04 1yaj s HIS 342 Ca 0.19 1.21 0.05 0.00 0.47 0.00 0.00 55.06 56.99 1yaj s HIS 342 Cb -0.02 -2.91 -0.04 0.00 -0.13 0.00 0.00 32.58 29.49 1yaj s HIS 342 CO 0.03 -0.11 -0.10 0.95 -2.47 0.00 0.00 174.74 173.04 1yaj s THR 343 N 1.59 3.42 0.01 0.89 -4.23 -1.26 -5.03 115.64 111.04 1yaj s THR 343 Ca 0.37 -1.01 -0.06 0.00 -1.18 0.00 0.00 61.69 59.80 1yaj s THR 343 Cb -0.17 -2.52 -0.00 0.00 1.34 0.00 0.00 72.50 71.15 1yaj s THR 343 CO 0.15 0.28 0.12 0.68 -0.54 0.00 0.00 174.62 175.31 1yaj s VAL 344 N -1.06 0.10 0.04 2.29 -7.23 -1.26 -5.07 120.40 108.20 1yaj s VAL 344 Ca 0.18 -0.81 -0.36 0.00 -1.81 0.00 0.00 61.98 59.18 1yaj s VAL 344 Cb -0.11 -0.55 -0.16 0.00 0.56 0.00 0.00 36.38 36.13 1yaj s VAL 344 CO 0.09 -0.45 1.50 -2.65 -0.31 0.00 0.00 175.10 173.29 1yaj n PRO 345 N 1.27 1.46 -4.92 4.82 -0.02 -1.26 -4.73 135.00 131.62 1yaj n PRO 345 Ca -0.22 0.53 -0.26 0.00 -2.02 0.00 0.00 63.50 61.53 1yaj n PRO 345 Cb 0.56 -2.22 -0.16 0.00 -0.02 0.00 0.00 33.50 31.66 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 1.32 1.72 -0.35 6.00 6.04 -0.56 -1.41 117.35 130.10 1yaj s TYR 346 Ca 0.86 -0.35 0.02 0.00 0.04 0.00 0.00 57.07 57.63 1yaj s TYR 346 Cb -0.89 -1.11 0.11 0.00 -1.04 0.00 0.00 41.96 39.02 1yaj s TYR 346 CO 0.48 -0.05 0.11 1.41 -1.54 0.00 0.00 175.55 175.96 1yaj s MET 347 N -0.37 1.13 0.05 4.97 -2.45 0.30 -1.63 119.30 121.30 1yaj s MET 347 Ca 0.06 -1.57 -0.16 0.00 -1.25 0.00 0.00 55.69 52.77 1yaj s MET 347 Cb -0.08 -2.53 -0.06 0.00 1.25 0.00 0.00 34.83 33.41 1yaj s MET 347 CO -0.00 -1.00 0.49 0.08 1.05 0.00 0.00 175.02 175.63 1yaj s VAL 348 N 1.09 4.90 0.04 10.11 1.01 -0.11 -2.30 120.40 135.15 1yaj s VAL 348 Ca 0.12 0.95 -0.09 0.00 0.00 0.00 0.00 61.98 62.95 1yaj s VAL 348 Cb -0.19 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1yaj s VAL 348 CO -0.14 0.50 0.20 -0.83 0.00 0.00 0.00 175.10 174.82 1yaj s GLY 349 N -1.23 0.03 0.05 4.51 0.00 -0.95 -3.19 107.32 106.55 1yaj s GLY 349 Ca 0.28 -0.28 -0.00 0.00 0.00 0.00 0.00 44.72 44.72 1yaj s GLY 349 CO 0.17 -0.46 -0.04 -0.26 0.00 0.00 0.00 173.10 172.51 1yaj s ILE 350 N -2.59 0.29 0.10 0.90 -4.36 -0.51 -0.56 121.20 114.47 1yaj s ILE 350 Ca -0.05 -1.67 0.02 0.00 -0.26 0.00 0.00 60.65 58.69 1yaj s ILE 350 Cb -0.01 -1.33 -0.04 0.00 1.25 0.00 0.00 42.46 42.34 1yaj s ILE 350 CO -0.04 -0.89 0.20 0.20 0.24 0.00 0.00 174.94 174.66 1yaj s ASN 351 N -2.68 6.12 0.13 4.36 0.02 -1.26 -1.97 114.94 119.66 1yaj s ASN 351 Ca 0.04 0.15 -0.32 0.00 -1.02 0.00 0.00 52.86 51.71 1yaj s ASN 351 Cb 0.04 -1.81 -0.09 0.00 0.02 0.00 0.00 41.25 39.41 1yaj s ASN 351 CO -0.08 0.12 1.55 0.50 0.02 0.00 0.00 177.10 179.22 1yaj h LYS 352 N 2.76 -0.39 -3.18 -0.60 1.63 -1.22 -3.25 116.57 112.33 1yaj h LYS 352 Ca -0.47 0.03 -0.67 0.00 -0.85 0.00 0.00 60.65 58.69 1yaj h LYS 352 Cb 1.18 0.09 -0.38 0.00 -0.60 0.00 0.00 32.23 32.51 1yaj h LYS 352 CO 0.71 -0.26 -0.30 1.04 -3.45 0.00 0.00 179.45 177.19 1yaj n GLN 353 N -5.39 2.32 0.33 1.90 6.02 0.08 -4.95 117.38 117.70 1yaj n GLN 353 Ca -0.03 -4.50 -0.17 0.00 -0.01 0.00 0.00 57.00 52.29 1yaj n GLN 353 Cb 0.35 -2.36 -0.09 0.00 1.02 0.00 0.00 30.24 29.16 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 5.66 -0.76 -1.93 -1.09 4.39 -1.72 -2.84 114.58 116.29 1yaj h GLU 354 Ca 0.16 0.05 -0.50 0.00 0.34 0.00 0.00 59.36 59.41 1yaj h GLU 354 Cb 0.78 0.17 -0.18 0.00 -0.10 0.00 0.00 28.75 29.42 1yaj h GLU 354 CO 0.80 -0.50 0.44 0.34 -1.16 0.00 0.00 179.01 178.94 1yaj n PHE 355 N -5.42 1.70 0.81 4.33 -0.00 -1.26 -3.08 117.46 114.54 1yaj n PHE 355 Ca -0.13 -1.99 0.10 0.00 -0.00 0.00 0.00 57.45 55.44 1yaj n PHE 355 Cb 0.33 -1.33 -0.10 0.00 -0.00 0.00 0.00 39.48 38.38 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 0.70 -1.02 0.00 7.13 0.00 -1.07 -4.73 105.19 106.20 1yaj n GLY 356 Ca 0.48 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.65 0.00 -0.32 1.61 -0.00 -1.26 -4.95 117.44 110.87 1yaj n TRP 357 Ca 0.03 0.00 0.29 0.00 -0.00 0.00 0.00 57.50 57.82 1yaj n TRP 357 Cb 0.37 0.00 0.50 0.00 -0.00 0.00 0.00 31.31 32.18 1yaj n TRP 357 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.69 177.58 1yaj n LEU 358 N -0.66 0.20 -0.06 5.87 7.94 -1.26 -0.53 117.00 128.50 1yaj n LEU 358 Ca 0.00 1.14 -0.19 0.00 -1.11 0.00 0.00 56.01 55.85 1yaj n LEU 358 Cb 0.00 -0.56 -0.13 0.00 0.53 0.00 0.00 43.42 43.26 1yaj n LEU 358 CO 0.00 -1.26 -0.21 0.40 -1.11 0.00 0.00 177.39 175.21 1yaj h ILE 359 N 0.00 1.22 0.00 1.96 2.04 -1.93 -2.89 117.51 117.92 1yaj h ILE 359 Ca 0.67 -2.30 -0.01 0.00 1.00 0.00 0.00 64.86 64.23 1yaj h ILE 359 Cb 2.03 2.73 -0.00 0.00 -0.74 0.00 0.00 36.82 40.84 1yaj h ILE 359 CO -0.44 0.52 -0.03 -0.65 0.00 0.00 0.00 178.15 177.55 1yaj h PRO 360 N -0.79 0.00 0.02 2.37 0.11 -1.11 -1.84 132.00 130.77 1yaj h PRO 360 Ca -0.23 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.88 1yaj h PRO 360 Cb 1.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 1yaj h PRO 360 CO -0.06 0.03 -0.01 1.98 -0.21 0.00 0.00 178.00 179.72 1yaj h MET 361 N 0.00 -0.03 -1.00 1.05 -1.53 -0.96 0.20 114.93 112.66 1yaj h MET 361 Ca -0.00 0.00 0.23 0.00 -3.44 0.00 0.00 59.70 56.49 1yaj h MET 361 Cb 0.06 0.01 -0.09 0.00 -0.55 0.00 0.00 31.60 31.02 1yaj h MET 361 CO 0.00 -0.02 0.63 -0.07 0.14 0.00 0.00 176.91 177.60 1yaj h LEU 363 N -0.86 0.55 -0.37 3.39 3.38 -1.40 0.53 115.31 120.53 1yaj h LEU 363 Ca -0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1yaj h LEU 363 Cb 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1yaj h LEU 363 CO 0.01 0.15 -0.04 0.23 0.09 0.00 0.00 178.44 178.87 1yaj n MET 364 N -4.66 1.07 -3.14 1.13 2.81 -0.70 -4.78 117.12 108.84 1yaj n MET 364 Ca 0.24 -0.37 -0.05 0.00 -1.81 0.00 0.00 57.70 55.71 1yaj n MET 364 Cb 0.75 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.77 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 -0.64 -7.38 -4.81 7.83 7.64 0.18 -2.82 113.62 113.63 1yaj n SER 365 Ca 0.19 -0.12 -0.37 0.00 1.01 0.00 0.00 58.87 59.58 1yaj n SER 365 Cb 0.25 -4.75 -0.06 0.00 -1.01 0.00 0.00 64.21 58.63 1yaj n SER 365 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1yaj s TYR 366 N -2.92 3.72 -1.05 1.43 1.51 0.69 -4.77 117.35 115.97 1yaj s TYR 366 Ca 0.04 1.38 0.00 0.00 -1.01 0.00 0.00 57.07 57.48 1yaj s TYR 366 Cb -0.01 -2.60 0.00 0.00 -0.11 0.00 0.00 41.96 39.24 1yaj s TYR 366 CO 0.78 0.43 0.23 -2.30 -1.11 0.00 0.00 175.55 173.57 1yaj n PRO 367 N 1.08 0.44 -0.83 -1.71 -0.02 -1.26 -4.18 135.00 128.52 1yaj n PRO 367 Ca -0.05 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.27 1yaj n PRO 367 Cb 0.51 -1.21 0.07 0.00 -0.02 0.00 0.00 33.50 32.85 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 0.24 5.92 0.07 2.45 4.77 -1.26 -4.34 117.00 124.85 1yaj n LEU 368 Ca 0.00 -3.09 0.12 0.00 -0.03 0.00 0.00 56.01 53.01 1yaj n LEU 368 Cb 0.10 -0.87 0.46 0.00 -2.33 0.00 0.00 43.42 40.78 1yaj n LEU 368 CO 0.00 1.04 0.87 -1.54 -1.33 0.00 0.00 177.39 176.44 1yaj n SER 369 N -0.14 0.49 0.15 -1.43 3.41 -1.26 -2.81 113.62 112.03 1yaj n SER 369 Ca 0.35 0.57 0.01 0.00 -0.26 0.00 0.00 58.87 59.54 1yaj n SER 369 Cb 0.87 -0.70 0.23 0.00 -0.26 0.00 0.00 64.21 64.35 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 4.39 -1.96 -3.46 114.58 117.87 1yaj h GLU 370 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1yaj h GLU 370 Cb 0.52 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1yaj h GLU 370 CO 0.00 0.54 0.00 0.41 -1.16 0.00 0.00 179.01 178.80 1yaj n GLY 371 N 0.16 0.52 3.78 -3.84 0.00 -1.12 -5.00 105.19 99.69 1yaj n GLY 371 Ca -0.01 -0.56 -0.02 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.08 0.97 0.00 1.61 -2.07 -1.26 -4.64 119.66 113.19 1yaj s GLN 372 Ca 0.00 -0.57 0.00 0.00 -1.82 0.00 0.00 55.36 52.97 1yaj s GLN 372 Cb 0.00 0.30 0.00 0.00 -1.09 0.00 0.00 33.01 32.22 1yaj s GLN 372 CO 0.00 -0.45 0.00 1.47 -1.32 0.00 0.00 175.29 174.99 1yaj n LEU 373 N -0.58 0.00 0.00 2.60 -0.00 -0.22 -4.97 117.00 113.83 1yaj n LEU 373 Ca -0.05 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.86 1yaj n LEU 373 Cb 0.61 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 44.09 1yaj n LEU 373 CO 0.16 0.00 0.27 -0.90 -0.00 0.00 0.00 177.39 176.92 1yaj n ASP 374 N 0.00 0.28 -0.02 1.45 5.75 -1.26 -4.57 116.55 118.19 1yaj n ASP 374 Ca 0.00 -1.31 -0.13 0.00 -0.01 0.00 0.00 54.79 53.34 1yaj n ASP 374 Cb 0.00 -0.32 -0.09 0.00 -1.03 0.00 0.00 41.12 39.69 1yaj n ASP 374 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 1yaj h GLN 375 N 0.00 0.07 0.00 0.11 4.20 -1.98 -2.17 115.11 115.33 1yaj h GLN 375 Ca -0.15 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.53 1yaj h GLN 375 Cb 0.46 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1yaj h GLN 375 CO 0.13 0.47 0.05 0.87 -0.67 0.00 0.00 178.83 179.67 1yaj h LYS 376 N -0.32 0.00 0.00 1.46 1.57 -1.99 0.97 116.57 118.25 1yaj h LYS 376 Ca 0.01 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.52 1yaj h LYS 376 Cb 0.44 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.71 1yaj h LYS 376 CO 0.00 0.00 -1.46 2.41 -0.57 0.00 0.00 179.45 179.84 1yaj n THR 377 N -2.47 1.53 -0.19 -0.16 -1.04 -1.18 -3.85 114.28 106.92 1yaj n THR 377 Ca -0.02 -0.08 -0.02 0.00 -2.04 0.00 0.00 64.05 61.90 1yaj n THR 377 Cb 0.09 -2.02 0.09 0.00 -1.82 0.00 0.00 70.33 66.67 1yaj n THR 377 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1yaj h ALA 378 N -0.58 0.75 -0.34 2.41 0.00 -0.69 0.24 119.26 121.04 1yaj h ALA 378 Ca -0.40 0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.62 1yaj h ALA 378 Cb 1.35 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1yaj h ALA 378 CO -0.24 -0.13 0.23 0.52 0.00 0.00 0.00 179.25 179.62 1yaj h MET 379 N 0.47 0.19 0.00 0.00 2.07 -1.03 0.11 114.93 116.73 1yaj h MET 379 Ca 0.28 -0.01 -0.10 0.00 -2.07 0.00 0.00 59.70 57.79 1yaj h MET 379 Cb 0.27 -0.04 -0.02 0.00 -1.87 0.00 0.00 31.60 29.95 1yaj h MET 379 CO -0.24 0.12 -0.72 1.03 1.07 0.00 0.00 176.91 178.17 1yaj h SER 380 N 0.19 0.00 -0.02 1.22 0.87 -0.94 -3.28 113.55 111.59 1yaj h SER 380 Ca 0.15 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.64 1yaj h SER 380 Cb 0.36 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1yaj h SER 380 CO -0.02 0.43 -0.27 -0.07 -0.53 0.00 0.00 176.83 176.37 1yaj h LEU 381 N 0.00 0.26 -2.55 2.23 3.38 0.15 -3.05 115.31 115.73 1yaj h LEU 381 Ca -0.04 -0.73 0.01 0.00 0.09 0.00 0.00 57.88 57.20 1yaj h LEU 381 Cb 1.37 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 1yaj h LEU 381 CO 0.05 0.96 0.07 0.25 0.09 0.00 0.00 178.44 179.86 1yaj h LEU 382 N -0.41 0.00 0.21 1.67 5.85 -1.02 -0.68 115.31 120.93 1yaj h LEU 382 Ca -0.03 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1yaj h LEU 382 Cb 0.99 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.02 1yaj h LEU 382 CO 0.05 0.00 -0.10 -0.25 -0.34 0.00 0.00 178.44 177.80 1yaj h TRP 383 N 0.00 -0.26 -0.01 1.25 -0.00 -1.61 -3.21 115.95 112.11 1yaj h TRP 383 Ca 0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.91 1yaj h TRP 383 Cb 0.16 0.09 -0.00 0.00 -0.00 0.00 0.00 29.16 29.41 1yaj h TRP 383 CO 0.00 -0.00 0.03 0.87 -0.00 0.00 0.00 178.44 179.33 1yaj h LYS 384 N -1.02 0.00 -0.53 2.65 1.57 -1.35 0.21 116.57 118.10 1yaj h LYS 384 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1yaj h LYS 384 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1yaj h LYS 384 CO 0.05 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.36 1yaj n SER 385 N -3.33 1.46 -0.34 0.86 7.64 -0.30 -4.38 113.62 115.24 1yaj n SER 385 Ca -0.03 -2.10 0.21 0.00 1.01 0.00 0.00 58.87 57.96 1yaj n SER 385 Cb 0.10 -0.32 0.45 0.00 -1.01 0.00 0.00 64.21 63.43 1yaj n SER 385 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1yaj h TYR 386 N 0.92 0.88 0.00 1.43 3.20 -0.63 0.63 116.97 123.41 1yaj h TYR 386 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1yaj h TYR 386 Cb 0.52 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.54 1yaj h TYR 386 CO 0.18 0.01 0.00 -1.00 -1.64 0.00 0.00 178.16 175.71 1yaj h PRO 387 N 0.46 0.00 0.00 1.82 0.13 -1.76 -0.38 132.00 132.27 1yaj h PRO 387 Ca 0.66 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.79 1yaj h PRO 387 Cb 1.45 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.58 1yaj h PRO 387 CO -0.45 0.00 -0.73 1.28 -0.23 0.00 0.00 178.00 177.87 1yaj n LEU 388 N -2.44 1.54 0.11 1.56 4.77 0.17 -4.41 117.00 118.29 1yaj n LEU 388 Ca -0.00 0.26 -0.02 0.00 -0.03 0.00 0.00 56.01 56.21 1yaj n LEU 388 Cb 0.14 -0.65 0.07 0.00 -2.33 0.00 0.00 43.42 40.65 1yaj n LEU 388 CO 0.17 -0.36 0.38 -0.37 -1.33 0.00 0.00 177.39 175.88 1yaj h VAL 389 N -0.73 1.43 -6.26 4.08 -1.51 -1.52 -3.39 116.25 108.35 1yaj h VAL 389 Ca 0.00 -2.54 -0.46 0.00 -1.23 0.00 0.00 66.70 62.46 1yaj h VAL 389 Cb 0.73 2.41 -0.01 0.00 -2.13 0.00 0.00 31.29 32.28 1yaj h VAL 389 CO 0.00 0.71 -0.79 0.00 -1.23 0.00 0.00 177.57 176.25 1yaj s ILE 391 N -3.47 5.35 0.85 0.00 1.01 -1.26 -5.08 121.20 118.60 1yaj s ILE 391 Ca 0.40 0.41 -0.11 0.00 0.00 0.00 0.00 60.65 61.36 1yaj s ILE 391 Cb -0.20 -3.54 0.10 0.00 0.01 0.00 0.00 42.46 38.83 1yaj s ILE 391 CO 0.83 0.48 1.10 0.00 0.00 0.00 0.00 174.94 177.36 1yaj s ALA 392 N -0.13 1.80 -1.37 9.38 0.00 -1.26 -4.90 121.76 125.27 1yaj s ALA 392 Ca 0.15 0.24 0.19 0.00 0.00 0.00 0.00 51.96 52.54 1yaj s ALA 392 Cb -0.13 -3.29 0.94 0.00 0.00 0.00 0.00 23.12 20.64 1yaj s ALA 392 CO 0.04 -2.21 1.59 1.17 0.00 0.00 0.00 175.76 176.34 1yaj n LYS 393 N -3.82 0.23 0.00 0.00 3.00 -1.26 -2.14 118.16 114.17 1yaj n LYS 393 Ca 0.09 0.12 0.08 0.00 -0.00 0.00 0.00 58.31 58.60 1yaj n LYS 393 Cb 0.53 -1.50 0.05 0.00 0.00 0.00 0.00 35.03 34.12 1yaj n LYS 393 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1yaj n GLU 394 N -1.31 1.38 -0.01 1.64 0.28 -1.26 -4.31 120.64 117.05 1yaj n GLU 394 Ca 0.08 -1.34 0.07 0.00 -0.16 0.00 0.00 57.16 55.82 1yaj n GLU 394 Cb 0.16 -1.30 -0.11 0.00 1.43 0.00 0.00 31.44 31.61 1yaj n GLU 394 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1yaj n LEU 395 N 0.70 0.03 -0.27 -1.84 4.77 -0.91 -4.61 117.00 114.88 1yaj n LEU 395 Ca 0.09 -0.02 0.01 0.00 -0.03 0.00 0.00 56.01 56.06 1yaj n LEU 395 Cb 0.39 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.57 1yaj n LEU 395 CO 0.12 0.01 0.70 0.40 -1.33 0.00 0.00 177.39 177.29 1yaj h ILE 396 N 0.00 0.21 -0.19 -0.08 1.08 -1.71 -0.39 117.51 116.44 1yaj h ILE 396 Ca 0.00 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.48 1yaj h ILE 396 Cb 0.66 0.21 -0.01 0.00 -3.07 0.00 0.00 36.82 34.62 1yaj h ILE 396 CO 0.00 0.00 0.11 -0.65 -0.69 0.00 0.00 178.15 176.92 1yaj h PRO 397 N -0.01 0.23 -0.91 2.37 0.11 -1.87 0.26 132.00 132.17 1yaj h PRO 397 Ca 0.36 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.46 1yaj h PRO 397 Cb 0.57 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.58 1yaj h PRO 397 CO -0.79 0.15 0.59 1.49 -0.21 0.00 0.00 178.00 179.23 1yaj h GLU 398 N 0.23 1.20 0.03 1.05 4.81 -1.54 0.29 114.58 120.65 1yaj h GLU 398 Ca 0.07 -0.08 -0.21 0.00 -0.13 0.00 0.00 59.36 59.01 1yaj h GLU 398 Cb -0.01 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.08 1yaj h GLU 398 CO -0.03 0.80 -0.98 0.00 -0.73 0.00 0.00 179.01 178.08 1yaj h ALA 399 N 1.33 0.40 -0.18 2.92 0.00 -0.88 -3.02 119.26 119.83 1yaj h ALA 399 Ca 0.33 -0.82 -0.22 0.00 0.00 0.00 0.00 54.91 54.21 1yaj h ALA 399 Cb -0.13 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.58 1yaj h ALA 399 CO -0.07 1.05 -0.74 1.15 0.00 0.00 0.00 179.25 180.63 1yaj h THR 400 N 0.05 1.27 0.00 0.00 2.02 -0.04 -2.99 112.91 113.22 1yaj h THR 400 Ca -0.05 -1.93 0.00 0.00 0.77 0.00 0.00 66.41 65.20 1yaj h THR 400 Cb 1.67 1.92 0.00 0.00 -1.74 0.00 0.00 68.15 70.00 1yaj h THR 400 CO 0.14 0.62 0.00 1.21 0.37 0.00 0.00 175.52 177.86 1yaj n GLU 401 N -3.95 0.09 0.01 6.66 4.07 0.98 -1.38 120.64 127.12 1yaj n GLU 401 Ca -0.07 0.27 -0.01 0.00 -0.06 0.00 0.00 57.16 57.29 1yaj n GLU 401 Cb 0.73 -1.65 -0.10 0.00 -0.06 0.00 0.00 31.44 30.35 1yaj n GLU 401 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1yaj n LYS 402 N -1.82 0.63 -0.07 5.31 3.00 -1.14 -3.16 118.16 120.91 1yaj n LYS 402 Ca 0.04 0.16 -0.08 0.00 -0.00 0.00 0.00 58.31 58.43 1yaj n LYS 402 Cb 0.24 -1.74 -0.12 0.00 0.00 0.00 0.00 35.03 33.41 1yaj n LYS 402 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1yaj n TYR 403 N -2.82 0.00 0.09 5.64 4.02 -1.16 -4.68 117.16 118.25 1yaj n TYR 403 Ca -0.13 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.82 1yaj n TYR 403 Cb 0.87 -0.74 -0.09 0.00 -0.02 0.00 0.00 39.34 39.36 1yaj n TYR 403 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1yaj n LEU 404 N -2.56 0.09 0.00 7.72 4.77 -0.48 -4.49 117.00 122.05 1yaj n LEU 404 Ca -0.25 -0.08 0.02 0.00 -0.03 0.00 0.00 56.01 55.68 1yaj n LEU 404 Cb 0.98 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 42.22 1yaj n LEU 404 CO 0.31 0.02 0.35 0.61 -1.33 0.00 0.00 177.39 177.36 1yaj n GLY 405 N 1.72 -0.19 0.05 -0.72 0.00 -1.19 -3.55 105.19 101.31 1yaj n GLY 405 Ca -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 46.02 45.96 1yaj n GLY 405 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1yaj h GLY 406 N 0.96 -0.10 -1.31 -0.02 0.00 -1.83 -3.48 103.07 97.29 1yaj h GLY 406 Ca 0.00 0.04 -0.53 0.00 0.00 0.00 0.00 47.33 46.83 1yaj h GLY 406 CO 0.00 -0.04 -0.16 -1.30 0.00 0.00 0.00 176.54 175.04 1yaj n THR 407 N -2.74 0.00 0.11 4.70 -2.24 -1.23 -5.05 114.28 107.83 1yaj n THR 407 Ca -0.01 -2.08 0.01 0.00 -2.27 0.00 0.00 64.05 59.70 1yaj n THR 407 Cb 0.04 -0.29 -0.01 0.00 -2.10 0.00 0.00 70.33 67.97 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 -2.10 0.33 -4.55 3.42 8.00 -1.26 -4.96 116.55 115.43 1yaj n ASP 408 Ca 0.08 -0.53 -0.32 0.00 0.71 0.00 0.00 54.79 54.73 1yaj n ASP 408 Cb 0.62 1.01 -0.04 0.00 -0.02 0.00 0.00 41.12 42.69 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 -1.29 4.62 0.17 -2.24 -1.08 -1.26 -4.78 116.67 110.81 1yaj s ASP 409 Ca 0.01 0.55 0.06 0.00 -0.52 0.00 0.00 52.55 52.64 1yaj s ASP 409 Cb 0.02 -2.52 0.31 0.00 -1.46 0.00 0.00 42.92 39.27 1yaj s ASP 409 CO 0.10 -2.91 0.99 0.35 0.52 0.00 0.00 175.17 174.22 1yaj n THR 410 N 7.91 0.73 -0.00 1.71 -2.24 -1.26 0.07 114.28 121.21 1yaj n THR 410 Ca 0.34 0.63 -0.14 0.00 -2.27 0.00 0.00 64.05 62.61 1yaj n THR 410 Cb 0.51 -1.63 -0.14 0.00 -2.10 0.00 0.00 70.33 66.98 1yaj n THR 410 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1yaj h VAL 411 N 0.00 0.81 0.00 2.28 2.07 -1.85 -0.58 116.25 118.97 1yaj h VAL 411 Ca 0.00 -2.58 0.00 0.00 0.82 0.00 0.00 66.70 64.94 1yaj h VAL 411 Cb 0.64 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 1yaj h VAL 411 CO 0.00 0.69 -0.31 0.29 0.02 0.00 0.00 177.57 178.26 1yaj n LYS 412 N -3.27 0.13 0.05 1.57 5.02 0.11 -2.98 118.16 118.80 1yaj n LYS 412 Ca -0.22 0.06 0.13 0.00 -2.02 0.00 0.00 58.31 56.26 1yaj n LYS 412 Cb 1.05 -1.61 0.51 0.00 -0.02 0.00 0.00 35.03 34.96 1yaj n LYS 412 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1yaj n LYS 413 N -1.81 0.13 -0.07 1.97 5.02 -0.67 -2.99 118.16 119.74 1yaj n LYS 413 Ca 0.05 0.11 -0.18 0.00 -2.02 0.00 0.00 58.31 56.28 1yaj n LYS 413 Cb 0.38 -1.65 -0.13 0.00 -0.02 0.00 0.00 35.03 33.61 1yaj n LYS 413 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1yaj h LYS 414 N 0.00 0.04 0.00 1.97 3.64 -1.65 -2.49 116.57 118.07 1yaj h LYS 414 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1yaj h LYS 414 Cb 0.61 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1yaj h LYS 414 CO 0.00 1.03 0.00 -0.44 -2.27 0.00 0.00 179.45 177.77 1yaj h ASP 415 N -0.91 0.00 0.37 4.20 3.32 -1.61 0.24 116.42 122.03 1yaj h ASP 415 Ca -0.16 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.58 1yaj h ASP 415 Cb 1.20 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.72 1yaj h ASP 415 CO -0.06 0.00 -1.78 -0.07 -1.72 0.00 0.00 179.24 175.61 1yaj h LEU 416 N 0.00 0.17 -0.67 1.55 3.38 -1.60 -2.37 115.31 115.77 1yaj h LEU 416 Ca 0.00 -0.37 -0.10 0.00 0.09 0.00 0.00 57.88 57.50 1yaj h LEU 416 Cb 0.05 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1yaj h LEU 416 CO 0.00 1.33 -0.09 0.15 0.09 0.00 0.00 178.44 179.92 1yaj h PHE 417 N 0.03 1.05 0.01 1.13 3.57 -0.58 0.38 116.94 122.53 1yaj h PHE 417 Ca -0.32 -0.20 -0.00 0.00 3.53 0.00 0.00 57.97 60.97 1yaj h PHE 417 Cb 2.02 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 40.49 1yaj h PHE 417 CO 0.03 0.98 -0.01 -0.07 -2.23 0.00 0.00 178.31 177.01 1yaj h LEU 418 N 0.85 -0.01 -2.31 0.59 3.38 -0.71 -1.80 115.31 115.30 1yaj h LEU 418 Ca 0.14 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1yaj h LEU 418 Cb 0.62 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1yaj h LEU 418 CO 0.04 0.29 0.01 0.44 0.09 0.00 0.00 178.44 179.32 1yaj h ASP 419 N -0.32 0.00 0.58 -0.43 3.32 -1.24 -0.54 116.42 117.79 1yaj h ASP 419 Ca -0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1yaj h ASP 419 Cb 0.31 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.87 1yaj h ASP 419 CO 0.00 0.00 -0.28 0.25 -1.72 0.00 0.00 179.24 177.49 1yaj h LEU 420 N 0.00 -0.66 -1.82 1.55 7.12 0.28 -1.64 115.31 120.14 1yaj h LEU 420 Ca 0.01 0.02 0.13 0.00 0.13 0.00 0.00 57.88 58.17 1yaj h LEU 420 Cb 0.03 0.17 -0.03 0.00 -0.53 0.00 0.00 40.66 40.30 1yaj h LEU 420 CO -0.00 -0.37 0.40 0.40 -0.13 0.00 0.00 178.44 178.74 1yaj h ILE 421 N -0.98 0.79 -0.18 4.05 2.04 -0.63 -0.22 117.51 122.39 1yaj h ILE 421 Ca -0.08 -0.07 -0.12 0.00 1.00 0.00 0.00 64.86 65.60 1yaj h ILE 421 Cb 0.60 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1yaj h ILE 421 CO 0.13 0.04 -0.40 0.00 0.00 0.00 0.00 178.15 177.92 1yaj h ALA 422 N 1.71 0.98 -0.01 1.87 0.00 -1.00 -2.86 119.26 119.96 1yaj h ALA 422 Ca 0.28 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 1yaj h ALA 422 Cb 0.83 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1yaj h ALA 422 CO -0.05 0.62 -0.64 -0.44 0.00 0.00 0.00 179.25 178.74 1yaj h ASP 423 N 0.35 0.04 1.60 0.00 3.32 -0.03 0.14 116.42 121.83 1yaj h ASP 423 Ca 0.03 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1yaj h ASP 423 Cb 0.85 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.39 1yaj h ASP 423 CO 0.07 0.67 -0.41 0.58 -1.72 0.00 0.00 179.24 178.43 1yaj h VAL 424 N 0.03 0.04 0.00 -1.35 2.07 -1.47 0.53 116.25 116.10 1yaj h VAL 424 Ca -0.01 -1.06 -0.38 0.00 0.82 0.00 0.00 66.70 66.07 1yaj h VAL 424 Cb 1.13 1.83 -0.07 0.00 -1.52 0.00 0.00 31.29 32.67 1yaj h VAL 424 CO 0.09 0.02 -2.45 0.23 0.02 0.00 0.00 177.57 175.47 1yaj n MET 425 N -2.95 0.65 0.00 1.57 2.81 -1.08 -4.65 117.12 113.47 1yaj n MET 425 Ca 0.02 0.13 0.00 0.00 -1.81 0.00 0.00 57.70 56.04 1yaj n MET 425 Cb 0.55 -1.51 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 1yaj n MET 425 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1yaj n PHE 426 N -3.20 0.00 0.00 2.03 3.01 -0.40 -4.61 117.46 114.30 1yaj n PHE 426 Ca -0.44 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.02 1yaj n PHE 426 Cb 1.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.48 1yaj n PHE 426 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yaj n GLY 427 N 3.37 -1.30 0.41 1.37 0.00 -0.10 -2.16 105.19 106.79 1yaj n GLY 427 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1yaj n GLY 427 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1yaj h VAL 428 N 0.00 0.10 -0.62 1.61 2.07 -0.22 -2.86 116.25 116.32 1yaj h VAL 428 Ca 0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 1yaj h VAL 428 Cb 0.00 0.10 -0.12 0.00 -1.52 0.00 0.00 31.29 29.75 1yaj h VAL 428 CO 0.00 0.00 -0.34 -0.65 0.02 0.00 0.00 177.57 176.60 1yaj h PRO 429 N -0.38 -0.15 -0.89 1.57 0.11 -1.73 0.20 132.00 130.74 1yaj h PRO 429 Ca 0.11 0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.33 1yaj h PRO 429 Cb 0.60 0.03 -0.08 0.00 0.11 0.00 0.00 31.00 31.67 1yaj h PRO 429 CO -0.54 -0.10 0.53 0.77 -0.21 0.00 0.00 178.00 178.45 1yaj h SER 430 N -0.15 0.77 0.16 -2.05 0.02 -1.29 -0.78 113.55 110.22 1yaj h SER 430 Ca 0.24 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 1yaj h SER 430 Cb 0.55 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1yaj h SER 430 CO -0.70 0.44 -0.07 0.58 -1.14 0.00 0.00 176.83 175.93 1yaj h VAL 431 N 0.88 0.98 -1.05 2.27 2.07 -0.52 -1.96 116.25 118.92 1yaj h VAL 431 Ca 0.43 -0.83 0.27 0.00 0.82 0.00 0.00 66.70 67.39 1yaj h VAL 431 Cb 0.38 1.48 -0.09 0.00 -1.52 0.00 0.00 31.29 31.53 1yaj h VAL 431 CO -0.25 0.19 0.68 0.40 0.02 0.00 0.00 177.57 178.61 1yaj h ILE 432 N -0.63 0.50 -0.47 4.57 2.04 -0.38 0.62 117.51 123.77 1yaj h ILE 432 Ca -0.02 -0.13 -0.07 0.00 1.00 0.00 0.00 64.86 65.64 1yaj h ILE 432 Cb 0.47 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 1yaj h ILE 432 CO 0.04 0.07 0.01 0.58 0.00 0.00 0.00 178.15 178.84 1yaj h VAL 433 N 0.37 1.26 -0.31 1.67 2.07 -0.89 -1.53 116.25 118.89 1yaj h VAL 433 Ca 0.60 -1.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 1yaj h VAL 433 Cb 1.57 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 1yaj h VAL 433 CO -0.30 0.36 0.06 0.00 0.02 0.00 0.00 177.57 177.71 1yaj h ALA 434 N 0.92 0.41 -0.34 1.67 0.00 0.90 -1.51 119.26 121.32 1yaj h ALA 434 Ca 0.13 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1yaj h ALA 434 Cb 0.49 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1yaj h ALA 434 CO 0.02 0.09 0.22 0.00 0.00 0.00 0.00 179.25 179.59 1yaj h ARG 435 N 0.33 0.44 0.00 0.00 2.47 -0.79 -0.08 114.38 116.75 1yaj h ARG 435 Ca 0.09 -0.03 -0.19 0.00 -1.26 0.00 0.00 59.98 58.60 1yaj h ARG 435 Cb 0.33 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.52 1yaj h ARG 435 CO 0.00 0.29 -1.01 -0.91 0.56 0.00 0.00 179.97 178.91 1yaj h ASN 436 N 0.45 0.00 -0.01 7.04 -0.26 -1.03 -1.99 115.58 119.77 1yaj h ASN 436 Ca 0.13 0.00 -0.21 0.00 -0.56 0.00 0.00 56.30 55.66 1yaj h ASN 436 Cb -0.04 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 37.24 1yaj h ASN 436 CO -0.03 0.84 -0.80 -0.74 -1.06 0.00 0.00 177.43 175.65 1yaj h HIS 437 N 0.00 0.83 0.73 1.19 2.76 -0.58 -2.34 115.15 117.74 1yaj h HIS 437 Ca -0.06 -0.44 -0.04 0.00 -2.20 0.00 0.00 60.37 57.64 1yaj h HIS 437 Cb 1.69 -0.10 0.01 0.00 1.55 0.00 0.00 27.41 30.56 1yaj h HIS 437 CO 0.00 1.27 -0.35 -0.09 -1.30 0.00 0.00 177.93 177.46 1yaj h ARG 438 N 0.16 -0.94 0.00 5.26 2.43 -1.13 -2.68 114.38 117.48 1yaj h ARG 438 Ca -0.10 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1yaj h ARG 438 Cb 1.47 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 31.24 1yaj h ARG 438 CO 0.16 -0.61 0.10 -0.25 -1.51 0.00 0.00 179.97 177.86 1yaj n ASP 439 N -5.48 0.33 -0.77 -3.80 9.92 -0.75 0.91 116.55 116.91 1yaj n ASP 439 Ca -0.14 0.61 0.12 0.00 -0.53 0.00 0.00 54.79 54.85 1yaj n ASP 439 Cb 0.40 -0.63 0.31 0.00 -0.64 0.00 0.00 41.12 40.57 1yaj n ASP 439 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1yaj n ALA 440 N -1.62 2.50 -1.61 2.24 0.00 -0.88 -4.97 120.51 116.17 1yaj n ALA 440 Ca -0.01 -0.66 -0.01 0.00 0.00 0.00 0.00 53.44 52.77 1yaj n ALA 440 Cb 0.12 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 1.28 -0.69 3.64 0.00 0.00 0.26 -4.94 105.19 104.73 1yaj n GLY 441 Ca 0.17 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 46.10 1yaj n GLY 441 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj s ALA 442 N -1.36 -2.05 -0.32 4.61 0.00 -1.18 -4.94 121.76 116.52 1yaj s ALA 442 Ca 0.02 1.79 -0.34 0.00 0.00 0.00 0.00 51.96 53.42 1yaj s ALA 442 Cb -0.00 -1.49 -0.11 0.00 0.00 0.00 0.00 23.12 21.52 1yaj s ALA 442 CO 0.06 -0.20 2.17 -2.30 0.00 0.00 0.00 175.76 175.49 1yaj n PRO 443 N 1.83 1.24 -4.81 0.00 -0.02 -1.26 -4.14 135.00 127.84 1yaj n PRO 443 Ca -0.11 0.35 -0.30 0.00 -2.02 0.00 0.00 63.50 61.41 1yaj n PRO 443 Cb 0.56 -2.57 -0.14 0.00 -0.02 0.00 0.00 33.50 31.33 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 7.26 2.23 0.02 3.45 2.01 -1.26 -1.50 115.64 127.85 1yaj s THR 444 Ca 1.08 -1.43 -0.00 0.00 0.31 0.00 0.00 61.69 61.65 1yaj s THR 444 Cb -0.78 -1.89 -0.02 0.00 0.01 0.00 0.00 72.50 69.82 1yaj s THR 444 CO 0.48 0.32 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.39 1yaj s TYR 445 N -0.86 0.21 0.15 4.92 2.02 -0.64 -0.14 117.35 123.02 1yaj s TYR 445 Ca 0.12 -0.44 0.01 0.00 -0.37 0.00 0.00 57.07 56.40 1yaj s TYR 445 Cb -0.10 -0.16 -0.04 0.00 -0.40 0.00 0.00 41.96 41.26 1yaj s TYR 445 CO 0.03 -0.16 -0.00 -1.64 -1.57 0.00 0.00 175.55 172.21 1yaj s MET 446 N -1.22 1.03 -0.01 -0.62 -1.94 -1.25 -0.93 119.30 114.36 1yaj s MET 446 Ca -0.13 -1.48 -0.28 0.00 -1.71 0.00 0.00 55.69 52.08 1yaj s MET 446 Cb -0.08 -0.17 0.09 0.00 2.01 0.00 0.00 34.83 36.67 1yaj s MET 446 CO -0.01 -0.13 0.77 1.52 -0.01 0.00 0.00 175.02 177.16 1yaj s TYR 447 N -3.72 -0.50 -0.23 -0.03 1.13 -1.19 -2.04 117.35 110.77 1yaj s TYR 447 Ca 0.22 0.62 -0.01 0.00 -1.41 0.00 0.00 57.07 56.49 1yaj s TYR 447 Cb 0.06 0.48 0.07 0.00 -1.10 0.00 0.00 41.96 41.47 1yaj s TYR 447 CO 0.02 -0.60 0.00 -2.00 -2.51 0.00 0.00 175.55 170.46 1yaj s GLU 448 N -2.25 1.13 0.13 -3.49 2.12 -0.84 -1.43 118.70 114.08 1yaj s GLU 448 Ca -0.03 -0.83 -0.30 0.00 0.36 0.00 0.00 54.97 54.17 1yaj s GLU 448 Cb -0.01 -2.35 -0.07 0.00 0.26 0.00 0.00 34.13 31.96 1yaj s GLU 448 CO -0.02 -0.68 1.18 0.12 -0.54 0.00 0.00 175.26 175.32 1yaj s PHE 449 N 1.58 3.46 -0.42 5.30 5.36 -0.83 -1.89 117.98 130.53 1yaj s PHE 449 Ca -0.01 1.39 0.07 0.00 -0.96 0.00 0.00 56.93 57.42 1yaj s PHE 449 Cb -0.18 -3.40 0.23 0.00 -0.34 0.00 0.00 43.02 39.33 1yaj s PHE 449 CO -0.10 -1.15 0.49 0.94 -1.46 0.00 0.00 175.22 173.94 1yaj n GLN 450 N 3.12 0.73 -3.76 10.12 7.27 0.26 -1.54 117.38 133.58 1yaj n GLN 450 Ca 0.06 -3.33 -0.13 0.00 0.07 0.00 0.00 57.00 53.67 1yaj n GLN 450 Cb 0.46 -1.41 -0.09 0.00 2.41 0.00 0.00 30.24 31.61 1yaj n GLN 450 CO 0.00 0.00 0.00 -0.47 0.07 0.00 0.00 177.06 176.66 1yaj s TYR 451 N -0.98 -0.22 -0.37 3.69 5.04 -1.26 -4.15 117.35 119.10 1yaj s TYR 451 Ca 0.35 0.38 -0.01 0.00 -2.44 0.00 0.00 57.07 55.34 1yaj s TYR 451 Cb 0.13 0.11 0.09 0.00 0.35 0.00 0.00 41.96 42.64 1yaj s TYR 451 CO -0.13 -0.36 0.12 0.50 -1.34 0.00 0.00 175.55 174.34 1yaj s ARG 452 N -1.10 1.97 0.71 4.97 3.52 -1.26 -1.94 118.95 125.82 1yaj s ARG 452 Ca -0.12 -1.71 -0.16 0.00 -0.13 0.00 0.00 55.73 53.61 1yaj s ARG 452 Cb -0.05 -3.40 0.03 0.00 -1.56 0.00 0.00 34.95 29.97 1yaj s ARG 452 CO 0.04 -0.94 1.26 -1.25 -0.81 0.00 0.00 175.30 173.60 1yaj s PRO 453 N 1.11 2.17 0.00 5.12 0.04 -1.26 -4.90 135.00 137.28 1yaj s PRO 453 Ca 0.06 1.95 0.14 0.00 0.04 0.00 0.00 61.00 63.18 1yaj s PRO 453 Cb -0.21 -1.82 0.66 0.00 0.04 0.00 0.00 34.50 33.17 1yaj s PRO 453 CO -0.04 -1.85 1.45 -1.13 0.04 0.00 0.00 177.00 175.46 1yaj n SER 454 N -2.47 0.65 -1.08 6.66 3.41 -1.26 -3.10 113.62 116.43 1yaj n SER 454 Ca 0.15 -1.70 0.12 0.00 -0.26 0.00 0.00 58.87 57.18 1yaj n SER 454 Cb 0.49 -0.06 0.17 0.00 -0.26 0.00 0.00 64.21 64.55 1yaj n SER 454 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1yaj n PHE 455 N -0.28 0.29 -1.18 7.33 3.01 -1.26 -4.99 117.46 120.38 1yaj n PHE 455 Ca 0.11 -0.14 -0.32 0.00 1.01 0.00 0.00 57.45 58.11 1yaj n PHE 455 Cb 0.14 -0.00 0.11 0.00 -0.01 0.00 0.00 39.48 39.72 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 -1.71 4.07 0.59 4.37 0.01 -1.18 -4.97 113.70 114.89 1yaj s SER 456 Ca 0.34 2.03 -0.20 0.00 1.31 0.00 0.00 55.95 59.43 1yaj s SER 456 Cb 0.22 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.87 1yaj s SER 456 CO 0.31 -2.33 1.32 -0.55 0.41 0.00 0.00 173.24 172.40 1yaj s SER 457 N -2.88 4.96 0.00 2.44 0.15 -1.26 -4.85 113.70 112.26 1yaj s SER 457 Ca 0.65 2.68 0.11 0.00 0.70 0.00 0.00 55.95 60.10 1yaj s SER 457 Cb -0.21 -2.63 0.69 0.00 -1.71 0.00 0.00 66.02 62.16 1yaj s SER 457 CO 0.53 -1.77 1.18 0.47 1.20 0.00 0.00 173.24 174.85 1yaj n ASP 458 N -1.45 0.00 -0.42 5.45 8.00 -1.26 -2.23 116.55 124.64 1yaj n ASP 458 Ca 0.13 -0.91 0.07 0.00 0.71 0.00 0.00 54.79 54.79 1yaj n ASP 458 Cb 0.47 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.59 1yaj n ASP 458 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1yaj n MET 459 N -0.78 1.42 -3.41 -1.24 2.81 -1.26 -4.94 117.12 109.72 1yaj n MET 459 Ca 0.09 -1.00 -0.39 0.00 -1.81 0.00 0.00 57.70 54.59 1yaj n MET 459 Cb 0.04 -1.22 -0.09 0.00 -0.71 0.00 0.00 33.22 31.24 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 -1.40 4.04 0.51 0.03 2.20 -0.94 -5.05 119.74 119.12 1yaj s LYS 460 Ca 0.13 0.04 -0.21 0.00 -0.36 0.00 0.00 55.97 55.57 1yaj s LYS 460 Cb 0.11 -3.64 -0.09 0.00 -1.51 0.00 0.00 37.83 32.71 1yaj s LYS 460 CO 0.25 -0.23 0.84 -0.35 -0.36 0.00 0.00 175.35 175.50 1yaj n PRO 461 N 5.18 0.95 0.00 4.03 -0.04 -1.26 -4.86 135.00 138.99 1yaj n PRO 461 Ca -0.09 0.35 0.12 0.00 -0.04 0.00 0.00 63.50 63.84 1yaj n PRO 461 Cb 0.51 -1.95 0.54 0.00 -0.04 0.00 0.00 33.50 32.55 1yaj n PRO 461 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1yaj n LYS 462 N -0.20 0.04 0.16 0.54 4.76 -1.26 -2.89 118.16 119.30 1yaj n LYS 462 Ca 0.11 0.07 0.06 0.00 -2.87 0.00 0.00 58.31 55.69 1yaj n LYS 462 Cb 0.44 -1.50 0.07 0.00 -1.84 0.00 0.00 35.03 32.19 1yaj n LYS 462 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 1yaj h THR 463 N 0.00 0.45 -3.43 -0.18 1.35 -2.03 -3.43 112.91 105.64 1yaj h THR 463 Ca 0.00 -1.66 -0.58 0.00 -0.55 0.00 0.00 66.41 63.63 1yaj h THR 463 Cb 0.40 2.17 -0.09 0.00 -1.73 0.00 0.00 68.15 68.90 1yaj h THR 463 CO 0.00 0.26 0.80 -0.69 -0.25 0.00 0.00 175.52 175.63 1yaj s VAL 464 N -3.08 4.24 -0.07 6.82 1.01 -1.14 -5.01 120.40 123.16 1yaj s VAL 464 Ca 0.04 0.83 -0.00 0.00 0.00 0.00 0.00 61.98 62.84 1yaj s VAL 464 Cb 0.07 -4.60 -0.03 0.00 0.00 0.00 0.00 36.38 31.82 1yaj s VAL 464 CO 0.73 -1.11 -0.04 -0.63 0.00 0.00 0.00 175.10 174.05 1yaj s ILE 465 N 4.37 3.97 -1.01 2.22 1.01 -1.26 -4.67 121.20 125.83 1yaj s ILE 465 Ca 0.40 -0.39 -0.07 0.00 0.00 0.00 0.00 60.65 60.60 1yaj s ILE 465 Cb -0.09 -2.65 -0.05 0.00 0.01 0.00 0.00 42.46 39.68 1yaj s ILE 465 CO 0.26 0.60 0.87 0.61 0.00 0.00 0.00 174.94 177.28 1yaj n GLY 466 N 2.16 -1.16 3.94 6.18 0.00 -0.82 -3.38 105.19 112.11 1yaj n GLY 466 Ca -0.18 0.56 -0.25 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.33 4.90 -0.16 1.61 2.15 -1.25 -0.74 116.67 119.84 1yaj s ASP 467 Ca 0.39 0.33 -0.38 0.00 0.43 0.00 0.00 52.55 53.32 1yaj s ASP 467 Cb -0.06 -1.02 -0.14 0.00 -0.30 0.00 0.00 42.92 41.39 1yaj s ASP 467 CO 0.76 -1.51 1.74 1.57 -0.17 0.00 0.00 175.17 177.56 1yaj n HIS 468 N -2.79 2.10 -0.10 -5.34 -0.00 -1.18 -0.97 115.22 106.94 1yaj n HIS 468 Ca 0.08 0.36 0.00 0.00 -0.00 0.00 0.00 57.72 58.16 1yaj n HIS 468 Cb 0.60 -2.52 0.00 0.00 -0.00 0.00 0.00 29.99 28.08 1yaj n HIS 468 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1yaj n GLY 469 N 4.07 1.68 0.34 1.57 0.00 -1.26 -4.85 105.19 106.74 1yaj n GLY 469 Ca 0.24 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.49 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 1.43 1.61 3.32 -1.41 -1.77 116.42 119.59 1yaj h ASP 470 Ca 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1yaj h ASP 470 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1yaj h ASP 470 CO 0.00 0.00 -0.37 1.05 -1.72 0.00 0.00 179.24 178.20 1yaj h GLU 471 N 0.00 0.00 -0.36 3.56 9.09 -1.91 -3.31 114.58 121.65 1yaj h GLU 471 Ca 0.00 0.00 0.06 0.00 0.05 0.00 0.00 59.36 59.47 1yaj h GLU 471 Cb 0.00 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.05 1yaj h GLU 471 CO 0.00 0.37 0.02 -0.07 0.05 0.00 0.00 179.01 179.39 1yaj h LEU 472 N 0.00 -0.09 -2.22 3.06 3.38 -1.72 0.18 115.31 117.88 1yaj h LEU 472 Ca -0.00 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.07 1yaj h LEU 472 Cb 1.19 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 1yaj h LEU 472 CO 0.05 -0.01 0.26 -0.26 0.09 0.00 0.00 178.44 178.57 1yaj h PHE 473 N 0.13 0.00 0.00 1.13 -1.00 -1.73 0.80 116.94 116.27 1yaj h PHE 473 Ca 0.18 0.00 -0.23 0.00 2.81 0.00 0.00 57.97 60.73 1yaj h PHE 473 Cb 0.23 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.76 1yaj h PHE 473 CO -0.23 0.00 -1.30 0.45 -1.61 0.00 0.00 178.31 175.62 1yaj n SER 474 N -3.25 1.86 -0.06 2.17 2.88 0.19 -0.80 113.62 116.61 1yaj n SER 474 Ca 0.00 0.43 0.05 0.00 -1.33 0.00 0.00 58.87 58.02 1yaj n SER 474 Cb 0.35 -0.95 0.40 0.00 -0.75 0.00 0.00 64.21 63.27 1yaj n SER 474 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1yaj h VAL 475 N -1.00 1.08 -0.72 2.46 2.07 0.06 -1.90 116.25 118.29 1yaj h VAL 475 Ca -0.35 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1yaj h VAL 475 Cb 1.26 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1yaj h VAL 475 CO -0.21 0.11 0.00 0.49 0.02 0.00 0.00 177.57 177.98 1yaj n PHE 476 N -4.47 0.97 -3.55 1.57 3.01 0.20 -4.79 117.46 110.39 1yaj n PHE 476 Ca 0.05 -0.49 -0.20 0.00 1.01 0.00 0.00 57.45 57.83 1yaj n PHE 476 Cb 0.11 -0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.64 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 1.66 -0.44 0.32 1.37 0.00 -0.72 -4.31 105.19 103.07 1yaj n GLY 477 Ca 0.24 0.18 0.00 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 0.78 1.17 0.00 4.61 0.00 -1.22 -2.50 119.26 122.10 1yaj h ALA 478 Ca -0.61 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1yaj h ALA 478 Cb 1.35 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1yaj h ALA 478 CO 0.52 0.29 0.00 -2.30 0.00 0.00 0.00 179.25 177.76 1yaj n PRO 479 N -4.61 0.00 0.00 0.00 -0.02 -1.26 -0.97 135.00 128.14 1yaj n PRO 479 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1yaj n PRO 479 Cb 0.16 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 1yaj n PRO 479 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1yaj n PHE 480 N -0.64 0.00 -0.01 6.00 3.01 -0.94 -4.75 117.46 120.14 1yaj n PHE 480 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.46 1yaj n PHE 480 Cb 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.45 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 -0.25 0.00 -4.75 4.37 4.77 -0.14 -4.97 117.00 116.02 1yaj n LEU 481 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.75 1yaj n LEU 481 Cb 0.02 0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 1yaj n LEU 481 CO 0.00 0.04 -0.17 -0.54 -1.33 0.00 0.00 177.39 175.40 1yaj s LYS 482 N -2.11 2.38 0.15 3.23 1.02 -0.97 -4.02 119.74 119.42 1yaj s LYS 482 Ca -0.01 -1.58 0.05 0.00 0.02 0.00 0.00 55.97 54.44 1yaj s LYS 482 Cb 0.01 -2.18 -0.04 0.00 -0.52 0.00 0.00 37.83 35.11 1yaj s LYS 482 CO 0.11 0.05 0.13 -1.21 -0.92 0.00 0.00 175.35 173.51 1yaj s GLU 483 N -3.89 2.91 0.00 1.68 2.02 -1.26 -4.68 118.70 115.47 1yaj s GLU 483 Ca 0.39 -0.83 0.00 0.00 0.02 0.00 0.00 54.97 54.55 1yaj s GLU 483 Cb -0.02 -2.67 0.00 0.00 0.10 0.00 0.00 34.13 31.55 1yaj s GLU 483 CO 0.23 0.50 0.00 0.41 0.02 0.00 0.00 175.26 176.42 1yaj n GLY 484 N -0.20 1.23 3.62 -1.39 0.00 -1.26 -5.05 105.19 102.14 1yaj n GLY 484 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1yaj n GLY 484 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj s ALA 485 N -2.00 3.53 0.97 4.61 0.00 -1.26 -4.91 121.76 122.70 1yaj s ALA 485 Ca 0.00 -0.38 -0.11 0.00 0.00 0.00 0.00 51.96 51.47 1yaj s ALA 485 Cb 0.00 -3.35 0.15 0.00 0.00 0.00 0.00 23.12 19.92 1yaj s ALA 485 CO 0.00 -1.24 0.97 -1.13 0.00 0.00 0.00 175.76 174.35 1yaj n SER 486 N 6.30 -0.46 0.13 0.00 3.41 -1.26 -4.75 113.62 116.98 1yaj n SER 486 Ca 0.05 0.30 0.03 0.00 -0.26 0.00 0.00 58.87 58.99 1yaj n SER 486 Cb 0.48 -1.38 0.41 0.00 -0.26 0.00 0.00 64.21 63.46 1yaj n SER 486 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1yaj h GLU 487 N -1.97 0.22 0.49 4.33 4.57 -2.00 -2.48 114.58 117.74 1yaj h GLU 487 Ca -0.46 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 57.65 1yaj h GLU 487 Cb 1.28 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 1yaj h GLU 487 CO 0.41 0.34 -0.24 1.49 -1.18 0.00 0.00 179.01 179.84 1yaj h GLU 488 N 0.22 -0.63 -0.31 1.92 4.81 -2.01 -3.06 114.58 115.52 1yaj h GLU 488 Ca 0.05 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1yaj h GLU 488 Cb 0.33 0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 1yaj h GLU 488 CO 0.02 -0.34 0.10 1.49 -0.73 0.00 0.00 179.01 179.55 1yaj h GLU 489 N -0.88 0.22 -0.91 1.92 4.81 -1.89 -1.30 114.58 116.55 1yaj h GLU 489 Ca -0.07 -0.01 0.24 0.00 -0.13 0.00 0.00 59.36 59.39 1yaj h GLU 489 Cb 0.59 -0.05 -0.13 0.00 0.63 0.00 0.00 28.75 29.79 1yaj h GLU 489 CO 0.11 0.15 0.38 0.82 -0.73 0.00 0.00 179.01 179.74 1yaj h ILE 490 N 0.23 0.40 -0.03 2.32 2.04 -1.51 0.92 117.51 121.87 1yaj h ILE 490 Ca 0.14 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 1yaj h ILE 490 Cb 0.12 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.23 1yaj h ILE 490 CO -0.15 0.06 -0.00 -0.09 0.00 0.00 0.00 178.15 177.97 1yaj h ARG 491 N 0.34 0.06 -0.10 2.37 2.43 -1.17 -2.34 114.38 115.96 1yaj h ARG 491 Ca 0.59 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.78 1yaj h ARG 491 Cb 1.19 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.69 1yaj h ARG 491 CO -0.58 0.36 -0.14 1.25 -1.51 0.00 0.00 179.97 179.36 1yaj h LEU 492 N -0.25 -0.42 -1.60 3.80 5.85 0.49 -0.02 115.31 123.17 1yaj h LEU 492 Ca 0.01 0.08 0.19 0.00 0.84 0.00 0.00 57.88 59.00 1yaj h LEU 492 Cb 0.34 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 1yaj h LEU 492 CO 0.00 -0.18 0.57 -1.28 -0.34 0.00 0.00 178.44 177.21 1yaj h SER 493 N -0.18 0.35 0.27 1.25 0.87 0.78 -1.58 113.55 115.31 1yaj h SER 493 Ca 0.08 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 1yaj h SER 493 Cb 0.30 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1yaj h SER 493 CO -0.21 0.15 -0.13 0.11 -0.53 0.00 0.00 176.83 176.22 1yaj h LYS 494 N 0.35 -0.35 -0.35 2.24 1.57 -0.50 -2.67 116.57 116.86 1yaj h LYS 494 Ca 0.43 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 59.31 1yaj h LYS 494 Cb 1.14 0.08 -0.08 0.00 0.08 0.00 0.00 32.23 33.44 1yaj h LYS 494 CO -0.14 0.00 -0.22 1.98 -0.57 0.00 0.00 179.45 180.51 1yaj h MET 495 N -0.84 -0.16 -0.88 3.15 4.05 -0.43 0.68 114.93 120.50 1yaj h MET 495 Ca -0.04 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 1yaj h MET 495 Cb 0.51 0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 31.31 1yaj h MET 495 CO 0.06 -0.11 0.51 0.28 0.23 0.00 0.00 176.91 177.89 1yaj h VAL 496 N -0.17 1.24 -0.35 -5.77 2.07 -1.41 0.15 116.25 112.02 1yaj h VAL 496 Ca 0.17 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1yaj h VAL 496 Cb 0.44 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1yaj h VAL 496 CO -0.45 0.26 0.20 0.24 0.02 0.00 0.00 177.57 177.84 1yaj h MET 497 N 1.21 0.48 -0.66 1.57 2.07 -0.90 0.13 114.93 118.83 1yaj h MET 497 Ca 0.31 -0.05 -0.09 0.00 -2.07 0.00 0.00 59.70 57.81 1yaj h MET 497 Cb -0.03 -0.10 -0.03 0.00 -1.87 0.00 0.00 31.60 29.58 1yaj h MET 497 CO -0.06 0.39 0.08 -0.22 1.07 0.00 0.00 176.91 178.17 1yaj h LYS 498 N 0.44 1.12 0.21 1.72 3.64 -0.35 0.31 116.57 123.66 1yaj h LYS 498 Ca 0.12 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1yaj h LYS 498 Cb 0.04 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1yaj h LYS 498 CO -0.02 1.04 -0.20 0.74 -2.27 0.00 0.00 179.45 178.74 1yaj h PHE 499 N 1.04 -0.51 0.40 1.91 0.05 -0.22 0.42 116.94 120.03 1yaj h PHE 499 Ca 0.20 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.98 1yaj h PHE 499 Cb 0.48 0.20 -0.03 0.00 2.00 0.00 0.00 35.95 38.60 1yaj h PHE 499 CO 0.04 -0.30 -0.51 -1.49 -0.18 0.00 0.00 178.31 175.87 1yaj h TRP 500 N -0.43 -1.43 -0.69 -0.55 -0.00 -0.38 0.01 115.95 112.48 1yaj h TRP 500 Ca -0.00 0.02 0.08 0.00 -0.00 0.00 0.00 58.89 58.99 1yaj h TRP 500 Cb 0.40 0.57 -0.04 0.00 -0.00 0.00 0.00 29.16 30.09 1yaj h TRP 500 CO -0.14 -0.65 0.45 0.00 -0.00 0.00 0.00 178.44 178.10 1yaj h ALA 501 N -0.83 1.83 -0.83 1.49 0.00 -0.85 0.13 119.26 120.21 1yaj h ALA 501 Ca -0.05 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1yaj h ALA 501 Cb 0.84 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1yaj h ALA 501 CO -0.12 0.04 0.55 -0.91 0.00 0.00 0.00 179.25 178.80 1yaj h ASN 502 N 0.62 0.93 0.93 0.00 4.21 0.89 0.39 115.58 123.55 1yaj h ASN 502 Ca 0.31 -0.02 -0.05 0.00 1.21 0.00 0.00 56.30 57.75 1yaj h ASN 502 Cb 0.40 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.37 1yaj h ASN 502 CO -0.10 0.67 -0.22 0.15 -1.29 0.00 0.00 177.43 176.63 1yaj h PHE 503 N 1.10 0.00 0.00 1.19 3.57 0.11 -2.62 116.94 120.29 1yaj h PHE 503 Ca 0.31 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.69 1yaj h PHE 503 Cb -0.09 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 1yaj h PHE 503 CO -0.02 0.22 -0.58 0.00 -2.23 0.00 0.00 178.31 175.70 1yaj h ALA 504 N 1.78 0.64 0.03 2.41 0.00 0.23 0.49 119.26 124.83 1yaj h ALA 504 Ca -0.00 -0.53 -0.10 0.00 0.00 0.00 0.00 54.91 54.28 1yaj h ALA 504 Cb 0.75 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.45 1yaj h ALA 504 CO 0.03 0.72 -0.40 0.00 0.00 0.00 0.00 179.25 179.60 1yaj h ARG 505 N 0.00 0.21 0.00 0.00 3.08 -0.64 -3.42 114.38 113.62 1yaj h ARG 505 Ca -0.01 -0.27 -0.10 0.00 0.07 0.00 0.00 59.98 59.67 1yaj h ARG 505 Cb 1.42 0.09 -0.22 0.00 0.08 0.00 0.00 29.97 31.34 1yaj h ARG 505 CO 0.08 1.04 -0.79 0.27 -1.07 0.00 0.00 179.97 179.49 1yaj n ASN 506 N -4.39 0.67 -3.37 7.04 6.94 -1.03 -4.99 115.26 116.12 1yaj n ASN 506 Ca -0.11 -2.08 -0.24 0.00 -0.02 0.00 0.00 54.58 52.12 1yaj n ASN 506 Cb 0.60 -0.27 0.02 0.00 -2.36 0.00 0.00 39.78 37.78 1yaj n ASN 506 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1yaj n GLY 507 N 0.21 -0.51 3.28 4.83 0.00 0.16 -4.94 105.19 108.23 1yaj n GLY 507 Ca 0.04 0.14 -0.03 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.69 0.45 1.61 3.84 -1.25 -4.93 114.94 111.08 1yaj s ASN 508 Ca 0.44 0.99 0.22 0.00 0.21 0.00 0.00 52.86 54.72 1yaj s ASN 508 Cb -0.21 1.78 1.08 0.00 -0.55 0.00 0.00 41.25 43.35 1yaj s ASN 508 CO 0.54 -0.25 1.93 1.55 -2.79 0.00 0.00 177.10 178.08 1yaj h PRO 509 N 8.08 0.00 -7.02 0.43 0.13 -1.79 -3.13 132.00 128.70 1yaj h PRO 509 Ca -0.19 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.41 1yaj h PRO 509 Cb 1.13 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.36 1yaj h PRO 509 CO 0.18 0.23 0.56 -0.80 -0.23 0.00 0.00 178.00 177.94 1yaj s ASN 510 N -6.40 5.72 0.00 1.44 0.01 -1.26 -4.54 114.94 109.91 1yaj s ASN 510 Ca -0.02 2.58 0.00 0.00 -0.71 0.00 0.00 52.86 54.71 1yaj s ASN 510 Cb 0.13 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 39.16 1yaj s ASN 510 CO 0.64 -1.24 0.00 0.61 -1.51 0.00 0.00 177.10 175.60 1yaj n GLY 511 N 0.61 3.97 3.54 0.66 0.00 -1.26 -4.96 105.19 107.74 1yaj n GLY 511 Ca 0.08 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 1yaj n GLY 511 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1yaj s GLU 512 N 4.71 3.54 -0.05 1.61 -1.05 -1.26 -4.46 118.70 121.74 1yaj s GLU 512 Ca 0.00 -0.50 0.00 0.00 -0.15 0.00 0.00 54.97 54.32 1yaj s GLU 512 Cb 0.00 -2.89 0.00 0.00 -0.44 0.00 0.00 34.13 30.80 1yaj s GLU 512 CO 0.00 0.33 0.00 0.41 0.95 0.00 0.00 175.26 176.95 1yaj n GLY 513 N 3.26 0.45 3.35 -3.83 0.00 -1.26 -5.02 105.19 102.14 1yaj n GLY 513 Ca -0.17 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 1yaj n GLY 513 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yaj s LEU 514 N -0.12 2.19 0.46 0.99 1.43 -1.26 -5.10 118.68 117.27 1yaj s LEU 514 Ca 0.00 -0.48 -0.22 0.00 -1.03 0.00 0.00 54.13 52.40 1yaj s LEU 514 Cb 0.00 -1.35 -0.10 0.00 0.03 0.00 0.00 46.19 44.77 1yaj s LEU 514 CO 0.00 0.30 0.83 -2.65 0.23 0.00 0.00 176.35 175.06 1yaj n PRO 515 N 2.15 0.99 -2.15 1.29 -0.02 -1.26 -4.70 135.00 131.29 1yaj n PRO 515 Ca -0.16 0.36 -0.41 0.00 -2.02 0.00 0.00 63.50 61.26 1yaj n PRO 515 Cb 0.51 -1.88 -0.03 0.00 -0.02 0.00 0.00 33.50 32.08 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 -1.41 3.19 -0.35 6.00 2.46 -1.26 -4.86 115.29 119.06 1yaj s HIS 516 Ca 0.66 1.10 -0.00 0.00 0.47 0.00 0.00 55.06 57.29 1yaj s HIS 516 Cb -0.54 -3.68 0.09 0.00 -0.13 0.00 0.00 32.58 28.32 1yaj s HIS 516 CO 0.55 -2.22 0.08 -0.46 -2.47 0.00 0.00 174.74 170.23 1yaj s TRP 517 N 0.30 3.52 0.27 3.88 -0.11 -1.26 -4.45 118.94 121.08 1yaj s TRP 517 Ca 0.59 -2.41 -0.30 0.00 1.22 0.00 0.00 56.10 55.21 1yaj s TRP 517 Cb -0.38 -2.74 -0.10 0.00 -1.50 0.00 0.00 33.47 28.75 1yaj s TRP 517 CO 0.38 -0.91 1.38 -1.25 -4.62 0.00 0.00 176.95 171.92 1yaj s PRO 518 N 1.11 4.31 0.29 5.86 0.04 -1.26 -4.79 135.00 140.55 1yaj s PRO 518 Ca 0.04 2.24 -0.30 0.00 0.04 0.00 0.00 61.00 63.03 1yaj s PRO 518 Cb -0.21 -3.11 -0.10 0.00 0.04 0.00 0.00 34.50 31.12 1yaj s PRO 518 CO -0.04 -0.32 1.45 -2.00 0.04 0.00 0.00 177.00 176.12 1yaj s GLU 519 N -0.83 4.24 -1.01 4.56 2.12 -1.26 -4.58 118.70 121.94 1yaj s GLU 519 Ca 0.55 2.37 -0.24 0.00 0.36 0.00 0.00 54.97 58.02 1yaj s GLU 519 Cb -0.40 -3.07 -0.05 0.00 0.26 0.00 0.00 34.13 30.87 1yaj s GLU 519 CO 0.46 -0.43 1.89 -0.47 -0.54 0.00 0.00 175.26 176.17 1yaj s TYR 520 N -0.35 1.95 0.00 5.30 5.04 0.80 -4.38 117.35 125.73 1yaj s TYR 520 Ca 0.57 0.36 0.00 0.00 -2.44 0.00 0.00 57.07 55.56 1yaj s TYR 520 Cb -0.43 -4.12 0.00 0.00 0.35 0.00 0.00 41.96 37.76 1yaj s TYR 520 CO 0.48 -1.60 0.00 0.27 -1.34 0.00 0.00 175.55 173.36 1yaj n ASN 521 N 13.44 0.11 0.31 4.32 0.23 -1.26 -4.48 115.26 127.93 1yaj n ASN 521 Ca 0.41 0.00 0.19 0.00 -0.53 0.00 0.00 54.58 54.66 1yaj n ASN 521 Cb 0.47 0.00 1.00 0.00 -2.08 0.00 0.00 39.78 39.17 1yaj n ASN 521 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1yaj h GLN 522 N 0.00 0.00 0.00 -3.83 1.08 -2.00 0.77 115.11 111.13 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 0.02 0.00 1.63 -0.95 0.00 0.00 178.83 179.53 1yaj n LYS 523 N -3.24 0.26 -3.43 1.46 4.01 -1.26 -4.93 118.16 111.02 1yaj n LYS 523 Ca -0.02 0.24 -0.18 0.00 -0.51 0.00 0.00 58.31 57.84 1yaj n LYS 523 Cb 0.15 -1.82 0.09 0.00 -0.51 0.00 0.00 35.03 32.94 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 -2.27 -6.74 -2.98 1.97 1.02 0.26 -3.73 120.64 108.17 1yaj n GLU 524 Ca 0.05 0.83 -0.40 0.00 -0.02 0.00 0.00 57.16 57.62 1yaj n GLU 524 Cb 0.41 -5.81 -0.05 0.00 -0.02 0.00 0.00 31.44 25.98 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 -4.16 2.73 0.39 0.62 0.00 -1.26 -1.14 107.32 104.50 1yaj s GLY 525 Ca 0.10 0.25 0.04 0.00 0.00 0.00 0.00 44.72 45.11 1yaj s GLY 525 CO 0.72 1.20 0.14 -2.52 0.00 0.00 0.00 173.10 172.63 1yaj s TYR 526 N 0.43 1.77 -0.04 1.90 -0.85 -0.36 -3.62 117.35 116.58 1yaj s TYR 526 Ca 0.40 -1.30 0.06 0.00 -0.52 0.00 0.00 57.07 55.70 1yaj s TYR 526 Cb -0.19 -1.10 -0.02 0.00 0.38 0.00 0.00 41.96 41.02 1yaj s TYR 526 CO 0.21 -0.34 -0.21 -1.17 -1.52 0.00 0.00 175.55 172.52 1yaj s LEU 527 N -3.56 2.36 -0.36 -3.49 2.96 -0.87 -0.96 118.68 114.77 1yaj s LEU 527 Ca 0.27 -0.36 -0.13 0.00 -0.22 0.00 0.00 54.13 53.69 1yaj s LEU 527 Cb 0.03 -1.44 -0.01 0.00 0.50 0.00 0.00 46.19 45.28 1yaj s LEU 527 CO 0.16 0.32 0.25 -1.10 -1.32 0.00 0.00 176.35 174.65 1yaj s GLN 528 N -0.58 3.32 -0.12 1.98 -0.21 -0.94 -1.98 119.66 121.13 1yaj s GLN 528 Ca 0.08 -0.76 -0.06 0.00 0.02 0.00 0.00 55.36 54.64 1yaj s GLN 528 Cb -0.11 -3.82 -0.04 0.00 1.00 0.00 0.00 33.01 30.04 1yaj s GLN 528 CO 0.00 -0.53 0.11 0.42 -2.12 0.00 0.00 175.29 173.18 1yaj s ILE 529 N 1.69 5.29 -1.64 1.08 1.01 -0.79 -3.18 121.20 124.66 1yaj s ILE 529 Ca 0.05 0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.83 1yaj s ILE 529 Cb -0.18 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 38.99 1yaj s ILE 529 CO 0.10 0.60 0.00 0.61 0.00 0.00 0.00 174.94 176.25 1yaj n GLY 530 N 2.13 -0.72 0.45 6.18 0.00 -1.26 0.91 105.19 112.89 1yaj n GLY 530 Ca -0.19 -0.40 -0.17 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.28 -2.93 4.61 0.00 -1.95 -3.38 119.26 114.32 1yaj h ALA 531 Ca 0.00 -0.24 -0.62 0.00 0.00 0.00 0.00 54.91 54.05 1yaj h ALA 531 Cb 0.00 0.47 -0.14 0.00 0.00 0.00 0.00 17.79 18.12 1yaj h ALA 531 CO 0.00 -1.21 -0.37 -0.80 0.00 0.00 0.00 179.25 176.87 1yaj s ASN 532 N -3.71 6.23 -0.18 0.00 0.01 -1.26 -5.04 114.94 110.99 1yaj s ASN 532 Ca -0.16 0.25 -0.04 0.00 -0.71 0.00 0.00 52.86 52.20 1yaj s ASN 532 Cb 0.02 -2.16 -0.02 0.00 0.41 0.00 0.00 41.25 39.49 1yaj s ASN 532 CO 0.50 -0.03 -0.03 -0.89 -1.51 0.00 0.00 177.10 175.13 1yaj s THR 533 N 1.39 3.75 -0.01 1.60 2.01 -1.26 -4.78 115.64 118.33 1yaj s THR 533 Ca 0.12 -0.39 -0.29 0.00 0.31 0.00 0.00 61.69 61.44 1yaj s THR 533 Cb -0.15 -2.66 0.08 0.00 0.01 0.00 0.00 72.50 69.78 1yaj s THR 533 CO 0.07 0.46 0.72 0.00 -0.69 0.00 0.00 174.62 175.19 1yaj s GLN 534 N 0.76 1.03 1.08 4.92 0.00 -1.19 -4.94 119.66 121.32 1yaj s GLN 534 Ca -0.01 0.02 -0.16 0.00 -0.00 0.00 0.00 55.36 55.21 1yaj s GLN 534 Cb -0.14 0.48 0.23 0.00 0.00 0.00 0.00 33.01 33.57 1yaj s GLN 534 CO 0.02 -0.37 1.12 0.00 0.00 0.00 0.00 175.29 176.06 1yaj s ALA 535 N -1.95 0.92 0.29 2.60 0.00 -1.26 -2.21 121.76 120.15 1yaj s ALA 535 Ca -0.05 -0.69 -0.19 0.00 0.00 0.00 0.00 51.96 51.03 1yaj s ALA 535 Cb -0.00 -2.99 0.06 0.00 0.00 0.00 0.00 23.12 20.19 1yaj s ALA 535 CO 0.02 -3.11 0.89 0.00 0.00 0.00 0.00 175.76 173.55 1yaj s ALA 536 N -3.06 -1.15 0.08 0.00 0.00 -0.13 -4.79 121.76 112.71 1yaj s ALA 536 Ca 0.68 -0.51 0.04 0.00 0.00 0.00 0.00 51.96 52.17 1yaj s ALA 536 Cb -0.14 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.67 1yaj s ALA 536 CO 0.56 -1.02 -0.12 -0.65 0.00 0.00 0.00 175.76 174.53 1yaj s GLN 537 N -2.42 0.83 -0.40 0.00 -0.21 -1.26 -1.22 119.66 114.97 1yaj s GLN 537 Ca 0.17 -1.05 -0.12 0.00 0.02 0.00 0.00 55.36 54.39 1yaj s GLN 537 Cb -0.04 -0.68 0.02 0.00 1.00 0.00 0.00 33.01 33.30 1yaj s GLN 537 CO 0.08 0.13 0.45 1.63 -2.12 0.00 0.00 175.29 175.47 1yaj n LYS 538 N 0.94 -2.68 -3.13 2.91 5.02 -0.29 -4.96 118.16 115.97 1yaj n LYS 538 Ca -0.19 2.30 -0.41 0.00 -2.02 0.00 0.00 58.31 58.00 1yaj n LYS 538 Cb 0.56 -5.62 -0.07 0.00 -0.02 0.00 0.00 35.03 29.88 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 -2.37 4.07 -1.45 -0.35 2.96 -1.26 -4.09 118.68 116.20 1yaj s LEU 539 Ca 0.19 0.63 -0.09 0.00 -0.22 0.00 0.00 54.13 54.64 1yaj s LEU 539 Cb -0.05 -2.82 0.03 0.00 0.50 0.00 0.00 46.19 43.85 1yaj s LEU 539 CO 0.77 -0.37 0.92 0.29 -1.32 0.00 0.00 176.35 176.64 1yaj n LYS 540 N 5.71 -6.18 0.12 1.98 4.76 -1.26 -4.92 118.16 118.37 1yaj n LYS 540 Ca -0.01 0.78 -0.13 0.00 -2.87 0.00 0.00 58.31 56.07 1yaj n LYS 540 Cb 0.49 -5.72 -0.08 0.00 -1.84 0.00 0.00 35.03 27.88 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 -2.04 -0.24 -0.03 4.39 3.58 -1.97 -1.42 116.42 118.69 1yaj h ASP 541 Ca -0.55 -0.18 -0.05 0.00 0.42 0.00 0.00 57.03 56.66 1yaj h ASP 541 Cb 1.36 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 42.46 1yaj h ASP 541 CO 0.59 0.06 -0.12 0.50 -2.88 0.00 0.00 179.24 177.39 1yaj h LYS 542 N -0.55 0.31 0.68 0.28 3.64 -1.92 -2.15 116.57 116.87 1yaj h LYS 542 Ca -0.03 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.24 1yaj h LYS 542 Cb 0.41 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1yaj h LYS 542 CO 0.05 0.44 -0.33 0.93 -2.27 0.00 0.00 179.45 178.26 1yaj h GLU 543 N 0.29 -0.89 -0.57 1.90 3.07 -1.92 -1.21 114.58 115.25 1yaj h GLU 543 Ca 0.06 0.06 0.01 0.00 -0.50 0.00 0.00 59.36 58.99 1yaj h GLU 543 Cb 0.39 0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 28.47 1yaj h GLU 543 CO 0.02 -0.56 0.38 0.28 -1.40 0.00 0.00 179.01 177.73 1yaj h VAL 544 N -1.07 1.13 0.00 3.13 2.07 -1.21 -2.14 116.25 118.17 1yaj h VAL 544 Ca -0.09 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1yaj h VAL 544 Cb 0.74 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1yaj h VAL 544 CO 0.15 0.14 0.00 0.00 0.02 0.00 0.00 177.57 177.88 1yaj n ALA 545 N -2.45 0.00 -0.21 1.67 0.00 -0.81 -1.79 120.51 116.92 1yaj n ALA 545 Ca 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.44 1yaj n ALA 545 Cb 0.06 0.01 -0.05 0.00 0.00 0.00 0.00 19.45 19.48 1yaj n ALA 545 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1yaj n PHE 546 N -0.46 -0.22 -0.19 0.00 7.35 -0.47 -0.34 117.46 123.13 1yaj n PHE 546 Ca 0.00 0.63 0.13 0.00 -0.76 0.00 0.00 57.45 57.44 1yaj n PHE 546 Cb 0.00 -0.51 0.45 0.00 0.35 0.00 0.00 39.48 39.77 1yaj n PHE 546 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 1yaj h TRP 547 N 0.00 0.61 0.00 -5.13 -0.00 -1.46 0.11 115.95 110.08 1yaj h TRP 547 Ca 0.08 0.02 -0.09 0.00 -0.00 0.00 0.00 58.89 58.89 1yaj h TRP 547 Cb 0.21 -0.20 -0.01 0.00 -0.00 0.00 0.00 29.16 29.16 1yaj h TRP 547 CO -0.61 0.25 -0.44 1.15 -0.00 0.00 0.00 178.44 178.79 1yaj h THR 548 N 0.54 1.28 -0.13 1.49 2.02 0.14 -2.54 112.91 115.71 1yaj h THR 548 Ca 0.37 -1.53 -0.02 0.00 0.77 0.00 0.00 66.41 66.01 1yaj h THR 548 Cb 0.69 1.83 -0.00 0.00 -1.74 0.00 0.00 68.15 68.92 1yaj h THR 548 CO -0.14 0.43 0.01 0.78 0.37 0.00 0.00 175.52 176.98 1yaj h ASN 549 N 0.00 0.21 0.58 4.18 4.21 -0.42 -2.58 115.58 121.76 1yaj h ASN 549 Ca -0.00 -0.29 -0.03 0.00 1.21 0.00 0.00 56.30 57.19 1yaj h ASN 549 Cb 0.80 -0.06 0.01 0.00 -1.12 0.00 0.00 38.32 37.94 1yaj h ASN 549 CO 0.06 0.45 -0.28 0.25 -1.29 0.00 0.00 177.43 176.62 1yaj h LEU 550 N -0.03 -0.66 -1.95 1.61 5.85 -1.32 -2.71 115.31 116.10 1yaj h LEU 550 Ca 0.04 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1yaj h LEU 550 Cb 0.33 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1yaj h LEU 550 CO 0.00 -0.40 0.17 -0.26 -0.34 0.00 0.00 178.44 177.61 1yaj h PHE 551 N -0.88 0.00 0.00 1.25 -1.00 -1.52 -0.38 116.94 114.40 1yaj h PHE 551 Ca -0.08 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.70 1yaj h PHE 551 Cb 0.64 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.20 1yaj h PHE 551 CO -0.02 0.00 0.00 0.00 -1.61 0.00 0.00 178.31 176.68 1yaj n ALA 552 N -1.86 1.24 -0.91 2.45 0.00 -0.97 -5.10 120.51 115.36 1yaj n ALA 552 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1yaj n ALA 552 Cb 0.21 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1yaj n ALA 552 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67