#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 6.88 0.42 4.04 0.01 -1.26 -4.99 113.70 118.81 1yaj s SER 22 Ca 0.00 1.46 -0.23 0.00 1.31 0.00 0.00 55.95 58.49 1yaj s SER 22 Cb 0.00 -2.54 -0.12 0.00 0.21 0.00 0.00 66.02 63.57 1yaj s SER 22 CO 0.00 -0.85 0.69 -2.65 0.41 0.00 0.00 173.24 170.83 1yaj n PRO 23 N 6.80 0.78 -1.91 12.44 -0.02 -1.26 -4.87 135.00 146.96 1yaj n PRO 23 Ca 0.14 0.28 -0.42 0.00 -2.02 0.00 0.00 63.50 61.48 1yaj n PRO 23 Cb 0.46 -1.67 -0.03 0.00 -0.02 0.00 0.00 33.50 32.24 1yaj n PRO 23 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1yaj s PRO 24 N -1.73 4.19 -0.16 0.52 0.02 -1.26 -4.88 135.00 131.70 1yaj s PRO 24 Ca 0.64 2.34 0.01 0.00 0.02 0.00 0.00 61.00 64.01 1yaj s PRO 24 Cb -0.59 -3.70 0.03 0.00 0.02 0.00 0.00 34.50 30.26 1yaj s PRO 24 CO 0.57 -0.77 -0.15 0.08 -0.33 0.00 0.00 177.00 176.40 1yaj s VAL 25 N 2.98 1.68 -0.04 3.83 1.01 -1.26 -0.52 120.40 128.08 1yaj s VAL 25 Ca 0.75 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 62.02 1yaj s VAL 25 Cb -0.39 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 1yaj s VAL 25 CO 0.33 0.42 -0.19 -0.69 0.00 0.00 0.00 175.10 174.98 1yaj s VAL 26 N 1.43 1.54 -0.10 2.92 1.01 0.07 -4.94 120.40 122.33 1yaj s VAL 26 Ca 0.04 -0.78 -0.17 0.00 0.00 0.00 0.00 61.98 61.06 1yaj s VAL 26 Cb -0.13 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.89 1yaj s VAL 26 CO -0.11 0.44 0.45 -0.62 0.00 0.00 0.00 175.10 175.27 1yaj s ASP 27 N -0.02 6.69 0.55 3.32 -1.08 -1.26 0.65 116.67 125.52 1yaj s ASP 27 Ca -0.03 0.82 0.03 0.00 -0.52 0.00 0.00 52.55 52.85 1yaj s ASP 27 Cb -0.12 -2.27 0.02 0.00 -1.46 0.00 0.00 42.92 39.09 1yaj s ASP 27 CO 0.02 0.06 0.22 0.42 0.52 0.00 0.00 175.17 176.41 1yaj s THR 28 N 0.32 1.29 0.36 1.71 -4.23 0.49 -4.85 115.64 110.73 1yaj s THR 28 Ca 0.25 -1.73 0.06 0.00 -1.18 0.00 0.00 61.69 59.08 1yaj s THR 28 Cb -0.15 -2.03 0.19 0.00 1.34 0.00 0.00 72.50 71.85 1yaj s THR 28 CO 0.10 0.00 1.93 0.58 -0.54 0.00 0.00 174.62 176.69 1yaj h VAL 29 N 0.97 1.17 0.00 2.29 2.07 -1.96 -2.85 116.25 117.94 1yaj h VAL 29 Ca -0.40 -0.63 -0.16 0.00 0.82 0.00 0.00 66.70 66.34 1yaj h VAL 29 Cb 1.32 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 1yaj h VAL 29 CO 0.64 0.22 -1.48 1.41 0.02 0.00 0.00 177.57 178.39 1yaj n HIS 30 N -4.33 0.87 0.00 1.57 8.25 -1.26 -5.03 115.22 115.29 1yaj n HIS 30 Ca 0.02 0.29 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 1yaj n HIS 30 Cb 0.20 -1.04 0.00 0.00 1.12 0.00 0.00 29.99 30.26 1yaj n HIS 30 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1yaj n GLY 31 N 1.40 1.16 3.77 -1.41 0.00 -1.08 -2.60 105.19 106.42 1yaj n GLY 31 Ca -0.10 -1.04 -0.39 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.00 4.46 -0.03 1.61 1.02 -1.26 -0.38 119.74 123.16 1yaj s LYS 32 Ca 0.00 1.66 0.04 0.00 0.02 0.00 0.00 55.97 57.70 1yaj s LYS 32 Cb 0.00 -2.93 -0.01 0.00 -0.52 0.00 0.00 37.83 34.38 1yaj s LYS 32 CO 0.00 0.09 -0.16 0.08 -0.92 0.00 0.00 175.35 174.43 1yaj s VAL 33 N -1.37 1.32 -0.18 3.17 1.01 0.21 -1.64 120.40 122.92 1yaj s VAL 33 Ca 0.50 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.74 1yaj s VAL 33 Cb -0.27 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 1yaj s VAL 33 CO 0.35 0.38 0.01 -0.22 0.00 0.00 0.00 175.10 175.61 1yaj s LEU 34 N -0.14 3.42 0.00 3.92 1.98 -0.70 -0.75 118.68 126.41 1yaj s LEU 34 Ca 0.01 -0.09 0.00 0.00 -2.89 0.00 0.00 54.13 51.16 1yaj s LEU 34 Cb -0.09 -1.85 0.00 0.00 0.66 0.00 0.00 46.19 44.91 1yaj s LEU 34 CO 0.01 0.14 0.00 0.61 -1.89 0.00 0.00 176.35 175.21 1yaj n GLY 35 N 3.77 5.13 3.63 7.98 0.00 0.32 -0.07 105.19 125.95 1yaj n GLY 35 Ca -0.17 -1.69 -0.13 0.00 0.00 0.00 0.00 46.02 44.03 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 3.50 0.81 0.41 1.61 -2.85 -0.72 -4.18 119.74 118.33 1yaj s LYS 36 Ca 0.00 1.00 -0.23 0.00 -1.00 0.00 0.00 55.97 55.74 1yaj s LYS 36 Cb 0.00 0.38 -0.10 0.00 -2.06 0.00 0.00 37.83 36.05 1yaj s LYS 36 CO 0.00 -0.10 1.00 -0.06 0.10 0.00 0.00 175.35 176.29 1yaj s PHE 37 N 0.49 3.29 -0.37 1.78 2.99 -1.26 -0.54 117.98 124.37 1yaj s PHE 37 Ca -0.01 1.64 0.03 0.00 0.00 0.00 0.00 56.93 58.59 1yaj s PHE 37 Cb -0.05 -2.99 0.15 0.00 0.00 0.00 0.00 43.02 40.13 1yaj s PHE 37 CO -0.01 -0.37 0.35 0.08 -0.00 0.00 0.00 175.22 175.27 1yaj s VAL 38 N -1.88 -0.23 0.41 -0.44 1.01 0.08 -4.91 120.40 114.43 1yaj s VAL 38 Ca 0.60 -1.20 -0.26 0.00 0.00 0.00 0.00 61.98 61.12 1yaj s VAL 38 Cb -0.16 -0.76 -0.10 0.00 0.00 0.00 0.00 36.38 35.36 1yaj s VAL 38 CO 0.21 -0.68 1.36 -1.20 0.00 0.00 0.00 175.10 174.79 1yaj n SER 39 N 4.11 3.03 -4.37 3.32 7.64 -1.26 -3.86 113.62 122.23 1yaj n SER 39 Ca 0.12 1.15 -0.34 0.00 1.01 0.00 0.00 58.87 60.81 1yaj n SER 39 Cb 0.44 -1.55 -0.14 0.00 -1.01 0.00 0.00 64.21 61.95 1yaj n SER 39 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1yaj s LEU 40 N -1.90 2.91 -0.15 -3.43 2.96 -1.26 -4.99 118.68 112.83 1yaj s LEU 40 Ca 0.58 -0.32 -0.13 0.00 -0.22 0.00 0.00 54.13 54.05 1yaj s LEU 40 Cb -0.50 -1.71 -0.06 0.00 0.50 0.00 0.00 46.19 44.43 1yaj s LEU 40 CO 0.60 0.08 0.58 -1.84 -1.32 0.00 0.00 176.35 174.45 1yaj n GLU 41 N 4.13 0.00 0.00 1.98 0.28 -1.26 -0.16 120.64 125.61 1yaj n GLU 41 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.82 1yaj n GLU 41 Cb 0.52 -0.44 0.00 0.00 1.43 0.00 0.00 31.44 32.95 1yaj n GLU 41 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1yaj n GLY 42 N 1.89 2.96 3.61 -1.84 0.00 -1.26 -5.04 105.19 105.52 1yaj n GLY 42 Ca 0.14 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1yaj n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1yaj s PHE 43 N -2.51 3.20 0.20 1.61 0.40 0.78 -4.90 117.98 116.75 1yaj s PHE 43 Ca 0.00 0.78 0.22 0.00 -0.60 0.00 0.00 56.93 57.33 1yaj s PHE 43 Cb 0.00 -3.21 0.91 0.00 0.51 0.00 0.00 43.02 41.23 1yaj s PHE 43 CO 0.00 -0.57 1.83 0.00 0.70 0.00 0.00 175.22 177.19 1yaj h ALA 44 N 8.15 1.07 -1.93 5.36 0.00 -1.96 -3.39 119.26 126.56 1yaj h ALA 44 Ca -0.25 -0.24 -0.57 0.00 0.00 0.00 0.00 54.91 53.85 1yaj h ALA 44 Cb 1.10 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 1yaj h ALA 44 CO 0.88 0.34 0.96 -1.14 0.00 0.00 0.00 179.25 180.28 1yaj s GLN 45 N -3.75 3.90 0.24 0.00 2.00 -1.26 -5.00 119.66 115.79 1yaj s GLN 45 Ca -0.00 1.16 -0.30 0.00 -2.00 0.00 0.00 55.36 54.21 1yaj s GLN 45 Cb 0.11 -3.87 -0.09 0.00 0.80 0.00 0.00 33.01 29.96 1yaj s GLN 45 CO 0.65 -1.14 0.99 -1.25 -0.50 0.00 0.00 175.29 174.05 1yaj s PRO 46 N 4.16 4.77 -0.15 1.67 0.04 -1.26 -4.65 135.00 139.58 1yaj s PRO 46 Ca 0.54 1.58 -0.14 0.00 0.04 0.00 0.00 61.00 63.03 1yaj s PRO 46 Cb -0.15 -3.26 -0.05 0.00 0.04 0.00 0.00 34.50 31.08 1yaj s PRO 46 CO 0.23 0.39 0.31 0.08 0.04 0.00 0.00 177.00 178.05 1yaj s VAL 47 N -1.02 5.29 -0.23 -0.36 1.01 -1.25 -4.86 120.40 118.98 1yaj s VAL 47 Ca 0.43 0.59 -0.24 0.00 0.00 0.00 0.00 61.98 62.76 1yaj s VAL 47 Cb -0.28 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 1yaj s VAL 47 CO 0.34 0.38 0.79 0.00 0.00 0.00 0.00 175.10 176.62 1yaj s ALA 48 N 0.46 3.62 -0.21 5.51 0.00 -0.95 -0.74 121.76 129.45 1yaj s ALA 48 Ca 0.17 -0.15 -0.03 0.00 0.00 0.00 0.00 51.96 51.95 1yaj s ALA 48 Cb -0.13 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 1yaj s ALA 48 CO 0.05 -0.84 -0.05 0.42 0.00 0.00 0.00 175.76 175.33 1yaj s ILE 49 N 2.62 3.33 -0.11 0.00 1.01 0.30 -2.32 121.20 126.04 1yaj s ILE 49 Ca 0.34 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.50 1yaj s ILE 49 Cb -0.16 -2.50 -0.01 0.00 0.01 0.00 0.00 42.46 39.80 1yaj s ILE 49 CO 0.08 0.44 -0.19 -0.36 0.00 0.00 0.00 174.94 174.91 1yaj s PHE 50 N 1.35 2.67 -0.10 3.97 0.40 -0.81 -1.75 117.98 123.70 1yaj s PHE 50 Ca 0.04 -0.80 0.02 0.00 -0.60 0.00 0.00 56.93 55.59 1yaj s PHE 50 Cb -0.14 -1.76 0.01 0.00 0.51 0.00 0.00 43.02 41.64 1yaj s PHE 50 CO -0.03 -0.28 -0.15 -0.51 0.70 0.00 0.00 175.22 174.95 1yaj s LEU 51 N 0.26 1.71 0.00 -0.37 1.43 -0.55 -0.88 118.68 120.27 1yaj s LEU 51 Ca -0.13 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 1yaj s LEU 51 Cb -0.16 -1.06 0.00 0.00 0.03 0.00 0.00 46.19 45.00 1yaj s LEU 51 CO 0.07 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.28 1yaj n GLY 52 N 4.16 0.93 3.70 -3.19 0.00 -1.25 -3.87 105.19 105.67 1yaj n GLY 52 Ca -0.19 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 1yaj n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yaj s ILE 53 N -2.00 4.29 0.08 -0.61 1.01 -1.12 -4.81 121.20 118.04 1yaj s ILE 53 Ca 0.00 1.62 -0.30 0.00 0.00 0.00 0.00 60.65 61.97 1yaj s ILE 53 Cb 0.00 -4.04 -0.05 0.00 0.01 0.00 0.00 42.46 38.38 1yaj s ILE 53 CO 0.00 0.04 1.05 -2.16 0.00 0.00 0.00 174.94 173.88 1yaj s PRO 54 N 1.82 4.57 -0.10 2.79 0.04 -1.26 -1.64 135.00 141.22 1yaj s PRO 54 Ca 0.56 1.58 0.14 0.00 0.04 0.00 0.00 61.00 63.31 1yaj s PRO 54 Cb -0.25 -3.37 0.40 0.00 0.04 0.00 0.00 34.50 31.31 1yaj s PRO 54 CO 0.24 -0.01 1.31 1.97 0.04 0.00 0.00 177.00 180.55 1yaj n PHE 55 N 3.31 0.64 -3.62 0.56 1.16 -1.09 -4.94 117.46 113.48 1yaj n PHE 55 Ca 0.05 -0.74 -0.02 0.00 -1.87 0.00 0.00 57.45 54.88 1yaj n PHE 55 Cb 0.48 -0.19 -0.01 0.00 -1.61 0.00 0.00 39.48 38.16 1yaj n PHE 55 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1yaj s ALA 56 N -2.10 -2.07 0.39 1.98 0.00 -1.26 -4.53 121.76 114.18 1yaj s ALA 56 Ca 0.32 0.94 -0.15 0.00 0.00 0.00 0.00 51.96 53.07 1yaj s ALA 56 Cb 0.24 0.25 -0.08 0.00 0.00 0.00 0.00 23.12 23.52 1yaj s ALA 56 CO 0.10 -0.87 0.82 0.21 0.00 0.00 0.00 175.76 176.02 1yaj s LYS 57 N -2.60 3.97 -0.07 0.00 2.20 -0.47 -4.48 119.74 118.29 1yaj s LYS 57 Ca 0.12 0.73 -0.31 0.00 -0.36 0.00 0.00 55.97 56.15 1yaj s LYS 57 Cb 0.02 -2.33 -0.09 0.00 -1.51 0.00 0.00 37.83 33.92 1yaj s LYS 57 CO -0.04 0.00 2.04 -2.30 -0.36 0.00 0.00 175.35 174.69 1yaj n PRO 58 N -0.87 2.41 -0.76 4.03 -0.02 -1.26 -4.68 135.00 133.85 1yaj n PRO 58 Ca 0.04 0.83 -0.19 0.00 -2.02 0.00 0.00 63.50 62.16 1yaj n PRO 58 Cb 0.54 -2.98 -0.05 0.00 -0.02 0.00 0.00 33.50 30.99 1yaj n PRO 58 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1yaj n PRO 59 N 7.74 1.99 -3.78 0.52 -0.04 -1.26 -4.89 135.00 135.28 1yaj n PRO 59 Ca 0.24 -1.27 -0.23 0.00 -0.04 0.00 0.00 63.50 62.20 1yaj n PRO 59 Cb 0.39 -2.29 -0.02 0.00 -0.04 0.00 0.00 33.50 31.54 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 0.07 4.23 0.00 1.53 1.43 -1.26 -3.76 118.68 120.93 1yaj s LEU 60 Ca 0.43 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 1yaj s LEU 60 Cb 0.14 -3.02 0.00 0.00 0.03 0.00 0.00 46.19 43.34 1yaj s LEU 60 CO -0.03 -0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.05 1yaj n GLY 61 N -1.36 1.98 0.18 -3.19 0.00 -1.26 -1.98 105.19 99.57 1yaj n GLY 61 Ca -0.07 0.29 0.14 0.00 0.00 0.00 0.00 46.02 46.37 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 -0.09 1.61 0.13 -1.91 -3.09 132.00 128.65 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 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.05 1yaj n LEU 63 N -2.62 0.64 -4.78 1.56 4.77 -0.84 -4.82 117.00 110.92 1yaj n LEU 63 Ca 0.03 -0.29 -0.37 0.00 -0.03 0.00 0.00 56.01 55.34 1yaj n LEU 63 Cb 0.33 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.30 1yaj n LEU 63 CO 0.26 0.15 0.67 -0.60 -1.33 0.00 0.00 177.39 176.53 1yaj s ARG 64 N -1.88 4.52 -1.50 3.23 3.52 -1.17 -3.53 118.95 122.13 1yaj s ARG 64 Ca 0.21 1.38 -0.06 0.00 -0.13 0.00 0.00 55.73 57.13 1yaj s ARG 64 Cb 0.10 -2.77 0.02 0.00 -1.56 0.00 0.00 34.95 30.74 1yaj s ARG 64 CO 0.16 0.21 0.59 1.19 -0.81 0.00 0.00 175.30 176.64 1yaj n PHE 65 N 0.48 -1.95 -4.12 5.12 3.72 -1.26 -4.98 117.46 114.47 1yaj n PHE 65 Ca 0.02 0.51 -0.08 0.00 -0.05 0.00 0.00 57.45 57.86 1yaj n PHE 65 Cb 0.50 -4.20 -0.10 0.00 -0.94 0.00 0.00 39.48 34.74 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 -3.13 0.24 0.55 4.37 -4.23 -1.23 -4.85 115.64 107.36 1yaj s THR 66 Ca 0.32 -1.85 -0.19 0.00 -1.18 0.00 0.00 61.69 58.79 1yaj s THR 66 Cb -0.15 -1.69 -0.05 0.00 1.34 0.00 0.00 72.50 71.95 1yaj s THR 66 CO 0.40 -0.83 1.14 -2.84 -0.54 0.00 0.00 174.62 171.94 1yaj s PRO 67 N -3.95 3.29 0.13 3.99 0.02 -1.26 -4.95 135.00 132.27 1yaj s PRO 67 Ca 0.12 1.62 -0.31 0.00 0.02 0.00 0.00 61.00 62.45 1yaj s PRO 67 Cb 0.08 -2.00 -0.09 0.00 0.02 0.00 0.00 34.50 32.51 1yaj s PRO 67 CO -0.06 -0.90 1.45 -1.25 -0.33 0.00 0.00 177.00 175.90 1yaj s PRO 68 N -3.34 4.29 0.23 5.54 0.04 -1.26 -5.03 135.00 135.47 1yaj s PRO 68 Ca 0.73 2.17 0.03 0.00 0.04 0.00 0.00 61.00 63.97 1yaj s PRO 68 Cb -0.24 -3.21 -0.03 0.00 0.04 0.00 0.00 34.50 31.05 1yaj s PRO 68 CO 0.28 -0.49 0.37 -0.65 0.04 0.00 0.00 177.00 176.55 1yaj s GLN 69 N 1.06 3.45 0.38 4.56 -0.21 -1.26 -4.98 119.66 122.66 1yaj s GLN 69 Ca 0.66 -0.64 -0.27 0.00 0.02 0.00 0.00 55.36 55.13 1yaj s GLN 69 Cb -0.39 -2.87 -0.11 0.00 1.00 0.00 0.00 33.01 30.63 1yaj s GLN 69 CO 0.31 0.41 1.31 -2.30 -2.12 0.00 0.00 175.29 172.90 1yaj n PRO 70 N -1.21 2.12 -2.34 2.91 -0.02 -1.26 -1.36 135.00 133.83 1yaj n PRO 70 Ca -0.08 0.75 -0.37 0.00 -2.02 0.00 0.00 63.50 61.78 1yaj n PRO 70 Cb 0.56 -2.39 -0.02 0.00 -0.02 0.00 0.00 33.50 31.63 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 -1.14 2.99 0.45 3.55 0.00 -1.26 -4.08 121.76 122.27 1yaj s ALA 71 Ca 0.57 0.86 -0.22 0.00 0.00 0.00 0.00 51.96 53.16 1yaj s ALA 71 Cb -0.53 -3.35 -0.08 0.00 0.00 0.00 0.00 23.12 19.16 1yaj s ALA 71 CO 0.61 -0.53 1.11 -1.21 0.00 0.00 0.00 175.76 175.73 1yaj s GLU 72 N -2.70 3.85 0.27 0.00 0.41 -1.26 -4.89 118.70 114.37 1yaj s GLU 72 Ca 0.63 1.61 -0.29 0.00 -0.41 0.00 0.00 54.97 56.50 1yaj s GLU 72 Cb -0.26 -2.36 -0.09 0.00 -1.78 0.00 0.00 34.13 29.63 1yaj s GLU 72 CO 0.32 -0.44 1.22 -1.25 -0.49 0.00 0.00 175.26 174.62 1yaj s PRO 73 N -2.77 4.49 0.31 0.39 0.04 -1.26 -5.02 135.00 131.16 1yaj s PRO 73 Ca 0.63 1.99 0.06 0.00 0.04 0.00 0.00 61.00 63.72 1yaj s PRO 73 Cb -0.24 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.12 1yaj s PRO 73 CO 0.29 -0.04 0.42 1.67 0.04 0.00 0.00 177.00 179.39 1yaj s TRP 74 N -0.75 3.19 0.00 0.56 -2.14 -1.07 -5.05 118.94 113.68 1yaj s TRP 74 Ca 0.49 -0.17 0.00 0.00 2.66 0.00 0.00 56.10 59.08 1yaj s TRP 74 Cb -0.35 -1.86 0.00 0.00 -3.10 0.00 0.00 33.47 28.16 1yaj s TRP 74 CO 0.43 0.13 0.00 0.43 -2.66 0.00 0.00 176.95 175.29 1yaj n SER 75 N -1.55 0.00 -2.27 -2.66 7.64 -1.26 -4.65 113.62 108.87 1yaj n SER 75 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1yaj n SER 75 Cb 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 1yaj n SER 75 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1yaj n PHE 76 N -0.17 -3.40 -1.82 1.43 3.01 -1.26 -4.68 117.46 110.57 1yaj n PHE 76 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 1yaj n PHE 76 Cb 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.44 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 -0.95 3.01 -0.42 -4.37 1.01 -1.26 -4.56 120.40 112.86 1yaj s VAL 77 Ca 0.00 0.29 -0.21 0.00 0.00 0.00 0.00 61.98 62.06 1yaj s VAL 77 Cb 0.00 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 33.21 1yaj s VAL 77 CO 0.00 -0.01 0.67 -0.75 0.00 0.00 0.00 175.10 175.00 1yaj s LYS 78 N 3.44 3.42 0.17 2.72 2.20 -0.65 -4.89 119.74 126.15 1yaj s LYS 78 Ca 0.80 -0.20 -0.33 0.00 -0.36 0.00 0.00 55.97 55.88 1yaj s LYS 78 Cb -0.41 -3.91 -0.13 0.00 -1.51 0.00 0.00 37.83 31.88 1yaj s LYS 78 CO 0.35 -0.95 1.69 0.09 -0.36 0.00 0.00 175.35 176.18 1yaj n ASN 79 N 6.28 3.64 -2.85 1.43 4.13 -1.26 -1.72 115.26 124.90 1yaj n ASN 79 Ca -0.01 1.06 -0.26 0.00 1.68 0.00 0.00 54.58 57.05 1yaj n ASN 79 Cb 0.48 -1.51 -0.03 0.00 -1.54 0.00 0.00 39.78 37.19 1yaj n ASN 79 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1yaj n ALA 80 N 4.08 4.55 -2.36 5.41 0.00 0.90 -4.85 120.51 128.24 1yaj n ALA 80 Ca 0.17 -4.49 -0.16 0.00 0.00 0.00 0.00 53.44 48.96 1yaj n ALA 80 Cb 0.33 -0.71 0.03 0.00 0.00 0.00 0.00 19.45 19.10 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 -0.26 2.04 -3.60 0.00 -2.24 -1.25 -1.49 114.28 107.48 1yaj n THR 81 Ca 0.32 -3.84 -0.08 0.00 -2.27 0.00 0.00 64.05 58.18 1yaj n THR 81 Cb 0.48 -0.31 -0.09 0.00 -2.10 0.00 0.00 70.33 68.31 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 -3.63 -0.22 -0.42 3.42 0.01 -1.26 -5.02 113.70 106.58 1yaj s SER 82 Ca 0.42 0.89 -0.44 0.00 1.31 0.00 0.00 55.95 58.13 1yaj s SER 82 Cb 0.39 1.35 -0.18 0.00 0.21 0.00 0.00 66.02 67.79 1yaj s SER 82 CO -0.01 -0.24 1.77 -1.22 0.41 0.00 0.00 173.24 173.95 1yaj n TYR 83 N 5.39 1.75 -0.57 2.43 4.01 -1.26 -4.46 117.16 124.45 1yaj n TYR 83 Ca -0.08 0.84 -0.30 0.00 -0.16 0.00 0.00 57.90 58.21 1yaj n TYR 83 Cb 0.50 -2.33 0.22 0.00 -0.31 0.00 0.00 39.34 37.41 1yaj n TYR 83 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1yaj n PRO 84 N 5.26 -1.89 -1.51 -0.72 -0.04 -1.26 -4.97 135.00 129.87 1yaj n PRO 84 Ca 0.34 -0.52 -0.31 0.00 -0.04 0.00 0.00 63.50 62.97 1yaj n PRO 84 Cb 0.02 -2.04 0.07 0.00 -0.04 0.00 0.00 33.50 31.50 1yaj n PRO 84 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1yaj s PRO 85 N -4.11 2.64 -0.08 0.54 0.02 -1.26 -4.88 135.00 127.87 1yaj s PRO 85 Ca 0.64 0.93 -0.02 0.00 0.02 0.00 0.00 61.00 62.57 1yaj s PRO 85 Cb -0.21 -1.96 -0.03 0.00 0.02 0.00 0.00 34.50 32.31 1yaj s PRO 85 CO 0.65 -1.31 0.02 0.00 -0.33 0.00 0.00 177.00 176.03 1yaj s MET 86 N -5.04 3.01 0.93 5.54 0.23 -1.14 -4.75 119.30 118.08 1yaj s MET 86 Ca 0.59 -0.40 -0.13 0.00 -1.03 0.00 0.00 55.69 54.71 1yaj s MET 86 Cb -0.15 -2.83 0.02 0.00 -1.53 0.00 0.00 34.83 30.34 1yaj s MET 86 CO 0.55 0.70 0.34 0.00 -2.03 0.00 0.00 175.02 174.58 1yaj n THR 88 N -3.39 3.20 -3.60 0.00 -1.04 -1.23 -4.59 114.28 103.63 1yaj n THR 88 Ca 0.06 -0.50 0.01 0.00 -2.04 0.00 0.00 64.05 61.58 1yaj n THR 88 Cb 0.53 -1.73 -0.01 0.00 -1.82 0.00 0.00 70.33 67.30 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 -2.60 0.22 -0.16 -2.82 -2.07 -1.26 -4.70 119.66 106.26 1yaj s GLN 89 Ca 0.66 -0.11 -0.32 0.00 -1.82 0.00 0.00 55.36 53.77 1yaj s GLN 89 Cb -0.44 0.08 -0.09 0.00 -1.09 0.00 0.00 33.01 31.47 1yaj s GLN 89 CO 0.54 -0.10 2.06 -3.47 -1.32 0.00 0.00 175.29 173.00 1yaj n ASP 90 N -0.36 3.27 -0.36 12.60 -0.08 -1.26 -4.86 116.55 125.50 1yaj n ASP 90 Ca -0.05 0.63 0.06 0.00 -1.51 0.00 0.00 54.79 53.92 1yaj n ASP 90 Cb 0.61 -1.43 0.23 0.00 2.34 0.00 0.00 41.12 42.87 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 11.75 0.99 0.68 -0.67 0.13 -1.99 0.30 132.00 143.21 1yaj h PRO 91 Ca -0.43 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 1yaj h PRO 91 Cb 1.27 -0.22 0.01 0.00 0.13 0.00 0.00 31.00 32.18 1yaj h PRO 91 CO 0.96 0.66 -0.33 0.87 -0.23 0.00 0.00 178.00 179.93 1yaj h LYS 92 N 1.02 -0.89 -0.52 0.86 1.57 -1.99 -2.34 116.57 114.29 1yaj h LYS 92 Ca 0.48 0.06 0.04 0.00 -1.87 0.00 0.00 60.65 59.36 1yaj h LYS 92 Cb 0.43 0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.90 1yaj h LYS 92 CO -0.25 -0.59 0.28 0.00 -0.57 0.00 0.00 179.45 178.32 1yaj h ALA 93 N -1.46 0.66 0.00 3.86 0.00 -1.95 0.75 119.26 121.13 1yaj h ALA 93 Ca -0.09 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1yaj h ALA 93 Cb 0.70 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1yaj h ALA 93 CO 0.15 -0.04 -0.02 0.78 0.00 0.00 0.00 179.25 180.12 1yaj h GLY 94 N 0.55 0.00 0.41 0.00 0.00 -0.43 -1.12 103.07 102.48 1yaj h GLY 94 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.27 1yaj h GLY 94 CO -0.13 0.00 -1.46 -1.61 0.00 0.00 0.00 176.54 173.33 1yaj h GLN 95 N 0.00 0.18 -0.51 4.80 4.15 -0.63 -3.31 115.11 119.79 1yaj h GLN 95 Ca -0.00 -0.31 0.10 0.00 0.77 0.00 0.00 58.65 59.21 1yaj h GLN 95 Cb 0.13 0.11 -0.08 0.00 0.21 0.00 0.00 27.48 27.85 1yaj h GLN 95 CO 0.00 1.15 0.05 1.25 -1.93 0.00 0.00 178.83 179.35 1yaj h LEU 96 N -0.41 -0.12 -0.30 -2.39 5.85 -0.01 -1.01 115.31 116.92 1yaj h LEU 96 Ca -0.33 0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.55 1yaj h LEU 96 Cb 1.69 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 42.84 1yaj h LEU 96 CO -0.00 -0.03 -0.01 0.25 -0.34 0.00 0.00 178.44 178.31 1yaj h LEU 97 N 0.17 -0.14 -0.97 2.25 5.85 -1.39 -1.44 115.31 119.63 1yaj h LEU 97 Ca 0.26 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 59.04 1yaj h LEU 97 Cb 0.38 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 1yaj h LEU 97 CO -0.39 -0.04 0.54 -1.28 -0.34 0.00 0.00 178.44 176.93 1yaj h SER 98 N 0.08 1.11 0.66 1.25 0.87 -1.49 -1.23 113.55 114.79 1yaj h SER 98 Ca 0.15 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1yaj h SER 98 Cb 0.20 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1yaj h SER 98 CO -0.25 0.86 0.00 -0.33 -0.53 0.00 0.00 176.83 176.57 1yaj h GLU 99 N 1.26 0.00 -0.01 2.24 5.08 -0.26 -1.39 114.58 121.51 1yaj h GLU 99 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1yaj h GLU 99 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1yaj h GLU 99 CO -0.06 0.00 -0.33 1.28 -1.00 0.00 0.00 179.01 178.90 1yaj n LEU 100 N -2.42 1.08 -0.01 1.33 4.77 -0.55 -4.62 117.00 116.58 1yaj n LEU 100 Ca 0.01 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 1yaj n LEU 100 Cb 0.21 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 1yaj n LEU 100 CO 0.20 0.22 -0.60 0.49 -1.33 0.00 0.00 177.39 176.37 1yaj n PHE 101 N -0.54 0.00 -1.59 -1.77 3.01 -0.71 -4.96 117.46 110.90 1yaj n PHE 101 Ca 0.04 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.11 1yaj n PHE 101 Cb 0.22 -0.17 0.04 0.00 -0.01 0.00 0.00 39.48 39.56 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 -1.92 3.04 -0.39 4.37 5.66 -0.53 -4.85 114.28 119.65 1yaj n THR 102 Ca -0.04 -0.50 0.03 0.00 -3.05 0.00 0.00 64.05 60.49 1yaj n THR 102 Cb 0.39 -1.08 0.04 0.00 -1.55 0.00 0.00 70.33 68.13 1yaj n THR 102 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1yaj n ASN 103 N -0.14 2.00 -4.86 1.09 6.94 -1.26 -5.04 115.26 114.00 1yaj n ASN 103 Ca 0.12 -2.29 -0.21 0.00 -0.02 0.00 0.00 54.58 52.17 1yaj n ASN 103 Cb 0.45 -0.13 -0.04 0.00 -2.36 0.00 0.00 39.78 37.70 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 -1.52 2.75 0.00 -3.83 1.70 -1.26 -4.09 118.95 112.71 1yaj s ARG 104 Ca 0.10 -1.27 0.00 0.00 -0.47 0.00 0.00 55.73 54.09 1yaj s ARG 104 Cb 0.08 -2.49 0.00 0.00 -0.57 0.00 0.00 34.95 31.97 1yaj s ARG 104 CO 0.01 0.11 0.40 0.36 -1.08 0.00 0.00 175.30 175.10 1yaj n LYS 105 N -1.37 0.00 -3.25 3.89 2.85 -1.26 -4.72 118.16 114.29 1yaj n LYS 105 Ca -0.02 0.29 -0.34 0.00 -1.05 0.00 0.00 58.31 57.18 1yaj n LYS 105 Cb 0.60 -0.90 -0.06 0.00 -0.65 0.00 0.00 35.03 34.02 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 -0.80 4.02 0.07 -1.58 -1.05 -1.26 -5.02 118.70 113.07 1yaj s GLU 106 Ca 0.00 0.59 -0.31 0.00 -0.15 0.00 0.00 54.97 55.10 1yaj s GLU 106 Cb 0.00 -2.75 -0.06 0.00 -0.44 0.00 0.00 34.13 30.88 1yaj s GLU 106 CO 0.00 0.35 1.22 -0.80 0.95 0.00 0.00 175.26 176.98 1yaj s ASN 107 N -1.95 7.05 -0.53 0.83 0.01 -1.26 -4.97 114.94 114.11 1yaj s ASN 107 Ca 0.45 2.06 -0.26 0.00 -0.71 0.00 0.00 52.86 54.39 1yaj s ASN 107 Cb -0.14 -2.58 0.03 0.00 0.41 0.00 0.00 41.25 38.98 1yaj s ASN 107 CO 0.20 -0.49 1.04 -0.63 -1.51 0.00 0.00 177.10 175.71 1yaj s ILE 108 N 1.03 4.26 0.30 0.60 -1.09 -1.26 -5.01 121.20 120.03 1yaj s ILE 108 Ca 0.59 0.70 -0.29 0.00 -2.23 0.00 0.00 60.65 59.42 1yaj s ILE 108 Cb -0.30 -4.59 -0.10 0.00 -1.58 0.00 0.00 42.46 35.89 1yaj s ILE 108 CO 0.30 -1.11 1.22 -2.16 -1.23 0.00 0.00 174.94 171.95 1yaj s PRO 109 N 4.30 4.48 0.10 2.79 0.04 -1.26 -5.03 135.00 140.42 1yaj s PRO 109 Ca 0.38 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.47 1yaj s PRO 109 Cb -0.10 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.28 1yaj s PRO 109 CO 0.24 -0.02 -0.07 -0.51 0.04 0.00 0.00 177.00 176.69 1yaj s LEU 110 N -1.59 2.49 -0.16 -3.56 1.43 -1.26 -5.10 118.68 110.93 1yaj s LEU 110 Ca 0.47 -0.96 -0.03 0.00 -1.03 0.00 0.00 54.13 52.58 1yaj s LEU 110 Cb -0.36 -0.12 -0.02 0.00 0.03 0.00 0.00 46.19 45.72 1yaj s LEU 110 CO 0.47 -0.42 -0.06 -0.75 0.23 0.00 0.00 176.35 175.82 1yaj s LYS 111 N -3.59 3.55 0.62 1.70 2.20 -1.26 -4.97 119.74 117.98 1yaj s LYS 111 Ca 0.10 -0.58 -0.16 0.00 -0.36 0.00 0.00 55.97 54.97 1yaj s LYS 111 Cb 0.03 -2.85 -0.02 0.00 -1.51 0.00 0.00 37.83 33.48 1yaj s LYS 111 CO -0.04 0.17 1.11 -0.51 -0.36 0.00 0.00 175.35 175.72 1yaj s LEU 112 N 0.53 3.51 -0.21 5.43 1.43 -1.26 -2.89 118.68 125.21 1yaj s LEU 112 Ca -0.05 2.02 -0.29 0.00 -1.03 0.00 0.00 54.13 54.79 1yaj s LEU 112 Cb -0.15 -4.56 0.15 0.00 0.03 0.00 0.00 46.19 41.66 1yaj s LEU 112 CO 0.03 -1.45 1.11 -0.55 0.23 0.00 0.00 176.35 175.72 1yaj s SER 113 N -2.38 -0.29 0.30 2.29 0.15 -0.86 -4.87 113.70 108.05 1yaj s SER 113 Ca 0.68 0.37 0.03 0.00 0.70 0.00 0.00 55.95 57.73 1yaj s SER 113 Cb -0.21 0.31 0.46 0.00 -1.71 0.00 0.00 66.02 64.88 1yaj s SER 113 CO 0.37 -0.22 1.76 -0.33 1.20 0.00 0.00 173.24 176.01 1yaj h GLU 114 N 2.72 0.48 -6.14 5.44 5.08 -1.94 -3.27 114.58 116.95 1yaj h GLU 114 Ca -0.18 -0.16 -0.55 0.00 -1.00 0.00 0.00 59.36 57.47 1yaj h GLU 114 Cb 1.17 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 30.30 1yaj h GLU 114 CO 0.25 0.65 1.28 0.34 -1.00 0.00 0.00 179.01 180.54 1yaj s ASP 115 N -6.80 6.20 0.00 1.42 2.15 -1.26 -4.58 116.67 113.80 1yaj s ASP 115 Ca -0.07 -0.97 0.00 0.00 0.43 0.00 0.00 52.55 51.94 1yaj s ASP 115 Cb 0.14 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1yaj s ASP 115 CO 0.78 -1.78 0.72 0.00 -0.17 0.00 0.00 175.17 174.72 1yaj n LEU 117 N 0.00 6.29 -4.42 0.00 4.77 -1.26 -4.71 117.00 117.67 1yaj n LEU 117 Ca 0.00 -4.12 -0.21 0.00 -0.03 0.00 0.00 56.01 51.65 1yaj n LEU 117 Cb 0.59 -1.67 -0.10 0.00 -2.33 0.00 0.00 43.42 39.90 1yaj n LEU 117 CO 0.00 0.85 -0.34 -0.31 -1.33 0.00 0.00 177.39 176.27 1yaj s TYR 118 N 3.27 1.89 -0.02 -1.77 1.51 -1.26 -2.66 117.35 118.31 1yaj s TYR 118 Ca 0.48 -0.79 -0.03 0.00 -1.01 0.00 0.00 57.07 55.72 1yaj s TYR 118 Cb 0.11 -1.13 0.00 0.00 -0.11 0.00 0.00 41.96 40.83 1yaj s TYR 118 CO -0.04 0.17 0.07 -0.48 -1.11 0.00 0.00 175.55 174.16 1yaj s LEU 119 N -3.43 1.76 0.17 -1.29 0.05 -0.65 -2.36 118.68 112.93 1yaj s LEU 119 Ca 0.31 0.07 -0.03 0.00 0.05 0.00 0.00 54.13 54.53 1yaj s LEU 119 Cb 0.05 0.26 -0.05 0.00 -2.05 0.00 0.00 46.19 44.41 1yaj s LEU 119 CO 0.12 -0.07 0.38 0.20 -0.55 0.00 0.00 176.35 176.43 1yaj s ASN 120 N -0.18 6.43 -0.05 1.48 0.01 -0.50 -2.81 114.94 119.32 1yaj s ASN 120 Ca -0.02 0.50 0.03 0.00 -0.71 0.00 0.00 52.86 52.66 1yaj s ASN 120 Cb -0.02 -2.05 0.00 0.00 0.41 0.00 0.00 41.25 39.59 1yaj s ASN 120 CO 0.00 0.01 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.82 1yaj s ILE 121 N -1.76 1.31 -0.53 0.60 1.01 -0.06 -1.00 121.20 120.76 1yaj s ILE 121 Ca 0.40 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.47 1yaj s ILE 121 Cb -0.12 -1.15 0.14 0.00 0.01 0.00 0.00 42.46 41.35 1yaj s ILE 121 CO 0.27 0.39 0.30 -0.31 0.00 0.00 0.00 174.94 175.59 1yaj s TYR 122 N 0.29 2.83 -0.23 3.97 1.51 0.14 -1.93 117.35 123.93 1yaj s TYR 122 Ca -0.09 -2.96 -0.07 0.00 -1.01 0.00 0.00 57.07 52.94 1yaj s TYR 122 Cb -0.13 -2.45 -0.03 0.00 -0.11 0.00 0.00 41.96 39.23 1yaj s TYR 122 CO 0.03 -0.72 0.06 -0.08 -1.11 0.00 0.00 175.55 173.74 1yaj s THR 123 N -0.33 4.37 -2.06 -0.71 -1.32 -0.98 -1.44 115.64 113.17 1yaj s THR 123 Ca 0.19 -0.16 0.13 0.00 -1.21 0.00 0.00 61.69 60.64 1yaj s THR 123 Cb -0.20 -3.03 0.34 0.00 -1.51 0.00 0.00 72.50 68.10 1yaj s THR 123 CO -0.04 0.36 1.32 -0.81 -2.21 0.00 0.00 174.62 173.24 1yaj n PRO 124 N 4.63 1.76 -1.45 7.08 -0.04 -1.26 -2.23 135.00 143.49 1yaj n PRO 124 Ca -0.16 -1.18 -0.31 0.00 -0.04 0.00 0.00 63.50 61.80 1yaj n PRO 124 Cb 0.52 -1.29 0.07 0.00 -0.04 0.00 0.00 33.50 32.76 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 -1.60 2.41 -0.91 0.55 0.00 -1.26 -4.94 121.76 116.01 1yaj s ALA 125 Ca 0.25 0.28 -0.18 0.00 0.00 0.00 0.00 51.96 52.31 1yaj s ALA 125 Cb 0.13 -3.26 0.14 0.00 0.00 0.00 0.00 23.12 20.14 1yaj s ALA 125 CO 0.18 -1.51 1.06 0.34 0.00 0.00 0.00 175.76 175.82 1yaj s ASP 126 N -3.31 6.64 0.59 0.00 2.15 -1.26 -4.83 116.67 116.65 1yaj s ASP 126 Ca 0.62 -2.13 0.30 0.00 0.43 0.00 0.00 52.55 51.76 1yaj s ASP 126 Cb -0.17 -2.37 1.34 0.00 -0.30 0.00 0.00 42.92 41.42 1yaj s ASP 126 CO 0.52 -0.99 1.70 -0.07 -0.17 0.00 0.00 175.17 176.17 1yaj h LEU 127 N 9.97 0.00 -0.51 -1.34 3.38 -1.95 -1.93 115.31 122.94 1yaj h LEU 127 Ca 0.14 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.18 1yaj h LEU 127 Cb 1.03 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.72 1yaj h LEU 127 CO 1.05 0.00 0.18 0.71 0.09 0.00 0.00 178.44 180.46 1yaj h THR 128 N 0.00 0.81 -1.19 0.22 1.35 -2.00 -3.44 112.91 108.67 1yaj h THR 128 Ca 0.36 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 66.10 1yaj h THR 128 Cb 1.91 0.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 1yaj h THR 128 CO -0.00 0.06 0.00 0.29 -0.25 0.00 0.00 175.52 175.62 1yaj n LYS 129 N -5.01 3.60 -4.00 4.72 5.02 -0.73 -5.10 118.16 116.67 1yaj n LYS 129 Ca 0.06 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.01 1yaj n LYS 129 Cb 0.21 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.08 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 3.16 2.69 0.07 1.97 2.20 -1.26 -4.98 119.74 123.59 1yaj s LYS 130 Ca 0.00 -1.07 0.07 0.00 -0.36 0.00 0.00 55.97 54.62 1yaj s LYS 130 Cb 0.00 -2.92 -0.03 0.00 -1.51 0.00 0.00 37.83 33.37 1yaj s LYS 130 CO 0.00 -0.43 -0.20 -0.80 -0.36 0.00 0.00 175.35 173.56 1yaj s ASN 131 N 1.26 2.38 -0.43 1.43 0.02 -1.26 -5.06 114.94 113.28 1yaj s ASN 131 Ca -0.02 -0.58 0.10 0.00 -1.02 0.00 0.00 52.86 51.34 1yaj s ASN 131 Cb -0.17 -0.16 0.38 0.00 0.02 0.00 0.00 41.25 41.32 1yaj s ASN 131 CO -0.05 0.10 0.91 0.54 0.02 0.00 0.00 177.10 178.61 1yaj n ARG 132 N 1.53 2.11 -1.81 -0.60 3.00 -1.01 -3.82 116.66 116.07 1yaj n ARG 132 Ca -0.18 -3.99 -0.34 0.00 -0.01 0.00 0.00 57.85 53.33 1yaj n ARG 132 Cb 0.54 -1.86 0.05 0.00 0.00 0.00 0.00 32.46 31.18 1yaj n ARG 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1yaj s LEU 133 N -3.08 3.47 0.61 0.55 1.43 0.26 -4.10 118.68 117.82 1yaj s LEU 133 Ca 0.41 2.15 -0.18 0.00 -1.03 0.00 0.00 54.13 55.48 1yaj s LEU 133 Cb 0.36 -4.57 -0.03 0.00 0.03 0.00 0.00 46.19 41.99 1yaj s LEU 133 CO -0.09 -1.69 1.21 -2.16 0.23 0.00 0.00 176.35 173.85 1yaj s PRO 134 N -3.83 2.86 -0.16 1.29 0.04 -1.26 -0.00 135.00 133.94 1yaj s PRO 134 Ca 0.71 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.58 1yaj s PRO 134 Cb -0.24 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1yaj s PRO 134 CO 0.39 -1.29 -0.15 0.08 0.04 0.00 0.00 177.00 176.07 1yaj s VAL 135 N -1.63 2.64 -0.38 -0.36 1.01 -0.94 -0.87 120.40 119.88 1yaj s VAL 135 Ca 0.77 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.90 1yaj s VAL 135 Cb -0.31 -2.12 0.05 0.00 0.00 0.00 0.00 36.38 34.01 1yaj s VAL 135 CO 0.35 0.51 0.18 -0.04 0.00 0.00 0.00 175.10 176.10 1yaj s MET 136 N 0.93 2.62 -0.32 2.72 -1.94 0.39 -0.16 119.30 123.55 1yaj s MET 136 Ca -0.03 -1.29 -0.20 0.00 -1.71 0.00 0.00 55.69 52.46 1yaj s MET 136 Cb -0.15 -3.63 -0.01 0.00 2.01 0.00 0.00 34.83 33.05 1yaj s MET 136 CO -0.02 -0.79 0.60 0.08 -0.01 0.00 0.00 175.02 174.88 1yaj s VAL 137 N 1.43 4.95 -0.27 -6.03 1.01 0.43 -0.75 120.40 121.17 1yaj s VAL 137 Ca 0.01 0.73 -0.11 0.00 0.00 0.00 0.00 61.98 62.61 1yaj s VAL 137 Cb -0.21 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 1yaj s VAL 137 CO 0.03 -0.16 0.20 0.86 0.00 0.00 0.00 175.10 176.02 1yaj s TRP 138 N 2.57 3.24 -0.34 5.22 -0.11 0.46 -0.70 118.94 129.27 1yaj s TRP 138 Ca 0.24 0.15 -0.14 0.00 1.22 0.00 0.00 56.10 57.57 1yaj s TRP 138 Cb -0.15 -2.37 -0.01 0.00 -1.50 0.00 0.00 33.47 29.43 1yaj s TRP 138 CO 0.12 -0.13 0.30 0.42 -4.62 0.00 0.00 176.95 173.05 1yaj s ILE 139 N 1.66 5.23 1.06 5.86 1.01 0.17 -3.34 121.20 132.85 1yaj s ILE 139 Ca 0.08 -0.09 -0.12 0.00 0.00 0.00 0.00 60.65 60.52 1yaj s ILE 139 Cb -0.16 -3.77 0.23 0.00 0.01 0.00 0.00 42.46 38.77 1yaj s ILE 139 CO 0.10 -0.05 1.07 -1.38 0.00 0.00 0.00 174.94 174.67 1yaj s HIS 140 N 1.86 1.62 0.00 3.97 -3.43 -1.26 -3.40 115.29 114.66 1yaj s HIS 140 Ca 0.09 1.28 0.00 0.00 -0.80 0.00 0.00 55.06 55.63 1yaj s HIS 140 Cb -0.17 -3.17 0.00 0.00 -1.43 0.00 0.00 32.58 27.81 1yaj s HIS 140 CO 0.11 -3.37 0.00 0.41 -2.00 0.00 0.00 174.74 169.89 1yaj n GLY 141 N 0.19 6.27 0.00 -1.38 0.00 -1.25 -3.57 105.19 105.44 1yaj n GLY 141 Ca 0.05 -2.04 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 4.50 0.82 2.46 -0.02 0.00 -1.26 -4.34 105.19 107.35 1yaj n GLY 142 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1yaj n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yaj n GLY 143 N 0.00 1.73 2.78 -0.02 0.00 -1.26 -2.09 105.19 106.33 1yaj n GLY 143 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.17 0.12 -0.08 0.99 4.77 -1.26 -4.80 117.00 114.58 1yaj n LEU 144 Ca -0.18 0.16 -0.11 0.00 -0.03 0.00 0.00 56.01 55.85 1yaj n LEU 144 Cb 0.61 -2.42 -0.07 0.00 -2.33 0.00 0.00 43.42 39.21 1yaj n LEU 144 CO 0.28 -0.93 -1.01 0.23 -1.33 0.00 0.00 177.39 174.62 1yaj n MET 145 N -0.44 0.39 -4.44 3.23 2.81 -0.89 -0.45 117.12 117.33 1yaj n MET 145 Ca -0.06 0.09 -0.22 0.00 -1.81 0.00 0.00 57.70 55.70 1yaj n MET 145 Cb 0.51 -1.30 -0.09 0.00 -0.71 0.00 0.00 33.22 31.62 1yaj n MET 145 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1yaj s VAL 146 N -2.31 0.73 0.00 2.03 -7.23 -1.05 -4.21 120.40 108.36 1yaj s VAL 146 Ca -0.21 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 57.96 1yaj s VAL 146 Cb 0.06 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.44 1yaj s VAL 146 CO 0.36 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.76 1yaj n GLY 147 N -0.72 3.53 3.32 2.32 0.00 -1.26 -4.25 105.19 108.12 1yaj n GLY 147 Ca -0.03 -1.76 -0.14 0.00 0.00 0.00 0.00 46.02 44.10 1yaj n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj s ALA 148 N -2.31 -1.04 0.18 4.61 0.00 -1.26 -4.63 121.76 117.31 1yaj s ALA 148 Ca 0.00 0.85 0.09 0.00 0.00 0.00 0.00 51.96 52.90 1yaj s ALA 148 Cb 0.00 -0.27 0.09 0.00 0.00 0.00 0.00 23.12 22.94 1yaj s ALA 148 CO 0.00 -0.25 1.46 0.00 0.00 0.00 0.00 175.76 176.96 1yaj h ALA 149 N 4.43 0.67 0.00 0.00 0.00 -1.87 -2.98 119.26 119.51 1yaj h ALA 149 Ca -0.28 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 53.92 1yaj h ALA 149 Cb 1.17 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1yaj h ALA 149 CO 0.33 0.98 0.00 -1.13 0.00 0.00 0.00 179.25 179.42 1yaj n SER 150 N -3.56 0.00 -0.01 0.00 3.41 -1.26 -2.48 113.62 109.72 1yaj n SER 150 Ca -0.00 0.10 -0.08 0.00 -0.26 0.00 0.00 58.87 58.63 1yaj n SER 150 Cb 0.77 -0.31 0.09 0.00 -0.26 0.00 0.00 64.21 64.49 1yaj n SER 150 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1yaj h THR 151 N 0.00 1.30 -3.14 6.66 2.02 -1.92 -3.41 112.91 114.43 1yaj h THR 151 Ca 0.00 -1.62 -0.66 0.00 0.77 0.00 0.00 66.41 64.90 1yaj h THR 151 Cb 0.17 1.59 -0.16 0.00 -1.74 0.00 0.00 68.15 68.01 1yaj h THR 151 CO 0.00 0.51 0.24 -0.31 0.37 0.00 0.00 175.52 176.33 1yaj s TYR 152 N -4.20 2.94 0.09 3.16 1.51 -1.04 -4.23 117.35 115.58 1yaj s TYR 152 Ca -0.08 -0.45 -0.31 0.00 -1.01 0.00 0.00 57.07 55.23 1yaj s TYR 152 Cb 0.12 -3.81 -0.07 0.00 -0.11 0.00 0.00 41.96 38.09 1yaj s TYR 152 CO 0.83 -1.21 1.29 0.34 -1.11 0.00 0.00 175.55 175.69 1yaj s ASP 153 N 2.94 6.96 -0.17 2.29 3.68 -1.26 -4.95 116.67 126.15 1yaj s ASP 153 Ca 0.19 2.17 0.16 0.00 2.13 0.00 0.00 52.55 57.20 1yaj s ASP 153 Cb -0.18 -2.58 0.57 0.00 -1.45 0.00 0.00 42.92 39.28 1yaj s ASP 153 CO 0.13 -0.55 1.47 0.61 0.13 0.00 0.00 175.17 176.95 1yaj n GLY 154 N 3.33 3.73 0.19 2.66 0.00 -1.26 -4.68 105.19 109.15 1yaj n GLY 154 Ca 0.10 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 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 2.25 -0.32 0.00 0.99 5.85 -1.94 -3.02 115.31 119.12 1yaj h LEU 155 Ca 0.00 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1yaj h LEU 155 Cb 1.47 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.58 1yaj h LEU 155 CO 0.25 0.09 -0.03 0.00 -0.34 0.00 0.00 178.44 178.41 1yaj h ALA 156 N -0.29 -0.54 -0.36 1.25 0.00 -1.88 -2.24 119.26 115.20 1yaj h ALA 156 Ca -0.04 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1yaj h ALA 156 Cb 0.51 0.52 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 1yaj h ALA 156 CO 0.06 -0.55 -0.51 1.25 0.00 0.00 0.00 179.25 179.51 1yaj h LEU 157 N -0.04 -1.69 -0.99 0.00 5.85 -1.86 0.36 115.31 116.94 1yaj h LEU 157 Ca 0.00 0.22 0.35 0.00 0.84 0.00 0.00 57.88 59.29 1yaj h LEU 157 Cb 0.05 0.69 -0.16 0.00 0.37 0.00 0.00 40.66 41.61 1yaj h LEU 157 CO -0.02 -0.37 0.51 0.00 -0.34 0.00 0.00 178.44 178.22 1yaj h ALA 158 N -0.18 1.94 0.06 1.25 0.00 -1.52 -0.81 119.26 120.00 1yaj h ALA 158 Ca 0.06 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1yaj h ALA 158 Cb 0.54 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1yaj h ALA 158 CO -0.53 -0.69 -0.03 0.00 0.00 0.00 0.00 179.25 177.99 1yaj h ALA 159 N 1.90 -0.08 -0.98 0.00 0.00 -0.24 -2.72 119.26 117.14 1yaj h ALA 159 Ca 0.75 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.44 1yaj h ALA 159 Cb 1.80 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.57 1yaj h ALA 159 CO -0.68 -0.11 0.65 0.45 0.00 0.00 0.00 179.25 179.56 1yaj h HIS 160 N -0.96 1.23 -0.35 0.00 -0.00 0.30 -3.16 115.15 112.21 1yaj h HIS 160 Ca -0.01 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 1yaj h HIS 160 Cb 0.50 -0.42 0.00 0.00 -0.00 0.00 0.00 27.41 27.50 1yaj h HIS 160 CO 0.12 0.77 0.00 0.39 -0.00 0.00 0.00 177.93 179.21 1yaj n GLU 161 N -4.40 2.35 -3.58 2.45 -0.58 -0.38 -5.02 120.64 111.48 1yaj n GLU 161 Ca 0.12 -2.03 -0.18 0.00 -0.42 0.00 0.00 57.16 54.65 1yaj n GLU 161 Cb 0.02 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 1yaj n GLU 161 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1yaj n ASN 162 N 0.90 -5.72 -3.78 1.62 4.05 -1.07 -5.01 115.26 106.25 1yaj n ASN 162 Ca 0.14 -0.71 -0.13 0.00 0.45 0.00 0.00 54.58 54.33 1yaj n ASN 162 Cb 0.46 -2.78 -0.09 0.00 1.23 0.00 0.00 39.78 38.60 1yaj n ASN 162 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1yaj s VAL 163 N -3.01 0.06 -0.24 3.44 -7.23 -1.05 -4.61 120.40 107.75 1yaj s VAL 163 Ca 0.02 -0.46 -0.29 0.00 -1.81 0.00 0.00 61.98 59.43 1yaj s VAL 163 Cb -0.01 -0.56 0.01 0.00 0.56 0.00 0.00 36.38 36.38 1yaj s VAL 163 CO 0.85 -0.25 1.11 -0.69 -0.31 0.00 0.00 175.10 175.81 1yaj s VAL 164 N -1.17 4.52 -0.28 1.32 1.01 -0.05 -4.21 120.40 121.52 1yaj s VAL 164 Ca -0.12 1.81 -0.10 0.00 0.00 0.00 0.00 61.98 63.56 1yaj s VAL 164 Cb -0.05 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 1yaj s VAL 164 CO 0.03 -0.27 0.17 -0.69 0.00 0.00 0.00 175.10 174.35 1yaj s VAL 165 N 3.46 5.07 -0.08 2.92 1.01 -0.52 -0.46 120.40 131.79 1yaj s VAL 165 Ca 0.47 0.02 -0.00 0.00 0.00 0.00 0.00 61.98 62.47 1yaj s VAL 165 Cb -0.16 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 1yaj s VAL 165 CO 0.11 0.22 -0.06 -0.69 0.00 0.00 0.00 175.10 174.69 1yaj s VAL 166 N 1.72 3.79 -0.40 2.92 1.01 0.07 -0.69 120.40 128.83 1yaj s VAL 166 Ca 0.07 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.64 1yaj s VAL 166 Cb -0.16 -2.57 0.11 0.00 0.00 0.00 0.00 36.38 33.76 1yaj s VAL 166 CO 0.09 0.59 0.13 0.42 0.00 0.00 0.00 175.10 176.33 1yaj s THR 167 N -0.66 2.14 0.43 3.92 -4.23 -0.17 -0.40 115.64 116.67 1yaj s THR 167 Ca 0.10 -2.56 -0.05 0.00 -1.18 0.00 0.00 61.69 58.00 1yaj s THR 167 Cb -0.11 -2.55 -0.04 0.00 1.34 0.00 0.00 72.50 71.13 1yaj s THR 167 CO 0.02 -0.69 0.73 0.27 -0.54 0.00 0.00 174.62 174.40 1yaj s ILE 168 N 0.57 4.92 0.34 2.99 -4.36 -1.21 -1.41 121.20 123.04 1yaj s ILE 168 Ca 0.13 0.18 0.09 0.00 -0.26 0.00 0.00 60.65 60.79 1yaj s ILE 168 Cb -0.21 -3.83 -0.06 0.00 1.25 0.00 0.00 42.46 39.61 1yaj s ILE 168 CO -0.07 -0.70 -0.02 -1.10 0.24 0.00 0.00 174.94 173.29 1yaj s GLN 169 N -4.41 2.01 -0.11 0.37 -0.21 -0.99 -4.34 119.66 111.98 1yaj s GLN 169 Ca 0.47 -1.78 -0.22 0.00 0.02 0.00 0.00 55.36 53.85 1yaj s GLN 169 Cb -0.10 -1.88 0.05 0.00 1.00 0.00 0.00 33.01 32.08 1yaj s GLN 169 CO 0.40 0.15 0.52 1.52 -2.12 0.00 0.00 175.29 175.76 1yaj s TYR 170 N -2.53 -0.51 0.50 0.91 1.13 -1.26 -4.72 117.35 110.86 1yaj s TYR 170 Ca 0.34 1.04 -0.22 0.00 -1.41 0.00 0.00 57.07 56.82 1yaj s TYR 170 Cb 0.00 0.24 -0.08 0.00 -1.10 0.00 0.00 41.96 41.02 1yaj s TYR 170 CO 0.19 -0.42 1.00 0.54 -2.51 0.00 0.00 175.55 174.35 1yaj n ARG 171 N 1.80 1.21 -4.65 -3.49 1.74 -1.26 -4.91 116.66 107.10 1yaj n ARG 171 Ca -0.17 0.44 -0.30 0.00 -0.77 0.00 0.00 57.85 57.05 1yaj n ARG 171 Cb 0.56 -2.11 -0.07 0.00 -1.02 0.00 0.00 32.46 29.81 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 -1.17 2.11 0.00 0.55 1.43 -1.26 -4.33 118.68 116.01 1yaj s LEU 172 Ca 0.68 -1.71 0.00 0.00 -1.03 0.00 0.00 54.13 52.07 1yaj s LEU 172 Cb -0.49 -0.39 0.00 0.00 0.03 0.00 0.00 46.19 45.34 1yaj s LEU 172 CO 0.53 -0.94 0.00 0.61 0.23 0.00 0.00 176.35 176.78 1yaj n GLY 173 N -1.12 0.81 0.33 -3.19 0.00 0.40 -1.10 105.19 101.31 1yaj n GLY 173 Ca -0.14 -0.65 0.18 0.00 0.00 0.00 0.00 46.02 45.41 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 0.43 -0.94 -0.61 2.04 -1.94 -1.01 117.51 115.47 1yaj h ILE 174 Ca 0.00 -0.15 0.07 0.00 1.00 0.00 0.00 64.86 65.78 1yaj h ILE 174 Cb 0.00 -0.03 -0.06 0.00 -0.74 0.00 0.00 36.82 35.98 1yaj h ILE 174 CO 0.00 0.08 0.61 -0.50 0.00 0.00 0.00 178.15 178.34 1yaj h TRP 175 N 0.43 1.11 -0.00 1.37 6.55 -1.79 -2.13 115.95 121.48 1yaj h TRP 175 Ca 0.64 0.03 0.00 0.00 0.95 0.00 0.00 58.89 60.51 1yaj h TRP 175 Cb 1.31 -0.36 0.00 0.00 -0.86 0.00 0.00 29.16 29.25 1yaj h TRP 175 CO -0.06 0.57 -0.57 0.41 -1.05 0.00 0.00 178.44 177.74 1yaj n GLY 176 N -1.38 -0.28 0.00 1.49 0.00 -0.26 -4.27 105.19 100.48 1yaj n GLY 176 Ca 0.14 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.88 0.00 -1.80 1.61 3.72 -0.62 0.13 117.46 119.62 1yaj n PHE 177 Ca 0.04 -0.03 -0.42 0.00 -0.05 0.00 0.00 57.45 56.99 1yaj n PHE 177 Cb 0.28 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.78 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 -0.06 1.53 -0.01 1.38 2.19 -0.80 -4.49 117.98 117.72 1yaj s PHE 178 Ca 0.00 0.04 0.03 0.00 0.33 0.00 0.00 56.93 57.33 1yaj s PHE 178 Cb 0.00 -4.08 -0.01 0.00 -1.31 0.00 0.00 43.02 37.63 1yaj s PHE 178 CO 0.00 -4.49 -0.10 0.45 1.83 0.00 0.00 175.22 172.90 1yaj s SER 179 N 5.00 1.23 0.00 6.13 0.15 -1.26 -4.33 113.70 120.61 1yaj s SER 179 Ca 0.85 -0.20 0.22 0.00 0.70 0.00 0.00 55.95 57.51 1yaj s SER 179 Cb -0.36 -0.13 -0.05 0.00 -1.71 0.00 0.00 66.02 63.77 1yaj s SER 179 CO 0.36 0.12 1.03 0.35 1.20 0.00 0.00 173.24 176.30 1yaj n THR 180 N 2.76 0.00 -0.66 6.45 -2.24 -0.54 -4.54 114.28 115.51 1yaj n THR 180 Ca -0.14 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1yaj n THR 180 Cb 0.56 1.21 0.00 0.00 -2.10 0.00 0.00 70.33 70.00 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 1.41 0.65 2.01 3.38 0.00 -1.25 -4.19 105.19 107.20 1yaj n GLY 181 Ca 0.08 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 1yaj n GLY 181 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1yaj n ASP 182 N 0.27 -0.56 0.25 1.61 5.75 -1.26 -5.00 116.55 117.61 1yaj n ASP 182 Ca 0.00 -2.30 0.16 0.00 -0.01 0.00 0.00 54.79 52.65 1yaj n ASP 182 Cb 0.00 1.19 0.87 0.00 -1.03 0.00 0.00 41.12 42.16 1yaj n ASP 182 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1yaj h GLU 183 N 0.00 0.00 0.00 0.11 9.09 -1.96 -1.10 114.58 120.71 1yaj h GLU 183 Ca -0.15 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.26 1yaj h GLU 183 Cb 0.74 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.84 1yaj h GLU 183 CO 0.22 0.00 0.00 0.45 0.05 0.00 0.00 179.01 179.73 1yaj h HIS 184 N 0.00 0.00 0.00 2.06 3.86 -1.95 -3.41 115.15 115.71 1yaj h HIS 184 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1yaj h HIS 184 Cb 0.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.52 1yaj h HIS 184 CO 0.00 0.00 0.00 0.45 0.86 0.00 0.00 177.93 179.24 1yaj n SER 185 N -2.43 0.00 -0.33 2.45 2.88 -0.57 -4.91 113.62 110.72 1yaj n SER 185 Ca 0.03 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.73 1yaj n SER 185 Cb 0.32 0.00 0.35 0.00 -0.75 0.00 0.00 64.21 64.13 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 0.00 0.49 0.00 -1.46 3.08 -1.48 -1.43 114.38 113.58 1yaj h ARG 186 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1yaj h ARG 186 Cb 0.00 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1yaj h ARG 186 CO 0.00 0.33 0.00 0.41 -1.07 0.00 0.00 179.97 179.64 1yaj n GLY 187 N -1.32 -1.14 2.31 0.04 0.00 -1.26 -4.60 105.19 99.22 1yaj n GLY 187 Ca 0.25 -2.06 -0.14 0.00 0.00 0.00 0.00 46.02 44.07 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 -4.14 -0.15 1.61 3.02 -1.26 -4.85 115.26 109.49 1yaj n ASN 188 Ca 0.00 0.22 -0.06 0.00 -0.03 0.00 0.00 54.58 54.72 1yaj n ASN 188 Cb 0.00 -3.61 0.01 0.00 -0.61 0.00 0.00 39.78 35.57 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 -0.77 -0.74 3.10 -0.00 -1.43 -0.97 115.95 115.15 1yaj h TRP 189 Ca -0.32 0.06 0.15 0.00 -0.00 0.00 0.00 58.89 58.78 1yaj h TRP 189 Cb 1.13 0.41 -0.05 0.00 -0.00 0.00 0.00 29.16 30.65 1yaj h TRP 189 CO 0.57 -0.35 0.50 0.78 -0.00 0.00 0.00 178.44 179.93 1yaj h GLY 190 N -0.18 0.66 1.63 1.49 0.00 0.93 -1.12 103.07 106.48 1yaj h GLY 190 Ca 0.21 -0.17 -0.22 0.00 0.00 0.00 0.00 47.33 47.15 1yaj h GLY 190 CO -0.59 0.06 -0.94 0.45 0.00 0.00 0.00 176.54 175.52 1yaj h HIS 191 N 0.39 0.50 0.00 5.60 3.86 -1.46 -2.66 115.15 121.39 1yaj h HIS 191 Ca 0.36 -0.28 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 1yaj h HIS 191 Cb 0.85 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.27 1yaj h HIS 191 CO -0.00 1.10 -0.03 -0.07 0.86 0.00 0.00 177.93 179.79 1yaj h LEU 192 N 0.18 0.00 0.05 2.43 3.38 -0.35 -1.28 115.31 119.72 1yaj h LEU 192 Ca -0.07 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.65 1yaj h LEU 192 Cb 1.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.32 1yaj h LEU 192 CO 0.16 0.03 -1.12 0.44 0.09 0.00 0.00 178.44 178.03 1yaj h ASP 193 N 0.00 0.25 0.45 -0.43 3.32 -1.14 -1.36 116.42 117.52 1yaj h ASP 193 Ca -0.00 -0.26 -0.16 0.00 0.02 0.00 0.00 57.03 56.63 1yaj h ASP 193 Cb 0.38 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1yaj h ASP 193 CO 0.00 1.19 -0.69 1.56 -1.72 0.00 0.00 179.24 179.59 1yaj h GLN 194 N 0.05 0.21 0.16 3.56 4.20 -0.98 -1.59 115.11 120.71 1yaj h GLN 194 Ca -0.08 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 1yaj h GLN 194 Cb 1.86 0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.67 1yaj h GLN 194 CO 0.17 0.81 -0.08 0.28 -0.67 0.00 0.00 178.83 179.35 1yaj h VAL 195 N 0.14 0.97 -0.72 -0.54 2.07 -1.24 -2.25 116.25 114.68 1yaj h VAL 195 Ca -0.02 -0.68 0.16 0.00 0.82 0.00 0.00 66.70 66.98 1yaj h VAL 195 Cb 1.23 1.38 -0.11 0.00 -1.52 0.00 0.00 31.29 32.26 1yaj h VAL 195 CO 0.10 0.16 0.12 0.00 0.02 0.00 0.00 177.57 177.97 1yaj h ALA 196 N 0.21 0.87 -0.39 1.67 0.00 -1.10 0.16 119.26 120.68 1yaj h ALA 196 Ca -0.02 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1yaj h ALA 196 Cb 0.42 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1yaj h ALA 196 CO 0.04 -0.37 0.24 0.00 0.00 0.00 0.00 179.25 179.16 1yaj h ALA 197 N 1.62 0.49 0.00 0.00 0.00 -1.24 -1.36 119.26 118.77 1yaj h ALA 197 Ca 0.40 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1yaj h ALA 197 Cb 0.69 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1yaj h ALA 197 CO -0.54 -0.03 -0.00 -0.07 0.00 0.00 0.00 179.25 178.62 1yaj h LEU 198 N 0.51 0.00 -0.21 0.00 3.38 -0.13 -1.30 115.31 117.56 1yaj h LEU 198 Ca 0.14 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.90 1yaj h LEU 198 Cb -0.02 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.74 1yaj h LEU 198 CO -0.03 0.00 -0.70 0.03 0.09 0.00 0.00 178.44 177.84 1yaj h ARG 199 N 0.00 0.83 -0.11 1.13 3.08 -0.11 -2.16 114.38 117.03 1yaj h ARG 199 Ca -0.00 -0.62 -0.02 0.00 0.07 0.00 0.00 59.98 59.41 1yaj h ARG 199 Cb 0.00 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1yaj h ARG 199 CO 0.00 1.24 -0.03 2.35 -1.07 0.00 0.00 179.97 182.46 1yaj h TRP 200 N 0.59 0.16 0.12 3.04 7.01 -0.28 -2.19 115.95 124.41 1yaj h TRP 200 Ca -0.03 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 60.96 1yaj h TRP 200 Cb 1.32 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 28.33 1yaj h TRP 200 CO 0.08 0.20 -0.06 0.28 -2.79 0.00 0.00 178.44 176.15 1yaj h VAL 201 N 0.16 1.06 0.00 2.65 2.07 -1.19 -1.34 116.25 119.65 1yaj h VAL 201 Ca 0.04 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.68 1yaj h VAL 201 Cb 0.16 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1yaj h VAL 201 CO 0.01 0.20 0.01 0.00 0.02 0.00 0.00 177.57 177.81 1yaj n GLN 202 N -4.97 0.09 0.00 1.57 1.13 -0.83 -0.68 117.38 113.69 1yaj n GLN 202 Ca -0.09 0.59 0.01 0.00 -1.94 0.00 0.00 57.00 55.58 1yaj n GLN 202 Cb 0.24 -1.81 0.01 0.00 0.11 0.00 0.00 30.24 28.79 1yaj n GLN 202 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1yaj n ASP 203 N -2.00 0.96 0.00 1.08 8.00 -0.87 -4.84 116.55 118.88 1yaj n ASP 203 Ca -0.01 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.51 1yaj n ASP 203 Cb 0.03 0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 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 -0.15 0.00 0.04 -2.24 3.02 -0.52 -4.73 115.26 110.68 1yaj n ASN 204 Ca 0.01 0.00 0.22 0.00 -0.03 0.00 0.00 54.58 54.78 1yaj n ASN 204 Cb 0.07 0.00 0.67 0.00 -0.61 0.00 0.00 39.78 39.91 1yaj n ASN 204 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1yaj h ILE 205 N 0.00 0.25 0.00 2.41 6.09 -1.05 -1.12 117.51 124.10 1yaj h ILE 205 Ca 0.00 0.00 0.03 0.00 -1.37 0.00 0.00 64.86 63.52 1yaj h ILE 205 Cb 0.00 0.49 -0.04 0.00 0.47 0.00 0.00 36.82 37.75 1yaj h ILE 205 CO 0.00 0.00 -0.18 0.00 -3.07 0.00 0.00 178.15 174.90 1yaj h ALA 206 N 1.25 -0.23 0.00 0.18 0.00 -1.78 -0.00 119.26 118.67 1yaj h ALA 206 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1yaj h ALA 206 Cb 1.50 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.61 1yaj h ALA 206 CO -0.00 -0.68 0.00 0.43 0.00 0.00 0.00 179.25 179.00 1yaj n SER 207 N -5.31 0.00 -0.72 0.00 7.64 -0.42 -1.41 113.62 113.39 1yaj n SER 207 Ca -0.05 -0.11 0.04 0.00 1.01 0.00 0.00 58.87 59.75 1yaj n SER 207 Cb 0.23 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.62 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 -0.99 0.23 -0.30 1.43 3.01 -0.12 -4.84 117.46 115.87 1yaj n PHE 208 Ca 0.03 -1.56 0.00 0.00 1.01 0.00 0.00 57.45 56.93 1yaj n PHE 208 Cb 0.01 -0.26 0.00 0.00 -0.01 0.00 0.00 39.48 39.23 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 -1.08 1.93 3.87 1.37 0.00 -0.50 -4.70 105.19 106.07 1yaj n GLY 209 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 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 1.70 -0.38 -0.02 0.00 -0.55 0.92 107.32 106.99 1yaj s GLY 210 Ca 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 44.72 44.60 1yaj s GLY 210 CO 0.00 0.19 0.16 0.21 0.00 0.00 0.00 173.10 173.66 1yaj s ASN 211 N -4.05 5.26 0.29 1.64 2.47 1.00 -3.78 114.94 117.77 1yaj s ASN 211 Ca 0.55 -1.64 0.19 0.00 0.42 0.00 0.00 52.86 52.38 1yaj s ASN 211 Cb -0.11 -1.84 1.03 0.00 -1.45 0.00 0.00 41.25 38.88 1yaj s ASN 211 CO 0.51 -0.45 1.57 -0.81 -3.72 0.00 0.00 177.10 174.20 1yaj n PRO 212 N 4.69 0.12 0.00 0.43 -0.04 -1.26 -0.72 135.00 138.23 1yaj n PRO 212 Ca -0.08 0.62 0.13 0.00 -0.04 0.00 0.00 63.50 64.13 1yaj n PRO 212 Cb 0.42 -1.93 0.39 0.00 -0.04 0.00 0.00 33.50 32.35 1yaj n PRO 212 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1yaj n GLY 213 N -1.31 -0.27 2.35 0.55 0.00 -1.26 -4.50 105.19 100.74 1yaj n GLY 213 Ca -0.01 -0.45 -0.25 0.00 0.00 0.00 0.00 46.02 45.31 1yaj n GLY 213 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yaj n SER 214 N -0.21 -0.44 -4.66 1.61 2.88 0.10 -4.91 113.62 107.99 1yaj n SER 214 Ca 0.15 -2.51 -0.34 0.00 -1.33 0.00 0.00 58.87 54.84 1yaj n SER 214 Cb 0.37 -0.45 -0.10 0.00 -0.75 0.00 0.00 64.21 63.28 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 -0.29 4.10 -0.17 2.46 1.01 -1.26 -2.20 120.40 124.05 1yaj s VAL 215 Ca 0.33 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1yaj s VAL 215 Cb 0.08 -2.75 0.04 0.00 0.00 0.00 0.00 36.38 33.75 1yaj s VAL 215 CO -0.17 0.52 -0.08 -0.89 0.00 0.00 0.00 175.10 174.48 1yaj s THR 216 N -0.94 1.32 0.10 3.92 2.01 0.77 -0.23 115.64 122.59 1yaj s THR 216 Ca 0.15 -0.72 -0.15 0.00 0.31 0.00 0.00 61.69 61.29 1yaj s THR 216 Cb -0.11 -1.42 -0.07 0.00 0.01 0.00 0.00 72.50 70.91 1yaj s THR 216 CO 0.05 0.19 0.51 0.27 -0.69 0.00 0.00 174.62 174.96 1yaj s ILE 217 N 1.55 4.89 -0.10 1.82 -4.36 -0.40 -0.43 121.20 124.17 1yaj s ILE 217 Ca 0.01 0.84 -0.29 0.00 -0.26 0.00 0.00 60.65 60.96 1yaj s ILE 217 Cb -0.15 -3.75 0.07 0.00 1.25 0.00 0.00 42.46 39.88 1yaj s ILE 217 CO -0.08 0.35 0.67 0.72 0.24 0.00 0.00 174.94 176.84 1yaj s PHE 218 N -1.34 -0.67 0.31 1.37 -0.71 0.12 -0.62 117.98 116.45 1yaj s PHE 218 Ca 0.34 1.28 -0.19 0.00 -1.04 0.00 0.00 56.93 57.32 1yaj s PHE 218 Cb -0.16 0.36 0.03 0.00 -1.21 0.00 0.00 43.02 42.05 1yaj s PHE 218 CO 0.18 -0.54 0.76 0.20 -1.34 0.00 0.00 175.22 174.48 1yaj s GLY 219 N -0.81 0.07 0.24 1.99 0.00 -1.00 0.46 107.32 108.27 1yaj s GLY 219 Ca -0.08 -0.45 0.11 0.00 0.00 0.00 0.00 44.72 44.29 1yaj s GLY 219 CO 0.08 -0.13 -0.20 1.85 0.00 0.00 0.00 173.10 174.69 1yaj s GLU 220 N -3.31 1.56 2.84 2.90 -6.30 -1.22 -1.45 118.70 113.71 1yaj s GLU 220 Ca 0.13 -1.65 0.00 0.00 -2.50 0.00 0.00 54.97 50.94 1yaj s GLU 220 Cb -0.06 -1.66 0.00 0.00 0.00 0.00 0.00 34.13 32.41 1yaj s GLU 220 CO 0.08 0.32 0.00 0.45 0.02 0.00 0.00 175.26 176.14 1yaj n SER 221 N -0.29 0.00 -0.37 -1.70 2.88 -0.96 0.50 113.62 113.68 1yaj n SER 221 Ca -0.08 0.00 0.29 0.00 -1.33 0.00 0.00 58.87 57.75 1yaj n SER 221 Cb 0.59 0.00 0.55 0.00 -0.75 0.00 0.00 64.21 64.60 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 -0.43 2.34 -0.63 -1.46 0.00 -1.89 0.49 119.26 117.67 1yaj h ALA 222 Ca 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1yaj h ALA 222 Cb 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1yaj h ALA 222 CO 0.00 -0.90 0.35 0.78 0.00 0.00 0.00 179.25 179.48 1yaj h GLY 223 N 0.25 0.94 0.85 0.00 0.00 -0.01 0.00 103.07 105.10 1yaj h GLY 223 Ca 0.73 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1yaj h GLY 223 CO -0.45 0.41 -0.15 -1.33 0.00 0.00 0.00 176.54 175.02 1yaj h GLY 224 N 0.86 -0.33 0.38 4.60 0.00 0.53 -1.13 103.07 107.97 1yaj h GLY 224 Ca 0.22 0.17 0.19 0.00 0.00 0.00 0.00 47.33 47.91 1yaj h GLY 224 CO -0.04 -0.15 0.58 -2.09 0.00 0.00 0.00 176.54 174.85 1yaj h GLU 225 N -0.34 0.40 -0.66 4.80 4.22 -0.90 1.04 114.58 123.14 1yaj h GLU 225 Ca -0.00 -0.02 -0.04 0.00 0.08 0.00 0.00 59.36 59.37 1yaj h GLU 225 Cb 0.31 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1yaj h GLU 225 CO -0.02 0.27 0.25 0.77 -2.18 0.00 0.00 179.01 178.09 1yaj h SER 226 N 0.42 0.90 -0.82 1.04 0.02 0.17 0.31 113.55 115.59 1yaj h SER 226 Ca 0.45 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.26 1yaj h SER 226 Cb 1.10 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 63.37 1yaj h SER 226 CO -0.17 0.82 0.46 0.58 -1.14 0.00 0.00 176.83 177.37 1yaj h VAL 227 N 0.96 1.24 -0.20 2.27 2.07 0.20 0.03 116.25 122.82 1yaj h VAL 227 Ca 0.22 -0.58 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 1yaj h VAL 227 Cb 0.21 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1yaj h VAL 227 CO -0.02 0.26 -0.05 -1.28 0.02 0.00 0.00 177.57 176.51 1yaj h SER 228 N 1.13 0.39 -0.81 0.57 0.87 -0.01 -2.30 113.55 113.38 1yaj h SER 228 Ca 0.29 -0.37 0.06 0.00 -1.23 0.00 0.00 61.79 60.54 1yaj h SER 228 Cb 0.02 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 61.81 1yaj h SER 228 CO -0.05 0.67 0.50 0.58 -0.53 0.00 0.00 176.83 178.00 1yaj h VAL 229 N 0.11 1.04 -0.34 2.23 2.07 -0.09 -0.69 116.25 120.57 1yaj h VAL 229 Ca 0.05 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1yaj h VAL 229 Cb 0.50 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1yaj h VAL 229 CO 0.02 0.17 0.17 -0.07 0.02 0.00 0.00 177.57 177.88 1yaj h LEU 230 N 0.92 0.45 -1.26 2.57 3.38 -0.89 -0.73 115.31 119.76 1yaj h LEU 230 Ca 0.35 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.21 1yaj h LEU 230 Cb 0.15 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1yaj h LEU 230 CO -0.16 0.45 0.51 0.58 0.09 0.00 0.00 178.44 179.90 1yaj h VAL 231 N 0.42 1.17 -0.13 1.22 2.07 -0.83 -1.15 116.25 119.03 1yaj h VAL 231 Ca 0.12 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1yaj h VAL 231 Cb 0.12 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 1yaj h VAL 231 CO -0.02 0.18 0.00 0.18 0.02 0.00 0.00 177.57 177.94 1yaj n LEU 232 N -4.43 1.24 -4.67 2.57 4.77 -0.32 -4.86 117.00 111.31 1yaj n LEU 232 Ca 0.09 -0.52 -0.33 0.00 -0.03 0.00 0.00 56.01 55.22 1yaj n LEU 232 Cb 0.06 -0.08 -0.09 0.00 -2.33 0.00 0.00 43.42 40.97 1yaj n LEU 232 CO 0.36 0.26 -0.33 -0.55 -1.33 0.00 0.00 177.39 175.80 1yaj s SER 233 N -1.54 5.03 -0.03 -1.43 0.15 -0.32 -4.93 113.70 110.64 1yaj s SER 233 Ca 0.30 -0.03 -0.24 0.00 0.70 0.00 0.00 55.95 56.69 1yaj s SER 233 Cb 0.16 -1.29 -0.17 0.00 -1.71 0.00 0.00 66.02 63.00 1yaj s SER 233 CO 0.24 0.28 1.10 -0.65 1.20 0.00 0.00 173.24 175.41 1yaj h PRO 234 N 4.41 -0.20 -1.03 5.44 0.11 -1.83 -3.23 132.00 135.67 1yaj h PRO 234 Ca -0.49 0.01 0.29 0.00 0.11 0.00 0.00 66.00 65.93 1yaj h PRO 234 Cb 1.18 0.05 -0.13 0.00 0.11 0.00 0.00 31.00 32.20 1yaj h PRO 234 CO 0.57 0.22 0.61 -0.07 -0.21 0.00 0.00 178.00 179.12 1yaj h LEU 235 N -0.72 0.56 -0.20 2.35 3.38 -1.86 0.67 115.31 119.49 1yaj h LEU 235 Ca -0.02 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1yaj h LEU 235 Cb 0.51 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1yaj h LEU 235 CO 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.56 1yaj n ALA 236 N -2.34 1.48 -0.89 1.53 0.00 -1.22 -4.82 120.51 114.24 1yaj n ALA 236 Ca 0.29 -0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.39 1yaj n ALA 236 Cb 0.90 -1.21 0.08 0.00 0.00 0.00 0.00 19.45 19.22 1yaj n ALA 236 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1yaj n LYS 237 N -1.66 -0.18 -1.18 0.00 5.02 0.23 -2.22 118.16 118.18 1yaj n LYS 237 Ca 0.02 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1yaj n LYS 237 Cb 0.13 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 1yaj n LYS 237 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1yaj n ASN 238 N 0.96 -0.24 -0.09 4.39 6.94 -1.26 -4.64 115.26 121.32 1yaj n ASN 238 Ca 0.02 0.12 -0.10 0.00 -0.02 0.00 0.00 54.58 54.61 1yaj n ASN 238 Cb 0.55 -0.51 -0.16 0.00 -2.36 0.00 0.00 39.78 37.31 1yaj n ASN 238 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1yaj n LEU 239 N -1.14 0.15 -4.27 -4.53 4.77 -0.94 -5.01 117.00 106.04 1yaj n LEU 239 Ca 0.00 0.07 -0.16 0.00 -0.03 0.00 0.00 56.01 55.90 1yaj n LEU 239 Cb 0.12 0.44 -0.10 0.00 -2.33 0.00 0.00 43.42 41.55 1yaj n LEU 239 CO 0.00 0.48 -0.22 0.72 -1.33 0.00 0.00 177.39 177.04 1yaj s PHE 240 N -2.52 1.42 0.00 -1.77 -0.71 -1.26 -4.84 117.98 108.30 1yaj s PHE 240 Ca -0.09 -1.37 0.00 0.00 -1.04 0.00 0.00 56.93 54.43 1yaj s PHE 240 Cb 0.06 -0.72 0.00 0.00 -1.21 0.00 0.00 43.02 41.15 1yaj s PHE 240 CO 0.83 -0.58 0.12 0.72 -1.34 0.00 0.00 175.22 174.97 1yaj n HIS 241 N -0.43 0.00 -3.62 3.49 8.25 0.68 -4.90 115.22 118.69 1yaj n HIS 241 Ca 0.02 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.32 1yaj n HIS 241 Cb 0.65 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.69 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 -0.23 0.87 0.01 -0.41 0.52 -1.12 -4.13 118.95 114.46 1yaj s ARG 242 Ca 0.00 0.22 0.01 0.00 -0.52 0.00 0.00 55.73 55.44 1yaj s ARG 242 Cb 0.00 0.41 -0.01 0.00 0.52 0.00 0.00 34.95 35.87 1yaj s ARG 242 CO 0.00 -0.24 -0.05 0.00 0.02 0.00 0.00 175.30 175.03 1yaj s ALA 243 N -0.97 0.36 -0.19 2.13 0.00 -0.74 -1.27 121.76 121.08 1yaj s ALA 243 Ca -0.10 -0.30 -0.02 0.00 0.00 0.00 0.00 51.96 51.54 1yaj s ALA 243 Cb -0.02 -0.05 0.06 0.00 0.00 0.00 0.00 23.12 23.10 1yaj s ALA 243 CO 0.07 0.05 0.02 0.42 0.00 0.00 0.00 175.76 176.32 1yaj s ILE 244 N -0.39 0.66 -0.47 0.00 1.01 0.21 -0.60 121.20 121.63 1yaj s ILE 244 Ca -0.01 -0.61 -0.09 0.00 0.00 0.00 0.00 60.65 59.93 1yaj s ILE 244 Cb -0.03 -1.11 0.12 0.00 0.01 0.00 0.00 42.46 41.44 1yaj s ILE 244 CO -0.00 -0.16 0.34 -0.44 0.00 0.00 0.00 174.94 174.68 1yaj s SER 245 N 1.80 5.72 -0.37 3.58 0.01 -0.66 -2.38 113.70 121.40 1yaj s SER 245 Ca -0.01 -1.88 -0.22 0.00 1.31 0.00 0.00 55.95 55.15 1yaj s SER 245 Cb -0.17 -2.02 0.01 0.00 0.21 0.00 0.00 66.02 64.05 1yaj s SER 245 CO -0.08 -0.69 0.75 -1.61 0.41 0.00 0.00 173.24 172.02 1yaj s GLU 246 N 1.38 3.71 -1.47 12.44 2.02 -0.53 -2.00 118.70 134.25 1yaj s GLU 246 Ca 0.05 0.22 -0.04 0.00 0.02 0.00 0.00 54.97 55.23 1yaj s GLU 246 Cb -0.26 -3.82 0.02 0.00 0.10 0.00 0.00 34.13 30.17 1yaj s GLU 246 CO -0.00 -0.83 0.34 0.43 0.02 0.00 0.00 175.26 175.22 1yaj n SER 247 N 6.34 -5.22 -3.64 -0.19 7.64 0.14 -2.25 113.62 116.43 1yaj n SER 247 Ca 0.02 -0.16 -0.05 0.00 1.01 0.00 0.00 58.87 59.69 1yaj n SER 247 Cb 0.48 -4.29 -0.07 0.00 -1.01 0.00 0.00 64.21 59.32 1yaj n SER 247 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1yaj s GLY 248 N -2.44 -0.12 0.04 0.23 0.00 -1.26 -3.83 107.32 99.94 1yaj s GLY 248 Ca 0.20 2.94 -0.13 0.00 0.00 0.00 0.00 44.72 47.73 1yaj s GLY 248 CO 0.25 2.39 0.27 -1.34 0.00 0.00 0.00 173.10 174.67 1yaj s VAL 249 N 1.11 0.09 0.65 1.40 -7.23 -1.26 -3.03 120.40 112.13 1yaj s VAL 249 Ca -0.06 -0.74 0.25 0.00 -1.81 0.00 0.00 61.98 59.62 1yaj s VAL 249 Cb -0.04 -0.93 0.28 0.00 0.56 0.00 0.00 36.38 36.25 1yaj s VAL 249 CO -0.13 -0.41 1.76 0.00 -0.31 0.00 0.00 175.10 176.01 1yaj h ALA 250 N 3.29 1.69 -0.38 1.32 0.00 -1.88 0.44 119.26 123.73 1yaj h ALA 250 Ca -0.32 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1yaj h ALA 250 Cb 1.20 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1yaj h ALA 250 CO 0.46 -0.57 0.04 1.28 0.00 0.00 0.00 179.25 180.46 1yaj n LEU 251 N -3.03 4.10 -4.40 0.00 4.77 -1.26 -4.68 117.00 112.50 1yaj n LEU 251 Ca 0.02 -2.09 -0.44 0.00 -0.03 0.00 0.00 56.01 53.47 1yaj n LEU 251 Cb 0.58 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1yaj n LEU 251 CO 0.15 0.52 1.37 0.41 -1.33 0.00 0.00 177.39 178.51 1yaj n THR 252 N 0.31 4.31 0.00 -5.08 -1.04 0.15 -4.79 114.28 108.15 1yaj n THR 252 Ca 0.19 -4.79 0.00 0.00 -2.04 0.00 0.00 64.05 57.41 1yaj n THR 252 Cb 0.88 -2.47 0.00 0.00 -1.82 0.00 0.00 70.33 66.92 1yaj n THR 252 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1yaj n SER 253 N 5.11 0.00 -0.14 8.00 7.64 -1.26 -1.41 113.62 131.56 1yaj n SER 253 Ca 0.36 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 60.22 1yaj n SER 253 Cb 0.42 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.61 1yaj n SER 253 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1yaj n VAL 254 N -0.35 -0.20 0.29 0.44 3.14 -1.26 0.15 118.33 120.53 1yaj n VAL 254 Ca 0.00 0.81 0.12 0.00 -2.96 0.00 0.00 64.34 62.31 1yaj n VAL 254 Cb 0.00 -1.03 0.55 0.00 -1.06 0.00 0.00 33.84 32.29 1yaj n VAL 254 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1yaj n LEU 255 N -4.46 0.65 -4.33 6.55 4.77 -0.50 -4.63 117.00 115.04 1yaj n LEU 255 Ca 0.02 0.72 -0.32 0.00 -0.03 0.00 0.00 56.01 56.40 1yaj n LEU 255 Cb 0.11 -0.70 -0.15 0.00 -2.33 0.00 0.00 43.42 40.35 1yaj n LEU 255 CO -0.05 -0.75 -0.50 -0.69 -1.33 0.00 0.00 177.39 174.06 1yaj s VAL 256 N -3.44 2.58 -0.30 4.08 1.01 0.39 -1.21 120.40 123.51 1yaj s VAL 256 Ca 0.01 -0.86 -0.06 0.00 0.00 0.00 0.00 61.98 61.07 1yaj s VAL 256 Cb 0.08 -2.01 0.02 0.00 0.00 0.00 0.00 36.38 34.47 1yaj s VAL 256 CO 0.31 0.56 0.07 -0.54 0.00 0.00 0.00 175.10 175.50 1yaj s LYS 257 N -0.02 2.95 0.35 2.72 -0.14 -0.71 -4.85 119.74 120.05 1yaj s LYS 257 Ca -0.06 -0.95 0.08 0.00 -1.36 0.00 0.00 55.97 53.68 1yaj s LYS 257 Cb -0.15 -3.35 -0.03 0.00 -1.68 0.00 0.00 37.83 32.63 1yaj s LYS 257 CO 0.05 -0.49 0.27 0.15 -0.76 0.00 0.00 175.35 174.56 1yaj s LYS 258 N 1.45 2.59 1.58 1.68 1.02 -1.26 -4.55 119.74 122.26 1yaj s LYS 258 Ca 0.01 -1.41 0.00 0.00 0.02 0.00 0.00 55.97 54.59 1yaj s LYS 258 Cb -0.18 -2.37 0.00 0.00 -0.52 0.00 0.00 37.83 34.76 1yaj s LYS 258 CO 0.02 0.04 0.00 0.41 -0.92 0.00 0.00 175.35 174.90 1yaj n GLY 259 N -1.35 -0.09 3.58 -3.33 0.00 -1.26 -4.78 105.19 97.96 1yaj n GLY 259 Ca -0.01 -1.44 -0.39 0.00 0.00 0.00 0.00 46.02 44.17 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 6.16 0.23 1.61 2.15 -1.26 -4.94 116.67 116.61 1yaj s ASP 260 Ca 0.00 0.04 0.20 0.00 0.43 0.00 0.00 52.55 53.22 1yaj s ASP 260 Cb 0.00 -2.18 0.04 0.00 -0.30 0.00 0.00 42.92 40.48 1yaj s ASP 260 CO 0.00 -0.18 1.17 -0.37 -0.17 0.00 0.00 175.17 175.61 1yaj h VAL 261 N 5.42 0.28 -0.97 1.11 -1.51 -1.89 -3.38 116.25 115.30 1yaj h VAL 261 Ca -0.32 -1.47 0.22 0.00 -1.23 0.00 0.00 66.70 63.90 1yaj h VAL 261 Cb 1.17 1.90 -0.18 0.00 -2.13 0.00 0.00 31.29 32.04 1yaj h VAL 261 CO 0.63 0.16 -0.15 1.17 -1.23 0.00 0.00 177.57 178.15 1yaj n LYS 262 N -2.91 -0.08 -0.35 5.19 3.00 -1.26 -0.79 118.16 120.96 1yaj n LYS 262 Ca -0.01 1.49 0.03 0.00 -0.00 0.00 0.00 58.31 59.82 1yaj n LYS 262 Cb 0.65 -2.28 0.18 0.00 0.00 0.00 0.00 35.03 33.58 1yaj n LYS 262 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 1yaj h PRO 263 N 0.00 1.03 -0.64 1.64 0.11 -1.94 0.42 132.00 132.62 1yaj h PRO 263 Ca 0.51 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.50 1yaj h PRO 263 Cb 0.89 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 31.75 1yaj h PRO 263 CO -0.97 0.68 0.18 1.25 -0.21 0.00 0.00 178.00 178.92 1yaj h LEU 264 N 1.06 0.96 -0.55 2.35 6.46 -1.25 -1.47 115.31 122.87 1yaj h LEU 264 Ca 0.43 -0.22 -0.06 0.00 -0.12 0.00 0.00 57.88 57.90 1yaj h LEU 264 Cb 0.24 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 39.90 1yaj h LEU 264 CO -0.20 0.93 0.10 0.00 -0.62 0.00 0.00 178.44 178.65 1yaj h ALA 265 N 1.06 0.73 0.00 1.25 0.00 -1.16 -1.00 119.26 120.13 1yaj h ALA 265 Ca 0.20 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1yaj h ALA 265 Cb 0.33 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1yaj h ALA 265 CO -0.00 0.46 -0.02 0.93 0.00 0.00 0.00 179.25 180.62 1yaj h GLU 266 N 0.80 0.00 0.09 0.00 5.08 -0.57 -0.37 114.58 119.60 1yaj h GLU 266 Ca 0.17 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.23 1yaj h GLU 266 Cb 0.40 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1yaj h GLU 266 CO 0.01 0.02 -1.58 0.37 -1.00 0.00 0.00 179.01 176.83 1yaj h GLN 267 N 0.00 0.18 -0.13 2.33 4.15 -0.15 -3.04 115.11 118.45 1yaj h GLN 267 Ca -0.00 -0.31 -0.09 0.00 0.77 0.00 0.00 58.65 59.02 1yaj h GLN 267 Cb 0.09 0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.89 1yaj h GLN 267 CO 0.00 1.00 -0.28 0.82 -1.93 0.00 0.00 178.83 178.44 1yaj h ILE 268 N 0.05 1.37 0.00 2.39 2.04 -0.31 -2.08 117.51 120.98 1yaj h ILE 268 Ca -0.25 -1.55 -0.02 0.00 1.00 0.00 0.00 64.86 64.03 1yaj h ILE 268 Cb 2.00 2.06 -0.00 0.00 -0.74 0.00 0.00 36.82 40.13 1yaj h ILE 268 CO 0.13 0.46 -0.12 0.00 0.00 0.00 0.00 178.15 178.63 1yaj h ALA 269 N 0.53 1.40 0.08 1.87 0.00 -1.25 0.26 119.26 122.16 1yaj h ALA 269 Ca 0.00 -0.11 -0.27 0.00 0.00 0.00 0.00 54.91 54.54 1yaj h ALA 269 Cb 0.87 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1yaj h ALA 269 CO 0.06 0.15 -1.29 0.82 0.00 0.00 0.00 179.25 178.98 1yaj h ILE 270 N 0.00 1.41 0.00 0.00 2.04 -1.49 1.07 117.51 120.54 1yaj h ILE 270 Ca -0.00 -3.06 -0.17 0.00 1.00 0.00 0.00 64.86 62.62 1yaj h ILE 270 Cb 0.29 2.82 -0.02 0.00 -0.74 0.00 0.00 36.82 39.17 1yaj h ILE 270 CO 0.02 0.86 -0.81 0.74 0.00 0.00 0.00 178.15 178.96 1yaj h THR 271 N 0.04 1.56 -0.00 -0.27 2.02 -0.55 -2.93 112.91 112.77 1yaj h THR 271 Ca -0.14 -2.70 0.00 0.00 0.77 0.00 0.00 66.41 64.34 1yaj h THR 271 Cb 1.93 2.47 0.00 0.00 -1.74 0.00 0.00 68.15 70.81 1yaj h THR 271 CO 0.16 0.78 -0.05 0.00 0.37 0.00 0.00 175.52 176.78 1yaj n ALA 272 N -2.40 2.67 -0.38 6.16 0.00 0.82 -4.87 120.51 122.50 1yaj n ALA 272 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1yaj n ALA 272 Cb 0.77 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 1.19 1.09 3.72 0.00 0.00 -1.11 -5.03 105.19 105.05 1yaj n GLY 273 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 -4.92 3.53 -0.35 0.00 2.20 -1.26 -4.10 119.74 114.84 1yaj s LYS 275 Ca 0.63 -0.21 0.10 0.00 -0.36 0.00 0.00 55.97 56.13 1yaj s LYS 275 Cb -0.18 -2.66 0.45 0.00 -1.51 0.00 0.00 37.83 33.93 1yaj s LYS 275 CO 0.57 0.18 1.11 0.25 -0.36 0.00 0.00 175.35 177.10 1yaj n THR 276 N -1.44 2.11 0.09 3.43 -2.24 -1.26 -4.23 114.28 110.74 1yaj n THR 276 Ca -0.04 -4.21 -0.14 0.00 -2.27 0.00 0.00 64.05 57.40 1yaj n THR 276 Cb 0.55 -0.66 -0.10 0.00 -2.10 0.00 0.00 70.33 68.02 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 2.85 1.48 -3.38 4.28 2.02 -1.96 -3.47 112.91 114.73 1yaj h THR 277 Ca 0.22 -2.86 -0.04 0.00 0.77 0.00 0.00 66.41 64.50 1yaj h THR 277 Cb 1.20 2.74 -0.11 0.00 -1.74 0.00 0.00 68.15 70.24 1yaj h THR 277 CO 0.70 0.84 -0.03 0.42 0.37 0.00 0.00 175.52 177.82 1yaj s THR 278 N -2.89 0.04 0.03 3.16 -4.23 -1.26 -5.04 115.64 105.45 1yaj s THR 278 Ca -0.04 -0.77 -0.24 0.00 -1.18 0.00 0.00 61.69 59.45 1yaj s THR 278 Cb 0.08 -1.49 -0.17 0.00 1.34 0.00 0.00 72.50 72.25 1yaj s THR 278 CO 0.87 -0.18 1.50 0.28 -0.54 0.00 0.00 174.62 176.55 1yaj h SER 279 N 2.27 0.01 -0.34 3.99 0.02 -1.97 -0.36 113.55 117.18 1yaj h SER 279 Ca -0.30 -0.25 0.10 0.00 -0.84 0.00 0.00 61.79 60.49 1yaj h SER 279 Cb 1.26 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 1yaj h SER 279 CO 0.41 0.26 0.59 0.00 -1.14 0.00 0.00 176.83 176.95 1yaj h ALA 280 N 0.75 2.00 0.10 3.77 0.00 -1.97 0.31 119.26 124.22 1yaj h ALA 280 Ca 0.00 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.62 1yaj h ALA 280 Cb 0.26 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1yaj h ALA 280 CO 0.00 -0.77 -1.47 0.28 0.00 0.00 0.00 179.25 177.30 1yaj h VAL 281 N 0.00 0.97 -0.58 0.00 2.07 -1.68 -3.05 116.25 113.98 1yaj h VAL 281 Ca 0.16 -2.37 0.01 0.00 0.82 0.00 0.00 66.70 65.32 1yaj h VAL 281 Cb 1.34 2.64 -0.03 0.00 -1.52 0.00 0.00 31.29 33.72 1yaj h VAL 281 CO -0.00 0.69 0.38 0.24 0.02 0.00 0.00 177.57 178.90 1yaj h MET 282 N -0.33 0.76 0.73 1.57 0.00 0.12 -0.56 114.93 117.23 1yaj h MET 282 Ca -0.32 -0.05 -0.04 0.00 0.00 0.00 0.00 59.70 59.30 1yaj h MET 282 Cb 1.75 -0.17 0.01 0.00 0.00 0.00 0.00 31.60 33.18 1yaj h MET 282 CO 0.04 0.50 -0.35 0.28 0.00 0.00 0.00 176.91 177.38 1yaj h VAL 283 N 0.78 0.23 -0.78 -2.22 2.07 -1.19 -0.68 116.25 114.45 1yaj h VAL 283 Ca 0.22 -0.12 0.17 0.00 0.82 0.00 0.00 66.70 67.79 1yaj h VAL 283 Cb -0.08 0.26 -0.11 0.00 -1.52 0.00 0.00 31.29 29.84 1yaj h VAL 283 CO -0.05 0.01 0.27 -0.74 0.02 0.00 0.00 177.57 177.08 1yaj h HIS 284 N -1.07 0.44 -0.35 1.57 -0.00 -1.45 -0.82 115.15 113.46 1yaj h HIS 284 Ca -0.10 0.04 -0.03 0.00 -0.00 0.00 0.00 60.37 60.28 1yaj h HIS 284 Cb 0.77 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 28.10 1yaj h HIS 284 CO -0.01 -0.03 0.09 0.00 -0.00 0.00 0.00 177.93 177.98 1yaj h LEU 286 N 0.41 0.00 -1.50 0.00 3.38 -0.09 -2.23 115.31 115.28 1yaj h LEU 286 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1yaj h LEU 286 Cb 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1yaj h LEU 286 CO -0.00 0.11 -0.06 0.03 0.09 0.00 0.00 178.44 178.61 1yaj h ARG 287 N 0.00 0.00 0.00 1.13 3.08 -0.94 -2.76 114.38 114.89 1yaj h ARG 287 Ca -0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 1yaj h ARG 287 Cb 0.58 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1yaj h ARG 287 CO 0.01 0.06 -0.78 1.96 -1.07 0.00 0.00 179.97 180.16 1yaj h GLN 288 N 0.00 0.00 -7.02 0.04 1.08 -1.36 -3.46 115.11 104.39 1yaj h GLN 288 Ca -0.00 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.66 1yaj h GLN 288 Cb 0.53 0.00 0.12 0.00 -0.05 0.00 0.00 27.48 28.08 1yaj h GLN 288 CO 0.01 0.29 0.62 0.15 -0.95 0.00 0.00 178.83 178.95 1yaj s LYS 289 N -3.05 3.42 0.96 1.46 -0.14 -1.04 -4.98 119.74 116.37 1yaj s LYS 289 Ca 0.02 2.23 -0.12 0.00 -1.36 0.00 0.00 55.97 56.73 1yaj s LYS 289 Cb 0.08 -2.42 0.17 0.00 -1.68 0.00 0.00 37.83 33.98 1yaj s LYS 289 CO 0.76 -0.96 1.09 0.95 -0.76 0.00 0.00 175.35 176.43 1yaj s THR 290 N -1.30 2.30 0.06 2.17 -4.23 -1.26 -4.84 115.64 108.54 1yaj s THR 290 Ca 0.67 0.10 -0.22 0.00 -1.18 0.00 0.00 61.69 61.05 1yaj s THR 290 Cb -0.40 -2.57 -0.13 0.00 1.34 0.00 0.00 72.50 70.74 1yaj s THR 290 CO 0.49 -0.13 1.53 -0.08 -0.54 0.00 0.00 174.62 175.89 1yaj h GLU 291 N -1.78 0.18 0.00 3.99 4.81 -1.98 -2.63 114.58 117.18 1yaj h GLU 291 Ca -0.53 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.64 1yaj h GLU 291 Cb 1.31 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.67 1yaj h GLU 291 CO 0.56 0.37 -0.08 1.49 -0.73 0.00 0.00 179.01 180.62 1yaj h GLU 292 N -0.04 0.00 -0.07 1.92 4.57 -1.99 -2.23 114.58 116.74 1yaj h GLU 292 Ca 0.03 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 1yaj h GLU 292 Cb 0.27 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1yaj h GLU 292 CO 0.00 0.08 -0.04 1.49 -1.18 0.00 0.00 179.01 179.36 1yaj h GLU 293 N 0.00 0.15 -0.32 1.92 4.81 -1.83 0.02 114.58 119.33 1yaj h GLU 293 Ca -0.00 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 1yaj h GLU 293 Cb 0.29 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1yaj h GLU 293 CO 0.01 0.52 -0.03 -0.07 -0.73 0.00 0.00 179.01 178.72 1yaj h LEU 294 N -0.24 0.47 -0.47 1.64 3.38 -1.16 0.33 115.31 119.25 1yaj h LEU 294 Ca 0.01 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 1yaj h LEU 294 Cb 0.48 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1yaj h LEU 294 CO 0.01 0.56 -0.30 0.25 0.09 0.00 0.00 178.44 179.05 1yaj h LEU 295 N 0.48 0.98 -0.02 1.67 5.85 -1.34 0.24 115.31 123.17 1yaj h LEU 295 Ca 0.10 -0.41 0.03 0.00 0.84 0.00 0.00 57.88 58.44 1yaj h LEU 295 Cb 0.36 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 1yaj h LEU 295 CO 0.01 1.20 -0.21 -0.08 -0.34 0.00 0.00 178.44 179.02 1yaj h GLU 296 N 0.78 -0.32 -0.99 1.25 4.81 -0.07 0.15 114.58 120.19 1yaj h GLU 296 Ca 0.08 0.02 0.18 0.00 -0.13 0.00 0.00 59.36 59.51 1yaj h GLU 296 Cb 0.88 0.07 -0.10 0.00 0.63 0.00 0.00 28.75 30.24 1yaj h GLU 296 CO 0.08 -0.21 0.62 1.15 -0.73 0.00 0.00 179.01 179.91 1yaj h THR 297 N -0.33 0.75 -0.12 0.32 2.02 -0.55 -1.47 112.91 113.52 1yaj h THR 297 Ca 0.06 -0.27 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 1yaj h THR 297 Cb 0.42 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 1yaj h THR 297 CO -0.21 0.14 0.06 0.74 0.37 0.00 0.00 175.52 176.62 1yaj h THR 298 N 0.77 1.13 0.00 3.16 2.02 0.88 -2.50 112.91 118.38 1yaj h THR 298 Ca 0.55 -0.39 -0.00 0.00 0.77 0.00 0.00 66.41 67.33 1yaj h THR 298 Cb 0.84 1.17 -0.00 0.00 -1.74 0.00 0.00 68.15 68.42 1yaj h THR 298 CO -0.33 0.12 -0.01 -0.07 0.37 0.00 0.00 175.52 175.59 1yaj h LEU 299 N 0.06 0.00 0.25 2.58 3.38 -0.02 -2.29 115.31 119.28 1yaj h LEU 299 Ca 0.04 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.68 1yaj h LEU 299 Cb 0.14 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.93 1yaj h LEU 299 CO -0.00 0.01 -1.47 0.11 0.09 0.00 0.00 178.44 177.18 1yaj h LYS 300 N 0.00 0.55 -0.21 1.13 1.57 -1.12 -3.26 116.57 115.22 1yaj h LYS 300 Ca -0.00 -0.93 -0.03 0.00 -1.87 0.00 0.00 60.65 57.82 1yaj h LYS 300 Cb 0.07 0.34 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1yaj h LYS 300 CO 0.00 1.44 0.01 0.52 -0.57 0.00 0.00 179.45 180.86 1yaj h MET 301 N 0.15 0.31 -4.51 3.15 2.86 -0.99 -3.47 114.93 112.43 1yaj h MET 301 Ca -0.25 -0.05 -0.27 0.00 -2.06 0.00 0.00 59.70 57.07 1yaj h MET 301 Cb 2.16 -0.05 0.11 0.00 0.06 0.00 0.00 31.60 33.87 1yaj h MET 301 CO 0.28 0.33 -0.50 1.63 1.06 0.00 0.00 176.91 179.70 1yaj n LYS 302 N -4.37 -5.49 -0.69 1.72 5.02 -1.04 -5.00 118.16 108.30 1yaj n LYS 302 Ca 0.00 0.60 -0.32 0.00 -2.02 0.00 0.00 58.31 56.57 1yaj n LYS 302 Cb 0.18 -4.92 0.16 0.00 -0.02 0.00 0.00 35.03 30.43 1yaj n LYS 302 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1yaj n PHE 303 N -4.04 -0.82 -2.33 2.13 3.01 -1.26 -2.99 117.46 111.16 1yaj n PHE 303 Ca -0.05 0.20 -0.21 0.00 1.01 0.00 0.00 57.45 58.41 1yaj n PHE 303 Cb 0.56 -1.79 -0.02 0.00 -0.01 0.00 0.00 39.48 38.23 1yaj n PHE 303 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 1yaj n LEU 304 N -2.69 -1.91 -3.95 4.37 7.94 -0.49 -4.98 117.00 115.29 1yaj n LEU 304 Ca 0.06 0.02 -0.14 0.00 -1.11 0.00 0.00 56.01 54.84 1yaj n LEU 304 Cb 0.55 -2.91 -0.14 0.00 0.53 0.00 0.00 43.42 41.45 1yaj n LEU 304 CO 0.51 -0.28 -0.39 -0.44 -1.11 0.00 0.00 177.39 175.68 1yaj s SER 305 N -2.12 0.49 -0.78 1.96 0.01 -1.16 -4.46 113.70 107.64 1yaj s SER 305 Ca 0.00 -0.14 -0.23 0.00 1.31 0.00 0.00 55.95 56.89 1yaj s SER 305 Cb 0.00 -0.04 0.07 0.00 0.21 0.00 0.00 66.02 66.26 1yaj s SER 305 CO 0.00 0.01 1.14 -0.22 0.41 0.00 0.00 173.24 174.58 1yaj s LEU 306 N -0.30 4.08 -0.30 2.44 2.96 -1.23 -4.89 118.68 121.45 1yaj s LEU 306 Ca -0.00 -1.12 -0.28 0.00 -0.22 0.00 0.00 54.13 52.50 1yaj s LEU 306 Cb -0.03 -2.47 -0.03 0.00 0.50 0.00 0.00 46.19 44.17 1yaj s LEU 306 CO -0.00 -1.48 1.89 -0.62 -1.32 0.00 0.00 176.35 174.82 1yaj s ASP 307 N 3.89 5.82 0.00 3.68 -1.08 -1.26 -4.84 116.67 122.88 1yaj s ASP 307 Ca 0.31 1.46 0.20 0.00 -0.52 0.00 0.00 52.55 54.00 1yaj s ASP 307 Cb -0.10 -2.52 0.54 0.00 -1.46 0.00 0.00 42.92 39.38 1yaj s ASP 307 CO 0.05 -1.74 1.45 0.18 0.52 0.00 0.00 175.17 175.63 1yaj n LEU 308 N 10.49 3.22 -2.66 -1.34 4.77 -1.26 -4.35 117.00 125.86 1yaj n LEU 308 Ca 0.24 -1.55 -0.06 0.00 -0.03 0.00 0.00 56.01 54.61 1yaj n LEU 308 Cb 0.46 -0.36 0.04 0.00 -2.33 0.00 0.00 43.42 41.23 1yaj n LEU 308 CO 0.68 0.77 0.01 0.00 -1.33 0.00 0.00 177.39 177.52 1yaj n GLN 309 N 1.28 2.01 -1.29 3.23 1.13 -1.26 -5.09 117.38 117.38 1yaj n GLN 309 Ca 0.20 -3.61 0.00 0.00 -1.94 0.00 0.00 57.00 51.65 1yaj n GLN 309 Cb 0.52 -1.68 0.00 0.00 0.11 0.00 0.00 30.24 29.19 1yaj n GLN 309 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1yaj n GLY 310 N -0.52 2.79 3.59 1.08 0.00 -1.26 -5.13 105.19 105.74 1yaj n GLY 310 Ca 0.15 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 1yaj n GLY 310 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yaj s ASP 311 N -0.86 6.49 0.51 1.61 -1.08 -1.26 -4.95 116.67 117.13 1yaj s ASP 311 Ca 0.00 0.32 0.28 0.00 -0.52 0.00 0.00 52.55 52.63 1yaj s ASP 311 Cb 0.00 -2.35 1.38 0.00 -1.46 0.00 0.00 42.92 40.50 1yaj s ASP 311 CO 0.00 -0.58 1.88 -0.65 0.52 0.00 0.00 175.17 176.33 1yaj h PRO 312 N 8.34 0.10 -0.03 4.34 0.11 -1.89 -0.11 132.00 142.85 1yaj h PRO 312 Ca -0.26 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.67 1yaj h PRO 312 Cb 1.11 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1yaj h PRO 312 CO 0.84 0.06 -0.75 0.00 -0.21 0.00 0.00 178.00 177.95 1yaj h ARG 313 N 0.10 0.23 0.06 1.05 3.08 -1.92 -3.32 114.38 113.66 1yaj h ARG 313 Ca 0.44 -0.20 -0.31 0.00 0.07 0.00 0.00 59.98 59.98 1yaj h ARG 313 Cb 1.59 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.65 1yaj h ARG 313 CO -0.05 0.87 -1.75 0.93 -1.07 0.00 0.00 179.97 178.90 1yaj h GLU 314 N 0.15 0.13 -5.28 0.04 5.08 -1.64 -3.46 114.58 109.59 1yaj h GLU 314 Ca -0.03 -0.21 -0.47 0.00 -1.00 0.00 0.00 59.36 57.65 1yaj h GLU 314 Cb 1.32 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.61 1yaj h GLU 314 CO 0.12 0.84 1.68 0.43 -1.00 0.00 0.00 179.01 181.08 1yaj n SER 315 N -3.26 1.21 -4.58 1.42 7.64 -0.18 -4.90 113.62 110.97 1yaj n SER 315 Ca -0.21 -0.18 -0.41 0.00 1.01 0.00 0.00 58.87 59.07 1yaj n SER 315 Cb 1.05 -1.23 -0.07 0.00 -1.01 0.00 0.00 64.21 62.95 1yaj n SER 315 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1yaj s GLN 316 N 8.64 3.77 0.12 1.43 2.00 -1.26 -4.62 119.66 129.74 1yaj s GLN 316 Ca 1.18 0.15 -0.14 0.00 -2.00 0.00 0.00 55.36 54.55 1yaj s GLN 316 Cb -0.74 -3.78 -0.06 0.00 0.80 0.00 0.00 33.01 29.24 1yaj s GLN 316 CO 0.38 -0.67 1.46 -1.00 -0.50 0.00 0.00 175.29 174.96 1yaj h PRO 317 N 8.36 0.79 -1.29 1.67 0.13 -1.90 -3.46 132.00 136.29 1yaj h PRO 317 Ca -0.26 -0.39 0.15 0.00 -0.87 0.00 0.00 66.00 64.62 1yaj h PRO 317 Cb 1.11 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.96 1yaj h PRO 317 CO 0.82 1.02 0.73 -0.48 -0.23 0.00 0.00 178.00 179.86 1yaj s LEU 318 N -9.01 -0.21 0.19 1.56 0.05 -1.26 -1.39 118.68 108.61 1yaj s LEU 318 Ca -0.12 0.34 -0.31 0.00 0.05 0.00 0.00 54.13 54.08 1yaj s LEU 318 Cb 0.10 1.44 -0.11 0.00 -2.05 0.00 0.00 46.19 45.57 1yaj s LEU 318 CO 0.84 -0.12 1.60 -0.76 -0.55 0.00 0.00 176.35 177.37 1yaj s LEU 319 N -0.36 4.37 0.00 1.48 1.02 -1.26 -4.95 118.68 118.98 1yaj s LEU 319 Ca 0.05 2.70 0.00 0.00 0.02 0.00 0.00 54.13 56.90 1yaj s LEU 319 Cb -0.03 -3.60 0.00 0.00 0.02 0.00 0.00 46.19 42.58 1yaj s LEU 319 CO -0.08 -0.86 0.00 0.61 0.02 0.00 0.00 176.35 176.04 1yaj n GLY 320 N 3.63 6.61 3.74 -3.19 0.00 -1.26 -4.89 105.19 109.82 1yaj n GLY 320 Ca 0.14 -1.79 -0.36 0.00 0.00 0.00 0.00 46.02 44.00 1yaj n GLY 320 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yaj s THR 321 N 0.09 2.29 0.34 2.61 2.01 -0.35 -4.74 115.64 117.89 1yaj s THR 321 Ca 0.00 0.17 0.07 0.00 0.31 0.00 0.00 61.69 62.25 1yaj s THR 321 Cb 0.00 -3.00 -0.03 0.00 0.01 0.00 0.00 72.50 69.48 1yaj s THR 321 CO 0.00 -0.05 0.27 0.68 -0.69 0.00 0.00 174.62 174.84 1yaj s VAL 322 N -1.57 0.04 -1.04 3.82 -7.23 -1.26 -1.73 120.40 111.42 1yaj s VAL 322 Ca 0.79 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.91 1yaj s VAL 322 Cb -0.33 -2.48 0.28 0.00 0.56 0.00 0.00 36.38 34.40 1yaj s VAL 322 CO 0.38 0.00 1.16 -0.38 -0.31 0.00 0.00 175.10 175.95 1yaj n ILE 323 N -0.67 4.42 0.15 -0.62 2.08 -1.26 -4.67 119.36 118.79 1yaj n ILE 323 Ca 0.07 -5.52 0.03 0.00 0.56 0.00 0.00 62.75 57.89 1yaj n ILE 323 Cb 0.62 -2.35 0.39 0.00 -0.75 0.00 0.00 39.64 37.55 1yaj n ILE 323 CO 0.00 0.00 0.00 -2.24 0.56 0.00 0.00 176.55 174.87 1yaj h ASP 324 N 5.96 0.14 0.00 4.38 -0.00 -1.82 -3.47 116.42 121.61 1yaj h ASP 324 Ca 0.18 -0.03 0.00 0.00 -0.00 0.00 0.00 57.03 57.18 1yaj h ASP 324 Cb 0.76 -0.04 0.00 0.00 -0.00 0.00 0.00 39.33 40.05 1yaj h ASP 324 CO 1.09 0.36 0.00 0.61 -0.00 0.00 0.00 179.24 181.30 1yaj n GLY 325 N -0.76 0.96 0.65 7.15 0.00 -0.85 -4.91 105.19 107.43 1yaj n GLY 325 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1yaj n GLY 325 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1yaj n MET 326 N -2.07 0.00 -0.09 1.61 2.81 -1.26 -4.87 117.12 113.25 1yaj n MET 326 Ca 0.00 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.76 1yaj n MET 326 Cb 0.00 -0.54 -0.14 0.00 -0.71 0.00 0.00 33.22 31.83 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 -2.34 1.14 -3.77 4.03 7.94 -1.26 -4.68 117.00 118.06 1yaj n LEU 327 Ca 0.00 0.03 -0.20 0.00 -1.11 0.00 0.00 56.01 54.73 1yaj n LEU 327 Cb 0.26 -0.06 -0.17 0.00 0.53 0.00 0.00 43.42 43.98 1yaj n LEU 327 CO 0.00 0.64 -0.37 -0.76 -1.11 0.00 0.00 177.39 175.79 1yaj s LEU 328 N -5.97 0.72 0.09 -1.96 1.43 -1.26 -4.23 118.68 107.51 1yaj s LEU 328 Ca -0.17 -0.02 0.25 0.00 -1.03 0.00 0.00 54.13 53.15 1yaj s LEU 328 Cb 0.07 -0.28 0.41 0.00 0.03 0.00 0.00 46.19 46.42 1yaj s LEU 328 CO 0.76 -0.17 1.37 0.18 0.23 0.00 0.00 176.35 178.72 1yaj n LEU 329 N 4.76 0.64 -3.59 1.79 4.77 -1.26 -2.00 117.00 122.12 1yaj n LEU 329 Ca -0.14 0.20 -0.09 0.00 -0.03 0.00 0.00 56.01 55.95 1yaj n LEU 329 Cb 0.50 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 1yaj n LEU 329 CO 0.14 -0.02 0.52 -1.59 -1.33 0.00 0.00 177.39 175.11 1yaj s LYS 330 N -3.13 1.30 0.60 3.23 -2.85 -1.26 -4.85 119.74 112.78 1yaj s LYS 330 Ca 0.07 -0.59 -0.19 0.00 -1.00 0.00 0.00 55.97 54.27 1yaj s LYS 330 Cb 0.14 0.53 -0.04 0.00 -2.06 0.00 0.00 37.83 36.40 1yaj s LYS 330 CO 0.71 -0.58 1.07 0.25 0.10 0.00 0.00 175.35 176.89 1yaj n THR 331 N -0.38 3.95 -0.26 3.79 -2.24 -1.26 -4.65 114.28 113.23 1yaj n THR 331 Ca -0.11 -0.50 0.01 0.00 -2.27 0.00 0.00 64.05 61.18 1yaj n THR 331 Cb 0.62 -1.26 0.14 0.00 -2.10 0.00 0.00 70.33 67.73 1yaj n THR 331 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1yaj h PRO 332 N 0.60 0.67 -1.01 -0.78 0.11 -1.98 0.58 132.00 130.19 1yaj h PRO 332 Ca -0.49 -0.04 0.23 0.00 0.11 0.00 0.00 66.00 65.81 1yaj h PRO 332 Cb 1.35 -0.15 -0.12 0.00 0.11 0.00 0.00 31.00 32.19 1yaj h PRO 332 CO 0.52 0.44 0.60 0.93 -0.21 0.00 0.00 178.00 180.29 1yaj h GLU 333 N 0.69 0.62 0.00 1.05 3.07 -1.92 0.25 114.58 118.34 1yaj h GLU 333 Ca 0.35 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.16 1yaj h GLU 333 Cb 0.31 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.08 1yaj h GLU 333 CO -0.24 0.41 -0.70 0.93 -1.40 0.00 0.00 179.01 178.01 1yaj h GLU 334 N 0.63 0.00 0.01 2.33 5.08 -1.49 -3.39 114.58 117.76 1yaj h GLU 334 Ca 0.63 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.99 1yaj h GLU 334 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1yaj h GLU 334 CO -0.45 0.03 -0.01 -0.07 -1.00 0.00 0.00 179.01 177.52 1yaj h LEU 335 N 0.00 -0.02 0.00 1.33 3.38 0.16 -3.26 115.31 116.90 1yaj h LEU 335 Ca -0.01 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.22 1yaj h LEU 335 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1yaj h LEU 335 CO 0.00 0.77 0.00 0.00 0.09 0.00 0.00 178.44 179.30 1yaj n GLN 336 N -4.72 0.10 0.16 1.13 10.64 -0.14 -0.90 117.38 123.64 1yaj n GLN 336 Ca -0.09 0.08 0.05 0.00 -1.83 0.00 0.00 57.00 55.21 1yaj n GLN 336 Cb 0.37 -1.50 0.06 0.00 -0.86 0.00 0.00 30.24 28.31 1yaj n GLN 336 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1yaj h ALA 337 N 2.21 0.74 -1.52 2.61 0.00 -1.75 -3.42 119.26 118.14 1yaj h ALA 337 Ca 0.00 -0.36 -0.59 0.00 0.00 0.00 0.00 54.91 53.96 1yaj h ALA 337 Cb 0.01 -0.06 -0.12 0.00 0.00 0.00 0.00 17.79 17.63 1yaj h ALA 337 CO 0.00 0.49 0.80 -2.00 0.00 0.00 0.00 179.25 178.54 1yaj s GLU 338 N -3.02 3.17 0.30 0.00 2.12 -0.08 -4.88 118.70 116.32 1yaj s GLU 338 Ca 0.05 -0.60 0.12 0.00 0.36 0.00 0.00 54.97 54.90 1yaj s GLU 338 Cb 0.07 -4.26 0.45 0.00 0.26 0.00 0.00 34.13 30.65 1yaj s GLU 338 CO 0.73 -1.97 1.65 0.00 -0.54 0.00 0.00 175.26 175.13 1yaj h ARG 339 N 9.76 0.00 -5.03 4.30 -0.00 -1.86 -3.38 114.38 118.17 1yaj h ARG 339 Ca -0.26 0.00 -0.52 0.00 -0.50 0.00 0.00 59.98 58.70 1yaj h ARG 339 Cb 1.06 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.02 1yaj h ARG 339 CO 1.23 0.55 1.79 0.09 0.00 0.00 0.00 179.97 183.63 1yaj n ASN 340 N -3.76 3.08 -3.60 7.04 4.13 -1.26 -4.82 115.26 116.08 1yaj n ASN 340 Ca -0.01 -2.72 -0.12 0.00 1.68 0.00 0.00 54.58 53.41 1yaj n ASN 340 Cb 0.58 -1.49 -0.05 0.00 -1.54 0.00 0.00 39.78 37.28 1yaj n ASN 340 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1yaj s PHE 341 N 7.53 -0.32 -0.60 3.10 5.36 -1.26 -5.11 117.98 126.68 1yaj s PHE 341 Ca 0.61 0.18 -0.27 0.00 -0.96 0.00 0.00 56.93 56.49 1yaj s PHE 341 Cb 0.07 0.31 0.01 0.00 -0.34 0.00 0.00 43.02 43.06 1yaj s PHE 341 CO 0.11 -0.67 1.52 -1.58 -1.46 0.00 0.00 175.22 173.14 1yaj s HIS 342 N -3.11 2.09 -0.15 10.12 5.65 -1.26 -4.98 115.29 123.65 1yaj s HIS 342 Ca -0.01 0.45 -0.07 0.00 0.25 0.00 0.00 55.06 55.67 1yaj s HIS 342 Cb 0.00 -4.35 -0.04 0.00 -1.18 0.00 0.00 32.58 27.01 1yaj s HIS 342 CO -0.07 -2.13 0.08 0.95 -0.65 0.00 0.00 174.74 172.92 1yaj s THR 343 N 6.83 5.01 0.26 0.89 -4.23 -1.26 -5.04 115.64 118.11 1yaj s THR 343 Ca 0.54 0.03 0.12 0.00 -1.18 0.00 0.00 61.69 61.20 1yaj s THR 343 Cb -0.11 -3.22 -0.05 0.00 1.34 0.00 0.00 72.50 70.46 1yaj s THR 343 CO 0.22 0.53 -0.20 0.68 -0.54 0.00 0.00 174.62 175.31 1yaj s VAL 344 N -0.27 2.43 -0.29 2.29 -7.23 -1.26 -4.97 120.40 111.10 1yaj s VAL 344 Ca 0.09 -2.35 -0.36 0.00 -1.81 0.00 0.00 61.98 57.55 1yaj s VAL 344 Cb -0.12 -2.26 -0.12 0.00 0.56 0.00 0.00 36.38 34.44 1yaj s VAL 344 CO 0.01 -0.37 2.05 -2.65 -0.31 0.00 0.00 175.10 173.84 1yaj n PRO 345 N -0.48 1.27 -4.52 4.82 -0.02 -1.26 -4.75 135.00 130.07 1yaj n PRO 345 Ca -0.06 0.40 -0.33 0.00 -2.02 0.00 0.00 63.50 61.48 1yaj n PRO 345 Cb 0.59 -2.42 -0.14 0.00 -0.02 0.00 0.00 33.50 31.51 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 6.06 2.90 -0.27 6.00 6.04 -0.53 -1.80 117.35 135.76 1yaj s TYR 346 Ca 1.05 -0.60 -0.02 0.00 0.04 0.00 0.00 57.07 57.55 1yaj s TYR 346 Cb -0.87 -1.92 0.03 0.00 -1.04 0.00 0.00 41.96 38.16 1yaj s TYR 346 CO 0.53 -0.22 -0.04 1.41 -1.54 0.00 0.00 175.55 175.69 1yaj s MET 347 N 0.55 2.68 -0.02 4.97 -2.45 0.23 -1.47 119.30 123.79 1yaj s MET 347 Ca -0.06 -1.08 0.01 0.00 -1.25 0.00 0.00 55.69 53.30 1yaj s MET 347 Cb -0.15 -3.05 -0.04 0.00 1.25 0.00 0.00 34.83 32.85 1yaj s MET 347 CO 0.03 -0.48 0.01 0.08 1.05 0.00 0.00 175.02 175.71 1yaj s VAL 348 N 1.29 4.24 0.12 10.11 1.01 0.71 -1.66 120.40 136.23 1yaj s VAL 348 Ca -0.02 -0.51 -0.10 0.00 0.00 0.00 0.00 61.98 61.35 1yaj s VAL 348 Cb -0.18 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.33 1yaj s VAL 348 CO -0.03 0.42 0.25 -0.83 0.00 0.00 0.00 175.10 174.91 1yaj s GLY 349 N -1.44 0.17 0.26 4.51 0.00 -0.85 -2.58 107.32 107.39 1yaj s GLY 349 Ca 0.19 -0.63 0.01 0.00 0.00 0.00 0.00 44.72 44.29 1yaj s GLY 349 CO 0.09 -0.74 0.22 -0.26 0.00 0.00 0.00 173.10 172.40 1yaj s ILE 350 N -3.89 0.00 0.21 0.90 -4.36 -1.12 -0.69 121.20 112.25 1yaj s ILE 350 Ca 0.09 -1.95 0.10 0.00 -0.26 0.00 0.00 60.65 58.63 1yaj s ILE 350 Cb 0.04 -2.49 -0.04 0.00 1.25 0.00 0.00 42.46 41.21 1yaj s ILE 350 CO -0.07 0.00 -0.16 0.20 0.24 0.00 0.00 174.94 175.14 1yaj s ASN 351 N -3.23 3.85 0.40 4.36 0.02 -1.26 -0.94 114.94 118.13 1yaj s ASN 351 Ca 0.38 -0.76 0.11 0.00 -1.02 0.00 0.00 52.86 51.57 1yaj s ASN 351 Cb 0.05 -0.48 0.91 0.00 0.02 0.00 0.00 41.25 41.74 1yaj s ASN 351 CO 0.18 0.09 1.95 0.50 0.02 0.00 0.00 177.10 179.84 1yaj h LYS 352 N 2.86 0.54 -2.65 -0.60 3.64 -1.39 -3.31 116.57 115.66 1yaj h LYS 352 Ca -0.45 -0.03 -0.60 0.00 -1.27 0.00 0.00 60.65 58.30 1yaj h LYS 352 Cb 1.22 -0.12 -0.39 0.00 -0.41 0.00 0.00 32.23 32.52 1yaj h LYS 352 CO 0.53 0.36 -0.84 -0.65 -2.27 0.00 0.00 179.45 176.58 1yaj s GLN 353 N -5.52 1.20 0.00 1.90 -0.21 -0.19 -4.98 119.66 111.86 1yaj s GLN 353 Ca -0.09 -2.18 -0.25 0.00 0.02 0.00 0.00 55.36 52.86 1yaj s GLN 353 Cb 0.20 -1.93 -0.18 0.00 1.00 0.00 0.00 33.01 32.10 1yaj s GLN 353 CO 0.76 -1.30 1.27 0.93 -2.12 0.00 0.00 175.29 174.84 1yaj h GLU 354 N 6.03 -0.19 -1.51 2.91 4.39 -1.74 -3.00 114.58 121.47 1yaj h GLU 354 Ca 0.16 0.01 -0.41 0.00 0.34 0.00 0.00 59.36 59.46 1yaj h GLU 354 Cb 0.90 0.04 -0.17 0.00 -0.10 0.00 0.00 28.75 29.42 1yaj h GLU 354 CO 0.44 0.17 0.49 0.34 -1.16 0.00 0.00 179.01 179.29 1yaj n PHE 355 N -5.01 1.83 -0.00 4.33 -0.00 -1.26 -3.53 117.46 113.82 1yaj n PHE 355 Ca -0.09 -2.14 -0.17 0.00 -0.00 0.00 0.00 57.45 55.05 1yaj n PHE 355 Cb 0.23 -1.10 -0.14 0.00 -0.00 0.00 0.00 39.48 38.48 1yaj n PHE 355 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1yaj h GLY 356 N 2.64 0.19 0.00 7.13 0.00 -1.84 -3.45 103.07 107.74 1yaj h GLY 356 Ca 0.36 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1yaj h GLY 356 CO 0.92 0.42 0.00 1.87 0.00 0.00 0.00 176.54 179.75 1yaj n TRP 357 N -4.34 -1.00 0.00 5.60 -0.00 -1.26 -4.95 117.44 111.49 1yaj n TRP 357 Ca -0.12 0.08 0.00 0.00 -0.00 0.00 0.00 57.50 57.46 1yaj n TRP 357 Cb 0.67 0.62 0.00 0.00 -0.00 0.00 0.00 31.31 32.60 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 -2.60 0.00 -0.22 5.87 7.94 -1.26 -1.29 117.00 125.44 1yaj n LEU 358 Ca 0.00 0.29 0.02 0.00 -1.11 0.00 0.00 56.01 55.21 1yaj n LEU 358 Cb 0.00 -0.01 0.13 0.00 0.53 0.00 0.00 43.42 44.07 1yaj n LEU 358 CO 0.00 -0.01 0.88 0.40 -1.11 0.00 0.00 177.39 177.55 1yaj h ILE 359 N 0.00 0.52 -0.25 1.96 2.04 -1.93 -1.62 117.51 118.23 1yaj h ILE 359 Ca 0.00 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 1yaj h ILE 359 Cb 0.00 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 1yaj h ILE 359 CO 0.00 0.03 0.09 -0.65 0.00 0.00 0.00 178.15 177.63 1yaj h PRO 360 N 0.19 0.34 0.15 2.37 0.11 -1.70 -2.07 132.00 131.40 1yaj h PRO 360 Ca 0.35 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.42 1yaj h PRO 360 Cb 0.58 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.62 1yaj h PRO 360 CO -0.51 0.29 -0.07 1.98 -0.21 0.00 0.00 178.00 179.48 1yaj h MET 361 N 0.34 -0.20 0.00 1.05 1.85 -0.34 -1.68 114.93 115.95 1yaj h MET 361 Ca 0.09 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.19 1yaj h MET 361 Cb 0.09 0.05 0.00 0.00 0.43 0.00 0.00 31.60 32.16 1yaj h MET 361 CO -0.01 0.24 0.04 1.28 -0.40 0.00 0.00 176.91 178.06 1yaj n LEU 363 N -4.91 0.46 -0.76 3.39 4.77 -0.69 -0.24 117.00 119.01 1yaj n LEU 363 Ca -0.08 0.70 0.08 0.00 -0.03 0.00 0.00 56.01 56.68 1yaj n LEU 363 Cb 0.26 -0.74 0.12 0.00 -2.33 0.00 0.00 43.42 40.73 1yaj n LEU 363 CO 0.25 -0.85 0.57 0.23 -1.33 0.00 0.00 177.39 176.26 1yaj n MET 364 N -2.12 1.76 -3.40 3.23 2.81 -0.79 -4.83 117.12 113.78 1yaj n MET 364 Ca -0.01 -1.74 -0.21 0.00 -1.81 0.00 0.00 57.70 53.93 1yaj n MET 364 Cb 0.07 -1.35 0.06 0.00 -0.71 0.00 0.00 33.22 31.29 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 0.97 -6.22 -4.82 7.83 7.64 0.67 -3.49 113.62 116.20 1yaj n SER 365 Ca 0.12 -0.81 -0.33 0.00 1.01 0.00 0.00 58.87 58.86 1yaj n SER 365 Cb 0.45 -4.58 -0.07 0.00 -1.01 0.00 0.00 64.21 59.00 1yaj n SER 365 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1yaj s TYR 366 N -3.41 3.33 -2.00 1.43 1.51 -0.66 -4.85 117.35 112.70 1yaj s TYR 366 Ca 0.46 1.59 0.08 0.00 -1.01 0.00 0.00 57.07 58.19 1yaj s TYR 366 Cb -0.10 -2.83 0.45 0.00 -0.11 0.00 0.00 41.96 39.37 1yaj s TYR 366 CO 0.78 -0.08 0.89 -2.30 -1.11 0.00 0.00 175.55 173.73 1yaj n PRO 367 N -0.57 0.48 0.00 -1.71 -0.02 -1.26 -3.95 135.00 127.96 1yaj n PRO 367 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1yaj n PRO 367 Cb 0.54 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.77 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 -0.75 0.22 -0.25 2.45 4.77 -1.26 -3.93 117.00 118.26 1yaj n LEU 368 Ca 0.06 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1yaj n LEU 368 Cb 0.03 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1yaj n LEU 368 CO 0.04 0.05 0.17 -1.54 -1.33 0.00 0.00 177.39 174.78 1yaj n SER 369 N -0.22 0.22 -0.03 -1.43 3.41 -1.25 -2.09 113.62 112.22 1yaj n SER 369 Ca 0.00 -0.88 0.04 0.00 -0.26 0.00 0.00 58.87 57.78 1yaj n SER 369 Cb 0.05 -0.11 -0.15 0.00 -0.26 0.00 0.00 64.21 63.74 1yaj n SER 369 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1yaj n GLU 370 N -0.12 0.66 0.00 4.33 -0.58 -1.25 -4.98 120.64 118.71 1yaj n GLU 370 Ca 0.00 -0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.64 1yaj n GLU 370 Cb 0.05 -1.55 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 1yaj n GLU 370 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1yaj n GLY 371 N 1.40 2.83 3.54 0.62 0.00 -0.89 -4.98 105.19 107.72 1yaj n GLY 371 Ca -0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 1yaj n GLY 371 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1yaj s GLN 372 N -0.35 1.93 -0.29 1.61 -2.07 -1.26 -4.66 119.66 114.57 1yaj s GLN 372 Ca 0.00 -2.17 -0.21 0.00 -1.82 0.00 0.00 55.36 51.17 1yaj s GLN 372 Cb 0.00 -0.78 0.17 0.00 -1.09 0.00 0.00 33.01 31.30 1yaj s GLN 372 CO 0.00 -0.42 1.18 -1.17 -1.32 0.00 0.00 175.29 173.57 1yaj s LEU 373 N -3.63 -0.27 0.33 2.60 0.20 -0.27 -4.92 118.68 112.73 1yaj s LEU 373 Ca 0.23 0.47 0.08 0.00 0.69 0.00 0.00 54.13 55.59 1yaj s LEU 373 Cb 0.03 1.45 -0.03 0.00 -0.43 0.00 0.00 46.19 47.21 1yaj s LEU 373 CO 0.13 -0.08 0.26 1.51 -0.29 0.00 0.00 176.35 177.88 1yaj s ASP 374 N 0.66 5.16 0.09 3.68 -4.77 -1.26 -4.37 116.67 115.85 1yaj s ASP 374 Ca -0.02 -0.55 -0.26 0.00 -3.30 0.00 0.00 52.55 48.42 1yaj s ASP 374 Cb -0.04 -0.93 -0.10 0.00 -1.09 0.00 0.00 42.92 40.77 1yaj s ASP 374 CO -0.12 -0.33 1.42 1.56 0.70 0.00 0.00 175.17 178.39 1yaj h GLN 375 N 1.32 -0.43 -0.16 2.11 1.08 -1.97 -0.23 115.11 116.83 1yaj h GLN 375 Ca -0.45 0.03 0.05 0.00 -1.45 0.00 0.00 58.65 56.83 1yaj h GLN 375 Cb 1.25 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.77 1yaj h GLN 375 CO 0.59 -0.29 0.17 -0.22 -0.95 0.00 0.00 178.83 178.14 1yaj h LYS 376 N -0.45 0.00 0.00 1.46 3.64 -1.99 0.34 116.57 119.57 1yaj h LYS 376 Ca 0.02 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.28 1yaj h LYS 376 Cb 0.52 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 1yaj h LYS 376 CO -0.33 0.00 -0.69 1.15 -2.27 0.00 0.00 179.45 177.31 1yaj h THR 377 N 0.00 0.89 -0.00 1.00 2.02 -1.76 -3.04 112.91 112.02 1yaj h THR 377 Ca 0.08 -2.30 -0.00 0.00 0.77 0.00 0.00 66.41 64.95 1yaj h THR 377 Cb 0.42 2.41 0.00 0.00 -1.74 0.00 0.00 68.15 69.24 1yaj h THR 377 CO -0.00 0.51 -0.00 0.00 0.37 0.00 0.00 175.52 176.40 1yaj h ALA 378 N 1.44 0.00 0.00 6.16 0.00 0.14 -1.42 119.26 125.57 1yaj h ALA 378 Ca -0.03 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1yaj h ALA 378 Cb 1.45 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 1yaj h ALA 378 CO 0.07 -0.16 -0.02 0.52 0.00 0.00 0.00 179.25 179.66 1yaj h MET 379 N -0.68 0.00 0.00 0.00 2.07 -1.25 0.11 114.93 115.18 1yaj h MET 379 Ca -0.00 0.00 -0.19 0.00 -2.07 0.00 0.00 59.70 57.44 1yaj h MET 379 Cb 0.68 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 30.38 1yaj h MET 379 CO 0.00 0.02 -1.04 1.03 1.07 0.00 0.00 176.91 177.99 1yaj h SER 380 N 0.00 0.00 0.50 1.22 0.87 -1.45 -3.20 113.55 111.49 1yaj h SER 380 Ca -0.00 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.26 1yaj h SER 380 Cb 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1yaj h SER 380 CO 0.00 0.81 -1.42 -0.07 -0.53 0.00 0.00 176.83 175.62 1yaj h LEU 381 N 0.00 0.45 -1.10 2.23 3.38 0.04 -3.19 115.31 117.12 1yaj h LEU 381 Ca -0.08 -0.55 -0.03 0.00 0.09 0.00 0.00 57.88 57.32 1yaj h LEU 381 Cb 1.68 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.28 1yaj h LEU 381 CO 0.09 1.44 -0.13 0.25 0.09 0.00 0.00 178.44 180.18 1yaj h LEU 382 N 0.08 0.00 0.01 1.67 5.85 -0.99 -1.91 115.31 120.02 1yaj h LEU 382 Ca -0.20 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 1yaj h LEU 382 Cb 2.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.05 1yaj h LEU 382 CO 0.19 0.13 -0.01 -0.25 -0.34 0.00 0.00 178.44 178.17 1yaj h TRP 383 N 0.00 -0.01 0.00 1.25 -0.00 -1.63 -3.12 115.95 112.44 1yaj h TRP 383 Ca -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 1yaj h TRP 383 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.87 1yaj h TRP 383 CO 0.00 0.66 0.00 1.63 -0.00 0.00 0.00 178.44 180.73 1yaj n LYS 384 N -4.77 0.04 -0.18 2.65 5.02 -1.19 -1.76 118.16 117.97 1yaj n LYS 384 Ca -0.09 0.22 0.06 0.00 -2.02 0.00 0.00 58.31 56.49 1yaj n LYS 384 Cb 0.34 -1.57 0.18 0.00 -0.02 0.00 0.00 35.03 33.96 1yaj n LYS 384 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1yaj n SER 385 N -1.65 1.97 -0.33 4.39 7.64 -0.73 -4.49 113.62 120.43 1yaj n SER 385 Ca 0.04 -1.97 0.11 0.00 1.01 0.00 0.00 58.87 58.05 1yaj n SER 385 Cb 0.23 -0.24 0.23 0.00 -1.01 0.00 0.00 64.21 63.42 1yaj n SER 385 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1yaj h TYR 386 N 2.19 -0.20 -0.18 1.43 3.20 -1.37 0.27 116.97 122.32 1yaj h TYR 386 Ca 0.00 0.07 0.05 0.00 3.14 0.00 0.00 58.73 62.00 1yaj h TYR 386 Cb 0.50 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 1yaj h TYR 386 CO 0.24 -0.41 0.17 -1.00 -1.64 0.00 0.00 178.16 175.52 1yaj h PRO 387 N 0.02 0.00 0.00 1.82 0.13 -1.79 0.39 132.00 132.57 1yaj h PRO 387 Ca 0.54 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 65.40 1yaj h PRO 387 Cb 1.01 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.10 1yaj h PRO 387 CO -0.92 0.00 -1.48 1.28 -0.23 0.00 0.00 178.00 176.65 1yaj n LEU 388 N -4.00 1.88 0.00 1.56 4.77 0.90 -4.33 117.00 117.78 1yaj n LEU 388 Ca 0.01 0.42 -0.10 0.00 -0.03 0.00 0.00 56.01 56.31 1yaj n LEU 388 Cb 0.29 -0.92 -0.14 0.00 -2.33 0.00 0.00 43.42 40.32 1yaj n LEU 388 CO 0.30 0.27 -0.40 -0.37 -1.33 0.00 0.00 177.39 175.86 1yaj h VAL 389 N -1.00 1.02 -5.82 4.08 -1.51 -1.39 -3.39 116.25 108.25 1yaj h VAL 389 Ca -0.39 -2.82 -0.39 0.00 -1.23 0.00 0.00 66.70 61.87 1yaj h VAL 389 Cb 1.31 2.54 0.14 0.00 -2.13 0.00 0.00 31.29 33.15 1yaj h VAL 389 CO -0.24 0.64 -0.71 0.00 -1.23 0.00 0.00 177.57 176.03 1yaj s ILE 391 N -3.33 5.22 0.55 0.00 1.01 -1.26 -5.07 121.20 118.31 1yaj s ILE 391 Ca 0.44 0.60 -0.19 0.00 0.00 0.00 0.00 60.65 61.50 1yaj s ILE 391 Cb -0.19 -3.61 -0.06 0.00 0.01 0.00 0.00 42.46 38.61 1yaj s ILE 391 CO 0.73 0.56 1.10 0.00 0.00 0.00 0.00 174.94 177.33 1yaj s ALA 392 N -0.79 2.72 -0.17 9.38 0.00 -1.26 -4.90 121.76 126.73 1yaj s ALA 392 Ca 0.20 0.71 0.26 0.00 0.00 0.00 0.00 51.96 53.13 1yaj s ALA 392 Cb -0.15 -3.32 1.27 0.00 0.00 0.00 0.00 23.12 20.92 1yaj s ALA 392 CO 0.09 -0.72 1.80 -0.22 0.00 0.00 0.00 175.76 176.71 1yaj h LYS 393 N 1.09 0.00 0.00 0.00 3.64 -1.97 -1.11 116.57 118.22 1yaj h LYS 393 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1yaj h LYS 393 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1yaj h LYS 393 CO 0.57 0.00 -0.78 0.93 -2.27 0.00 0.00 179.45 177.90 1yaj h GLU 394 N 0.00 0.00 0.00 1.90 4.39 -2.04 -3.32 114.58 115.51 1yaj h GLU 394 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1yaj h GLU 394 Cb 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1yaj h GLU 394 CO 0.00 0.00 -1.20 1.28 -1.16 0.00 0.00 179.01 177.93 1yaj n LEU 395 N -2.57 0.60 -0.29 1.33 4.77 -0.45 -4.46 117.00 115.93 1yaj n LEU 395 Ca 0.01 -0.16 0.11 0.00 -0.03 0.00 0.00 56.01 55.95 1yaj n LEU 395 Cb 0.52 -0.05 0.26 0.00 -2.33 0.00 0.00 43.42 41.81 1yaj n LEU 395 CO 0.38 0.10 0.90 0.40 -1.33 0.00 0.00 177.39 177.84 1yaj h ILE 396 N 0.00 0.28 0.21 -0.08 1.08 -1.57 -1.44 117.51 115.99 1yaj h ILE 396 Ca 0.00 -0.05 -0.01 0.00 -0.39 0.00 0.00 64.86 64.41 1yaj h ILE 396 Cb 0.71 0.11 0.00 0.00 -3.07 0.00 0.00 36.82 34.57 1yaj h ILE 396 CO 0.00 0.03 -0.10 -0.65 -0.69 0.00 0.00 178.15 176.74 1yaj h PRO 397 N 0.16 -0.27 -0.77 2.37 0.11 -1.84 -1.26 132.00 130.50 1yaj h PRO 397 Ca 0.52 0.02 0.11 0.00 0.11 0.00 0.00 66.00 66.76 1yaj h PRO 397 Cb 1.04 0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.16 1yaj h PRO 397 CO -0.69 -0.13 0.51 1.49 -0.21 0.00 0.00 178.00 178.97 1yaj h GLU 398 N -0.35 0.62 0.01 1.05 4.81 -1.56 0.19 114.58 119.33 1yaj h GLU 398 Ca -0.03 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1yaj h GLU 398 Cb 0.27 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1yaj h GLU 398 CO 0.05 0.41 -0.00 0.00 -0.73 0.00 0.00 179.01 178.73 1yaj h ALA 399 N 1.62 -0.01 -0.94 2.92 0.00 -1.31 -2.73 119.26 118.81 1yaj h ALA 399 Ca 0.36 -0.37 0.07 0.00 0.00 0.00 0.00 54.91 54.97 1yaj h ALA 399 Cb 0.55 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1yaj h ALA 399 CO -0.14 -0.02 0.61 1.15 0.00 0.00 0.00 179.25 180.85 1yaj h THR 400 N -0.97 1.05 -0.55 0.00 2.02 -1.04 -1.15 112.91 112.26 1yaj h THR 400 Ca -0.00 -0.36 -0.11 0.00 0.77 0.00 0.00 66.41 66.71 1yaj h THR 400 Cb 0.75 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 1yaj h THR 400 CO 0.00 0.19 -0.09 -0.08 0.37 0.00 0.00 175.52 175.91 1yaj h GLU 401 N 1.05 1.04 -0.77 6.66 4.57 -0.73 -1.74 114.58 124.65 1yaj h GLU 401 Ca 0.41 -0.37 -0.03 0.00 -1.18 0.00 0.00 59.36 58.19 1yaj h GLU 401 Cb 0.24 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.72 1yaj h GLU 401 CO -0.17 1.07 0.38 -0.22 -1.18 0.00 0.00 179.01 178.89 1yaj h LYS 402 N 0.92 1.10 0.00 1.92 1.63 -0.90 -1.36 116.57 119.89 1yaj h LYS 402 Ca 0.15 -0.15 -0.15 0.00 -0.85 0.00 0.00 60.65 59.65 1yaj h LYS 402 Cb 0.66 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 32.06 1yaj h LYS 402 CO 0.05 0.83 -1.07 0.66 -3.45 0.00 0.00 179.45 176.47 1yaj n TYR 403 N -4.33 0.85 0.08 1.91 4.02 -0.89 -4.58 117.16 114.22 1yaj n TYR 403 Ca 0.08 0.37 -0.04 0.00 -0.01 0.00 0.00 57.90 58.30 1yaj n TYR 403 Cb 0.13 -0.94 -0.07 0.00 -0.02 0.00 0.00 39.34 38.44 1yaj n TYR 403 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1yaj h LEU 404 N -1.00 0.00 -0.47 7.72 3.38 -1.46 -3.31 115.31 120.17 1yaj h LEU 404 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1yaj h LEU 404 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1yaj h LEU 404 CO -0.14 0.82 0.56 1.23 0.09 0.00 0.00 178.44 181.00 1yaj h GLY 405 N 3.22 0.00 0.00 0.83 0.00 -1.23 -3.22 103.07 102.67 1yaj h GLY 405 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1yaj h GLY 405 CO 0.10 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.25 1yaj n GLY 406 N -1.27 -2.34 3.92 4.60 0.00 -1.25 -4.85 105.19 103.99 1yaj n GLY 406 Ca -0.00 0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 1yaj n GLY 406 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yaj s THR 407 N -0.19 5.01 -0.40 2.61 2.01 -1.22 -5.01 115.64 118.45 1yaj s THR 407 Ca 0.00 -0.11 0.23 0.00 0.31 0.00 0.00 61.69 62.12 1yaj s THR 407 Cb 0.00 -3.84 -0.07 0.00 0.01 0.00 0.00 72.50 68.60 1yaj s THR 407 CO 0.00 -0.61 1.01 0.47 -0.69 0.00 0.00 174.62 174.80 1yaj n ASP 408 N -1.78 0.65 -4.60 3.53 8.00 -1.26 -4.79 116.55 116.29 1yaj n ASP 408 Ca -0.02 0.07 -0.43 0.00 0.71 0.00 0.00 54.79 55.12 1yaj n ASP 408 Cb 0.55 0.70 -0.03 0.00 -0.02 0.00 0.00 41.12 42.33 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 -4.60 5.49 0.56 -2.24 2.15 -1.26 -4.85 116.67 111.92 1yaj s ASP 409 Ca 0.01 1.84 0.32 0.00 0.43 0.00 0.00 52.55 55.16 1yaj s ASP 409 Cb 0.12 -2.51 1.47 0.00 -0.30 0.00 0.00 42.92 41.70 1yaj s ASP 409 CO 0.80 -1.94 1.83 0.71 -0.17 0.00 0.00 175.17 176.39 1yaj h THR 410 N 7.12 0.42 -0.07 1.71 1.35 -1.90 -1.48 112.91 120.05 1yaj h THR 410 Ca -0.40 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.38 1yaj h THR 410 Cb 1.23 0.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 1yaj h THR 410 CO 0.97 0.00 -0.24 0.58 -0.25 0.00 0.00 175.52 176.58 1yaj h VAL 411 N 0.00 1.43 0.00 6.82 2.07 -1.83 -0.68 116.25 124.06 1yaj h VAL 411 Ca 0.42 -1.63 -0.00 0.00 0.82 0.00 0.00 66.70 66.30 1yaj h VAL 411 Cb 1.82 2.31 -0.00 0.00 -1.52 0.00 0.00 31.29 33.90 1yaj h VAL 411 CO -0.00 0.46 -0.01 0.11 0.02 0.00 0.00 177.57 178.15 1yaj h LYS 412 N -0.23 0.00 0.00 1.57 1.57 -1.66 -0.65 116.57 117.17 1yaj h LYS 412 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1yaj h LYS 412 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1yaj h LYS 412 CO 0.05 0.01 0.00 1.63 -0.57 0.00 0.00 179.45 180.57 1yaj n LYS 413 N -3.11 0.19 -0.00 3.15 5.02 -0.76 -2.31 118.16 120.33 1yaj n LYS 413 Ca 0.00 0.30 -0.22 0.00 -2.02 0.00 0.00 58.31 56.38 1yaj n LYS 413 Cb 0.28 -1.79 -0.14 0.00 -0.02 0.00 0.00 35.03 33.37 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 0.23 -0.01 1.97 3.11 -0.99 -3.06 116.57 117.83 1yaj h LYS 414 Ca 0.00 -0.39 -0.04 0.00 -2.81 0.00 0.00 60.65 57.41 1yaj h LYS 414 Cb 0.50 0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 31.87 1yaj h LYS 414 CO 0.00 1.19 -0.18 -0.44 -2.81 0.00 0.00 179.45 177.21 1yaj h ASP 415 N -0.28 0.01 1.09 4.20 3.32 -1.38 -1.61 116.42 121.77 1yaj h ASP 415 Ca -0.34 -0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.53 1yaj h ASP 415 Cb 1.79 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 41.31 1yaj h ASP 415 CO 0.04 0.19 -0.94 -0.07 -1.72 0.00 0.00 179.24 176.74 1yaj h LEU 416 N 0.01 0.00 -0.57 1.55 3.38 -1.59 -1.92 115.31 116.17 1yaj h LEU 416 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1yaj h LEU 416 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1yaj h LEU 416 CO 0.02 0.80 -0.41 0.15 0.09 0.00 0.00 178.44 179.09 1yaj h PHE 417 N 0.00 0.82 -0.29 1.13 3.57 -1.27 0.70 116.94 121.60 1yaj h PHE 417 Ca -0.05 -0.25 -0.15 0.00 3.53 0.00 0.00 57.97 61.06 1yaj h PHE 417 Cb 1.65 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 40.21 1yaj h PHE 417 CO 0.00 0.98 -0.40 -0.07 -2.23 0.00 0.00 178.31 176.59 1yaj h LEU 418 N 0.56 0.86 -0.88 0.59 3.38 -1.34 -2.15 115.31 116.33 1yaj h LEU 418 Ca 0.04 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 1yaj h LEU 418 Cb 0.95 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 1yaj h LEU 418 CO 0.09 1.19 0.48 0.44 0.09 0.00 0.00 178.44 180.73 1yaj h ASP 419 N 0.54 1.10 0.12 -0.43 3.32 -0.98 -1.70 116.42 118.39 1yaj h ASP 419 Ca 0.03 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 56.99 1yaj h ASP 419 Cb 1.00 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 40.22 1yaj h ASP 419 CO 0.09 0.88 -0.51 0.25 -1.72 0.00 0.00 179.24 178.23 1yaj h LEU 420 N 1.22 -1.53 -1.02 1.55 7.12 0.70 -0.42 115.31 122.93 1yaj h LEU 420 Ca 0.31 0.16 0.10 0.00 0.13 0.00 0.00 57.88 58.59 1yaj h LEU 420 Cb 0.03 0.57 -0.08 0.00 -0.53 0.00 0.00 40.66 40.65 1yaj h LEU 420 CO -0.05 -0.55 0.64 0.40 -0.13 0.00 0.00 178.44 178.75 1yaj h ILE 421 N -0.74 0.97 0.33 4.05 2.04 -1.07 -2.52 117.51 120.57 1yaj h ILE 421 Ca -0.00 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1yaj h ILE 421 Cb 0.75 -0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 1yaj h ILE 421 CO -0.28 0.19 -0.45 0.00 0.00 0.00 0.00 178.15 177.61 1yaj h ALA 422 N 1.52 -0.93 -0.59 1.87 0.00 -0.20 0.46 119.26 121.38 1yaj h ALA 422 Ca 0.48 -0.14 0.17 0.00 0.00 0.00 0.00 54.91 55.42 1yaj h ALA 422 Cb 0.40 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1yaj h ALA 422 CO -0.24 -1.07 0.54 -0.44 0.00 0.00 0.00 179.25 178.04 1yaj h ASP 423 N -0.83 0.00 0.32 0.00 5.19 -0.75 0.34 116.42 120.70 1yaj h ASP 423 Ca -0.02 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.06 1yaj h ASP 423 Cb 0.76 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.26 1yaj h ASP 423 CO -0.13 0.00 -1.72 0.58 -3.12 0.00 0.00 179.24 174.84 1yaj h VAL 424 N 0.00 0.93 0.12 -1.35 2.07 -1.04 0.36 116.25 117.34 1yaj h VAL 424 Ca 0.28 -2.61 -0.29 0.00 0.82 0.00 0.00 66.70 64.91 1yaj h VAL 424 Cb 1.35 2.64 -0.00 0.00 -1.52 0.00 0.00 31.29 33.76 1yaj h VAL 424 CO -0.00 0.80 -1.36 0.24 0.02 0.00 0.00 177.57 177.27 1yaj h MET 425 N 0.07 0.25 0.00 1.57 2.86 0.54 -3.42 114.93 116.80 1yaj h MET 425 Ca -0.32 -0.43 0.00 0.00 -2.06 0.00 0.00 59.70 56.89 1yaj h MET 425 Cb 2.04 0.16 0.00 0.00 0.06 0.00 0.00 31.60 33.86 1yaj h MET 425 CO 0.13 1.16 -0.26 1.19 1.06 0.00 0.00 176.91 180.19 1yaj n PHE 426 N -3.49 0.00 0.00 -0.22 3.01 0.11 -4.68 117.46 112.19 1yaj n PHE 426 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.34 1yaj n PHE 426 Cb 1.03 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.50 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 1.27 -1.65 0.32 1.37 0.00 -0.37 -2.05 105.19 104.08 1yaj n GLY 427 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 0.23 -0.30 1.61 2.07 -0.56 -2.82 116.25 116.48 1yaj h VAL 428 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1yaj h VAL 428 Cb 0.00 0.23 -0.06 0.00 -1.52 0.00 0.00 31.29 29.95 1yaj h VAL 428 CO 0.00 0.00 -0.39 -0.65 0.02 0.00 0.00 177.57 176.55 1yaj h PRO 429 N -0.15 -0.26 -1.07 1.57 0.11 -1.74 0.42 132.00 130.89 1yaj h PRO 429 Ca 0.23 0.02 0.28 0.00 0.11 0.00 0.00 66.00 66.64 1yaj h PRO 429 Cb 0.53 0.06 -0.10 0.00 0.11 0.00 0.00 31.00 31.59 1yaj h PRO 429 CO -0.63 -0.17 0.68 0.77 -0.21 0.00 0.00 178.00 178.44 1yaj h SER 430 N -0.27 0.44 0.02 -2.05 0.02 -1.24 0.29 113.55 110.76 1yaj h SER 430 Ca 0.05 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1yaj h SER 430 Cb 0.41 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1yaj h SER 430 CO -0.43 0.05 -0.01 0.58 -1.14 0.00 0.00 176.83 175.88 1yaj h VAL 431 N 0.37 1.45 -1.00 2.27 2.07 -0.70 -2.42 116.25 118.29 1yaj h VAL 431 Ca 0.63 -1.85 0.20 0.00 0.82 0.00 0.00 66.70 66.50 1yaj h VAL 431 Cb 1.60 2.62 -0.11 0.00 -1.52 0.00 0.00 31.29 33.89 1yaj h VAL 431 CO -0.33 0.45 0.61 0.40 0.02 0.00 0.00 177.57 178.72 1yaj h ILE 432 N -0.88 0.67 -0.32 4.57 2.04 0.68 0.11 117.51 124.38 1yaj h ILE 432 Ca -0.00 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 1yaj h ILE 432 Cb 0.76 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 1yaj h ILE 432 CO 0.00 0.13 0.12 0.58 0.00 0.00 0.00 178.15 178.98 1yaj h VAL 433 N 0.69 1.19 -0.80 1.67 2.07 -0.98 -2.03 116.25 118.06 1yaj h VAL 433 Ca 0.58 -0.59 0.08 0.00 0.82 0.00 0.00 66.70 67.59 1yaj h VAL 433 Cb 1.01 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 1yaj h VAL 433 CO -0.37 0.20 0.52 0.00 0.02 0.00 0.00 177.57 177.94 1yaj h ALA 434 N 0.96 1.68 -0.11 1.67 0.00 -0.31 -0.75 119.26 122.40 1yaj h ALA 434 Ca 0.11 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1yaj h ALA 434 Cb 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1yaj h ALA 434 CO -0.01 0.18 -0.57 0.00 0.00 0.00 0.00 179.25 178.85 1yaj h ARG 435 N 0.82 0.36 0.00 0.00 3.08 -0.90 -0.37 114.38 117.36 1yaj h ARG 435 Ca 0.35 -0.23 -0.10 0.00 0.07 0.00 0.00 59.98 60.07 1yaj h ARG 435 Cb 0.32 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 1yaj h ARG 435 CO -0.13 0.83 -0.49 -0.91 -1.07 0.00 0.00 179.97 178.20 1yaj h ASN 436 N 0.27 0.00 0.13 7.04 4.21 -0.62 -0.86 115.58 125.75 1yaj h ASN 436 Ca -0.00 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 57.33 1yaj h ASN 436 Cb 1.08 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 38.31 1yaj h ASN 436 CO 0.10 0.49 -0.79 -0.74 -1.29 0.00 0.00 177.43 175.20 1yaj h HIS 437 N 0.00 0.54 0.72 1.19 2.76 -0.96 -2.14 115.15 117.26 1yaj h HIS 437 Ca -0.00 -0.39 -0.03 0.00 -2.20 0.00 0.00 60.37 57.75 1yaj h HIS 437 Cb 1.26 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 30.19 1yaj h HIS 437 CO 0.00 1.30 -0.47 -0.09 -1.30 0.00 0.00 177.93 177.37 1yaj h ARG 438 N -0.37 -1.08 -0.70 5.26 2.43 -1.11 -2.89 114.38 115.94 1yaj h ARG 438 Ca -0.14 0.07 0.15 0.00 -0.81 0.00 0.00 59.98 59.26 1yaj h ARG 438 Cb 1.62 0.24 -0.11 0.00 -0.42 0.00 0.00 29.97 31.31 1yaj h ARG 438 CO 0.15 -0.72 0.12 -0.44 -1.51 0.00 0.00 179.97 177.57 1yaj h ASP 439 N -1.12 -0.07 0.00 -3.80 3.32 -1.25 0.92 116.42 114.41 1yaj h ASP 439 Ca -0.09 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1yaj h ASP 439 Cb 0.91 0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1yaj h ASP 439 CO 0.08 -0.06 0.00 0.00 -1.72 0.00 0.00 179.24 177.54 1yaj n ALA 440 N -2.70 1.52 -2.07 3.45 0.00 -0.81 -4.76 120.51 115.15 1yaj n ALA 440 Ca 0.12 -0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.54 1yaj n ALA 440 Cb 0.42 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.70 -2.15 3.63 0.00 0.00 0.32 -4.98 105.19 101.31 1yaj n GLY 441 Ca 0.00 0.30 -0.11 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.26 -1.92 -0.47 4.61 0.00 -1.00 -4.97 121.76 116.76 1yaj s ALA 442 Ca 0.06 1.91 -0.29 0.00 0.00 0.00 0.00 51.96 53.64 1yaj s ALA 442 Cb -0.02 -1.36 -0.10 0.00 0.00 0.00 0.00 23.12 21.65 1yaj s ALA 442 CO 0.35 -0.26 2.36 -2.30 0.00 0.00 0.00 175.76 175.90 1yaj n PRO 443 N 2.32 1.10 -4.17 0.00 -0.02 -1.26 -4.28 135.00 128.69 1yaj n PRO 443 Ca -0.13 0.18 -0.23 0.00 -2.02 0.00 0.00 63.50 61.30 1yaj n PRO 443 Cb 0.56 -2.90 -0.06 0.00 -0.02 0.00 0.00 33.50 31.08 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 9.79 3.62 -0.12 3.45 2.01 -1.26 -1.45 115.64 131.68 1yaj s THR 444 Ca 1.07 -1.69 -0.21 0.00 0.31 0.00 0.00 61.69 61.17 1yaj s THR 444 Cb -0.52 -3.05 0.05 0.00 0.01 0.00 0.00 72.50 68.99 1yaj s THR 444 CO 0.37 -0.31 0.51 -0.31 -0.69 0.00 0.00 174.62 174.19 1yaj s TYR 445 N -2.30 -0.50 0.04 4.92 2.02 -0.54 -2.48 117.35 118.51 1yaj s TYR 445 Ca 0.34 1.07 0.01 0.00 -0.37 0.00 0.00 57.07 58.12 1yaj s TYR 445 Cb -0.06 0.23 -0.03 0.00 -0.40 0.00 0.00 41.96 41.70 1yaj s TYR 445 CO 0.22 -0.39 -0.05 -1.64 -1.57 0.00 0.00 175.55 172.12 1yaj s MET 446 N -0.48 0.48 0.34 -0.62 -1.94 -1.25 -0.20 119.30 115.62 1yaj s MET 446 Ca -0.06 -0.82 0.01 0.00 -1.71 0.00 0.00 55.69 53.11 1yaj s MET 446 Cb -0.03 -0.06 -0.01 0.00 2.01 0.00 0.00 34.83 36.74 1yaj s MET 446 CO 0.04 -0.02 0.40 1.52 -0.01 0.00 0.00 175.02 176.96 1yaj s TYR 447 N -1.98 1.31 -0.21 -0.03 1.13 -1.07 -1.18 117.35 115.33 1yaj s TYR 447 Ca -0.08 -1.43 -0.07 0.00 -1.41 0.00 0.00 57.07 54.09 1yaj s TYR 447 Cb -0.06 -0.31 0.10 0.00 -1.10 0.00 0.00 41.96 40.59 1yaj s TYR 447 CO -0.02 -1.04 0.43 -2.00 -2.51 0.00 0.00 175.55 170.41 1yaj s GLU 448 N -3.19 0.34 0.08 -3.49 2.12 -0.89 -2.78 118.70 110.89 1yaj s GLU 448 Ca 0.34 1.03 -0.21 0.00 0.36 0.00 0.00 54.97 56.48 1yaj s GLU 448 Cb 0.01 0.31 -0.07 0.00 0.26 0.00 0.00 34.13 34.64 1yaj s GLU 448 CO 0.23 -0.28 0.63 0.12 -0.54 0.00 0.00 175.26 175.42 1yaj s PHE 449 N 2.63 3.80 -0.40 5.30 5.36 -0.12 -0.49 117.98 134.07 1yaj s PHE 449 Ca -0.01 1.36 0.03 0.00 -0.96 0.00 0.00 56.93 57.35 1yaj s PHE 449 Cb -0.12 -2.60 0.16 0.00 -0.34 0.00 0.00 43.02 40.12 1yaj s PHE 449 CO -0.13 0.51 0.35 -1.14 -1.46 0.00 0.00 175.22 173.35 1yaj s GLN 450 N -0.88 0.82 0.16 10.12 0.74 0.26 -1.85 119.66 129.02 1yaj s GLN 450 Ca 0.32 -1.72 -0.15 0.00 0.05 0.00 0.00 55.36 53.86 1yaj s GLN 450 Cb -0.20 -1.18 0.02 0.00 1.10 0.00 0.00 33.01 32.75 1yaj s GLN 450 CO 0.21 -1.33 0.42 -0.47 -0.55 0.00 0.00 175.29 173.57 1yaj s TYR 451 N 0.49 -0.06 -0.40 1.67 5.04 -1.26 -3.63 117.35 119.21 1yaj s TYR 451 Ca 0.28 -0.28 0.02 0.00 -2.44 0.00 0.00 57.07 54.65 1yaj s TYR 451 Cb -0.04 0.25 0.12 0.00 0.35 0.00 0.00 41.96 42.64 1yaj s TYR 451 CO -0.12 -0.78 0.17 0.50 -1.34 0.00 0.00 175.55 173.98 1yaj s ARG 452 N -3.86 1.24 0.57 4.97 3.52 -1.26 -0.06 118.95 124.07 1yaj s ARG 452 Ca 0.08 -1.80 -0.20 0.00 -0.13 0.00 0.00 55.73 53.67 1yaj s ARG 452 Cb 0.01 -2.49 -0.05 0.00 -1.56 0.00 0.00 34.95 30.86 1yaj s ARG 452 CO -0.07 -1.07 1.14 -0.35 -0.81 0.00 0.00 175.30 174.14 1yaj n PRO 453 N 3.96 1.22 0.00 5.12 -0.04 -1.26 -4.89 135.00 139.11 1yaj n PRO 453 Ca 0.04 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.97 1yaj n PRO 453 Cb 0.37 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 1yaj n PRO 453 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1yaj n SER 454 N -0.87 0.22 -0.01 3.54 3.41 -1.26 -2.60 113.62 116.04 1yaj n SER 454 Ca 0.13 -1.94 0.06 0.00 -0.26 0.00 0.00 58.87 56.86 1yaj n SER 454 Cb 0.46 -0.11 -0.11 0.00 -0.26 0.00 0.00 64.21 64.18 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 -0.38 0.00 -1.28 7.33 0.99 -1.26 -4.97 117.46 117.89 1yaj n PHE 455 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 57.06 1yaj n PHE 455 Cb 0.05 -0.37 0.01 0.00 -1.00 0.00 0.00 39.48 38.18 1yaj n PHE 455 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1yaj n SER 456 N -2.05 -3.30 -4.69 4.37 7.64 -1.07 -4.80 113.62 109.72 1yaj n SER 456 Ca -0.04 0.67 -0.42 0.00 1.01 0.00 0.00 58.87 60.08 1yaj n SER 456 Cb 0.43 -0.89 -0.00 0.00 -1.01 0.00 0.00 64.21 62.74 1yaj n SER 456 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1yaj n SER 457 N 2.23 2.58 0.00 6.43 2.88 -1.26 -4.80 113.62 121.68 1yaj n SER 457 Ca 0.08 1.19 0.00 0.00 -1.33 0.00 0.00 58.87 58.82 1yaj n SER 457 Cb 0.47 -1.47 0.02 0.00 -0.75 0.00 0.00 64.21 62.49 1yaj n SER 457 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1yaj n ASP 458 N 0.73 0.00 -0.11 -3.46 8.00 -1.26 -1.47 116.55 118.97 1yaj n ASP 458 Ca 0.05 -0.79 0.01 0.00 0.71 0.00 0.00 54.79 54.78 1yaj n ASP 458 Cb 0.36 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.47 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 -0.53 -0.34 -3.52 -1.24 2.81 -1.26 -4.99 117.12 108.06 1yaj n MET 459 Ca 0.01 -0.64 -0.38 0.00 -1.81 0.00 0.00 57.70 54.88 1yaj n MET 459 Cb 0.00 -1.03 -0.09 0.00 -0.71 0.00 0.00 33.22 31.38 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 -0.27 4.05 0.51 0.03 2.20 -0.54 -5.06 119.74 120.66 1yaj s LYS 460 Ca 0.03 -0.10 -0.21 0.00 -0.36 0.00 0.00 55.97 55.33 1yaj s LYS 460 Cb 0.02 -3.60 -0.08 0.00 -1.51 0.00 0.00 37.83 32.66 1yaj s LYS 460 CO 0.04 -0.10 0.85 -0.35 -0.36 0.00 0.00 175.35 175.42 1yaj n PRO 461 N 4.77 0.95 0.00 4.03 -0.04 -1.26 -4.86 135.00 138.59 1yaj n PRO 461 Ca -0.12 0.35 0.10 0.00 -0.04 0.00 0.00 63.50 63.80 1yaj n PRO 461 Cb 0.51 -1.96 0.52 0.00 -0.04 0.00 0.00 33.50 32.53 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 -0.23 0.30 0.05 0.54 5.02 -1.26 -2.28 118.16 120.30 1yaj n LYS 462 Ca 0.11 0.09 0.12 0.00 -2.02 0.00 0.00 58.31 56.62 1yaj n LYS 462 Cb 0.44 -1.50 0.26 0.00 -0.02 0.00 0.00 35.03 34.21 1yaj n LYS 462 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1yaj n THR 463 N -1.28 0.28 -2.74 -0.18 -2.24 -1.26 -4.70 114.28 102.16 1yaj n THR 463 Ca 0.10 -0.19 -0.43 0.00 -2.27 0.00 0.00 64.05 61.26 1yaj n THR 463 Cb 0.16 -0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.21 1yaj n THR 463 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1yaj s VAL 464 N -3.11 4.27 -0.11 2.28 1.01 -0.97 -5.00 120.40 118.77 1yaj s VAL 464 Ca 0.09 0.62 0.01 0.00 0.00 0.00 0.00 61.98 62.70 1yaj s VAL 464 Cb 0.15 -4.59 -0.01 0.00 0.00 0.00 0.00 36.38 31.92 1yaj s VAL 464 CO 0.68 -1.14 -0.15 -0.63 0.00 0.00 0.00 175.10 173.87 1yaj s ILE 465 N 4.28 2.91 -0.72 2.22 1.01 -1.26 -4.66 121.20 124.99 1yaj s ILE 465 Ca 0.37 -0.72 -0.03 0.00 0.00 0.00 0.00 60.65 60.27 1yaj s ILE 465 Cb -0.10 -2.20 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 1yaj s ILE 465 CO 0.23 0.54 0.62 0.61 0.00 0.00 0.00 174.94 176.94 1yaj n GLY 466 N 3.33 -0.31 3.95 6.18 0.00 0.91 -3.78 105.19 115.47 1yaj n GLY 466 Ca -0.18 0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.47 4.34 0.05 1.61 2.15 -1.25 -1.02 116.67 119.08 1yaj s ASP 467 Ca 0.20 0.21 -0.33 0.00 0.43 0.00 0.00 52.55 53.05 1yaj s ASP 467 Cb -0.03 -0.66 -0.12 0.00 -0.30 0.00 0.00 42.92 41.81 1yaj s ASP 467 CO 0.48 -1.90 1.75 1.57 -0.17 0.00 0.00 175.17 176.90 1yaj n HIS 468 N -3.07 2.36 -0.33 -5.34 -0.00 -1.23 -1.83 115.22 105.77 1yaj n HIS 468 Ca 0.11 0.08 0.00 0.00 0.46 0.00 0.00 57.72 58.37 1yaj n HIS 468 Cb 0.60 -2.63 0.00 0.00 -0.12 0.00 0.00 29.99 27.84 1yaj n HIS 468 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1yaj n GLY 469 N 3.97 2.00 0.32 1.57 0.00 -1.26 -4.89 105.19 106.91 1yaj n GLY 469 Ca 0.19 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.38 1yaj n GLY 469 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1yaj h ASP 470 N 0.00 0.00 0.88 1.61 5.19 -1.73 -1.31 116.42 121.06 1yaj h ASP 470 Ca 0.00 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.32 1yaj h ASP 470 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1yaj h ASP 470 CO 0.00 0.00 -0.45 1.05 -3.12 0.00 0.00 179.24 176.72 1yaj h GLU 471 N 0.00 0.00 -0.94 3.56 9.09 -1.90 -3.23 114.58 121.15 1yaj h GLU 471 Ca 0.05 0.00 0.19 0.00 0.05 0.00 0.00 59.36 59.65 1yaj h GLU 471 Cb 0.32 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 27.34 1yaj h GLU 471 CO -0.00 0.45 0.60 -0.07 0.05 0.00 0.00 179.01 180.04 1yaj h LEU 472 N 0.00 0.60 -1.03 3.06 3.38 -1.64 0.33 115.31 120.01 1yaj h LEU 472 Ca -0.00 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1yaj h LEU 472 Cb 1.01 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1yaj h LEU 472 CO 0.06 0.25 -0.08 -0.26 0.09 0.00 0.00 178.44 178.50 1yaj h PHE 473 N 0.61 0.64 0.35 1.13 0.05 -1.71 -0.86 116.94 117.15 1yaj h PHE 473 Ca 0.51 -0.09 -0.02 0.00 3.82 0.00 0.00 57.97 62.18 1yaj h PHE 473 Cb 0.97 -0.17 0.00 0.00 2.00 0.00 0.00 35.95 38.75 1yaj h PHE 473 CO -0.00 0.67 -0.17 0.77 -0.18 0.00 0.00 178.31 179.40 1yaj h SER 474 N 0.56 -0.40 -0.97 2.17 0.02 -0.59 0.22 113.55 114.57 1yaj h SER 474 Ca 0.11 0.01 0.30 0.00 -0.84 0.00 0.00 61.79 61.37 1yaj h SER 474 Cb 0.48 0.10 -0.15 0.00 0.14 0.00 0.00 62.40 62.97 1yaj h SER 474 CO 0.03 -0.08 0.46 0.58 -1.14 0.00 0.00 176.83 176.68 1yaj h VAL 475 N -0.88 0.28 -0.93 2.27 2.07 -1.22 0.15 116.25 118.00 1yaj h VAL 475 Ca -0.05 -0.09 -0.59 0.00 0.82 0.00 0.00 66.70 66.79 1yaj h VAL 475 Cb 0.36 -0.01 -0.29 0.00 -1.52 0.00 0.00 31.29 29.82 1yaj h VAL 475 CO 0.08 0.05 0.60 0.49 0.02 0.00 0.00 177.57 178.81 1yaj n PHE 476 N -5.12 3.00 -3.38 1.57 3.01 -0.33 -4.72 117.46 111.49 1yaj n PHE 476 Ca 0.29 -2.53 -0.10 0.00 1.01 0.00 0.00 57.45 56.11 1yaj n PHE 476 Cb 0.91 -1.15 -0.01 0.00 -0.01 0.00 0.00 39.48 39.21 1yaj n PHE 476 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yaj n GLY 477 N -0.98 -0.12 0.33 1.37 0.00 0.52 -4.76 105.19 101.56 1yaj n GLY 477 Ca 0.58 0.07 0.06 0.00 0.00 0.00 0.00 46.02 46.73 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 2.19 1.37 0.00 4.61 0.00 -0.80 -0.82 119.26 125.80 1yaj h ALA 478 Ca -0.18 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1yaj h ALA 478 Cb 0.37 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1yaj h ALA 478 CO 0.16 0.12 0.50 -1.35 0.00 0.00 0.00 179.25 178.68 1yaj h PRO 479 N 0.85 0.00 -0.17 0.00 0.11 -1.84 0.26 132.00 131.22 1yaj h PRO 479 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 1yaj h PRO 479 Cb 0.49 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.60 1yaj h PRO 479 CO -0.28 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.70 1yaj n PHE 480 N -2.57 0.19 0.00 0.65 3.01 -0.31 -4.57 117.46 113.85 1yaj n PHE 480 Ca -0.01 -0.10 0.00 0.00 1.01 0.00 0.00 57.45 58.35 1yaj n PHE 480 Cb 0.52 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.99 1yaj n PHE 480 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1yaj n LEU 481 N 1.34 1.85 -4.98 4.37 4.77 0.83 -4.98 117.00 120.19 1yaj n LEU 481 Ca 0.15 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.95 1yaj n LEU 481 Cb 0.58 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.67 1yaj n LEU 481 CO 0.15 0.31 0.13 -0.54 -1.33 0.00 0.00 177.39 176.11 1yaj s LYS 482 N -1.83 2.70 0.22 3.23 1.02 -0.58 -4.05 119.74 120.44 1yaj s LYS 482 Ca 0.00 -1.36 0.10 0.00 0.02 0.00 0.00 55.97 54.73 1yaj s LYS 482 Cb 0.00 -2.65 -0.04 0.00 -0.52 0.00 0.00 37.83 34.62 1yaj s LYS 482 CO 0.00 -0.32 -0.14 -1.21 -0.92 0.00 0.00 175.35 172.76 1yaj s GLU 483 N -4.33 1.88 0.00 1.68 2.02 -1.26 -4.71 118.70 113.98 1yaj s GLU 483 Ca 0.54 -1.47 0.00 0.00 0.02 0.00 0.00 54.97 54.06 1yaj s GLU 483 Cb -0.08 -1.99 0.00 0.00 0.10 0.00 0.00 34.13 32.16 1yaj s GLU 483 CO 0.32 0.39 0.00 0.41 0.02 0.00 0.00 175.26 176.40 1yaj n GLY 484 N -0.20 0.78 3.67 -1.39 0.00 -1.26 -5.01 105.19 101.78 1yaj n GLY 484 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 3.63 1.01 4.61 0.00 -1.26 -4.96 121.76 122.79 1yaj s ALA 485 Ca 0.00 0.99 -0.13 0.00 0.00 0.00 0.00 51.96 52.82 1yaj s ALA 485 Cb 0.00 -3.69 0.19 0.00 0.00 0.00 0.00 23.12 19.62 1yaj s ALA 485 CO 0.00 -1.20 1.10 -1.54 0.00 0.00 0.00 175.76 174.12 1yaj s SER 486 N 2.70 2.57 0.28 0.00 1.04 -1.26 -4.81 113.70 114.22 1yaj s SER 486 Ca 0.71 1.10 -0.02 0.00 0.48 0.00 0.00 55.95 58.21 1yaj s SER 486 Cb -0.34 -1.73 0.40 0.00 0.10 0.00 0.00 66.02 64.44 1yaj s SER 486 CO 0.29 -3.16 1.90 -0.08 0.98 0.00 0.00 173.24 173.17 1yaj h GLU 487 N -1.91 1.01 0.80 4.02 4.57 -2.00 -2.55 114.58 118.52 1yaj h GLU 487 Ca -0.54 -0.12 -0.04 0.00 -1.18 0.00 0.00 59.36 57.48 1yaj h GLU 487 Cb 1.33 -0.20 0.01 0.00 -0.16 0.00 0.00 28.75 29.73 1yaj h GLU 487 CO 0.57 0.76 -0.39 1.49 -1.18 0.00 0.00 179.01 180.27 1yaj h GLU 488 N 1.01 -1.04 -0.84 1.92 4.81 -1.99 -2.53 114.58 115.92 1yaj h GLU 488 Ca 0.25 0.07 0.16 0.00 -0.13 0.00 0.00 59.36 59.71 1yaj h GLU 488 Cb 0.06 0.24 -0.15 0.00 0.63 0.00 0.00 28.75 29.52 1yaj h GLU 488 CO -0.04 -0.68 -0.27 1.49 -0.73 0.00 0.00 179.01 178.78 1yaj h GLU 489 N -1.16 -0.03 0.30 1.92 4.57 -1.89 0.32 114.58 118.62 1yaj h GLU 489 Ca -0.11 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1yaj h GLU 489 Cb 0.84 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.41 1yaj h GLU 489 CO 0.18 -0.02 -0.33 0.82 -1.18 0.00 0.00 179.01 178.49 1yaj h ILE 490 N -0.03 0.32 -0.55 2.32 2.04 -1.44 0.29 117.51 120.46 1yaj h ILE 490 Ca 0.37 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.34 1yaj h ILE 490 Cb 0.61 0.32 -0.09 0.00 -0.74 0.00 0.00 36.82 36.92 1yaj h ILE 490 CO -0.87 0.00 0.01 -0.09 0.00 0.00 0.00 178.15 177.20 1yaj h ARG 491 N -0.67 0.12 -0.29 2.37 2.43 -0.60 -0.28 114.38 117.46 1yaj h ARG 491 Ca -0.01 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.20 1yaj h ARG 491 Cb 0.62 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.10 1yaj h ARG 491 CO -0.08 0.08 0.03 1.25 -1.51 0.00 0.00 179.97 179.75 1yaj h LEU 492 N 0.13 -0.04 -0.33 3.80 5.85 0.04 -1.70 115.31 123.05 1yaj h LEU 492 Ca 0.28 0.06 0.04 0.00 0.84 0.00 0.00 57.88 59.10 1yaj h LEU 492 Cb 0.43 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 1yaj h LEU 492 CO -0.45 0.01 0.08 -1.28 -0.34 0.00 0.00 178.44 176.46 1yaj h SER 493 N 0.13 0.05 -0.26 1.25 0.87 0.76 -1.30 113.55 115.05 1yaj h SER 493 Ca 0.14 0.05 0.06 0.00 -1.23 0.00 0.00 61.79 60.80 1yaj h SER 493 Cb 0.16 0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 62.12 1yaj h SER 493 CO -0.21 0.06 -0.11 0.11 -0.53 0.00 0.00 176.83 176.16 1yaj h LYS 494 N 0.21 -0.07 -0.37 2.24 1.57 -0.90 0.28 116.57 119.54 1yaj h LYS 494 Ca 0.15 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 59.00 1yaj h LYS 494 Cb 0.16 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.43 1yaj h LYS 494 CO -0.19 -0.04 0.05 1.98 -0.57 0.00 0.00 179.45 180.68 1yaj h MET 495 N -0.07 0.17 0.03 3.15 4.05 -0.86 0.87 114.93 122.27 1yaj h MET 495 Ca 0.13 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.54 1yaj h MET 495 Cb 0.27 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.03 1yaj h MET 495 CO -0.31 0.11 -0.02 0.28 0.23 0.00 0.00 176.91 177.21 1yaj h VAL 496 N 0.17 1.14 -0.29 -5.77 2.07 -0.42 -1.83 116.25 111.33 1yaj h VAL 496 Ca 0.18 -0.56 0.07 0.00 0.82 0.00 0.00 66.70 67.20 1yaj h VAL 496 Cb 0.22 1.51 -0.07 0.00 -1.52 0.00 0.00 31.29 31.43 1yaj h VAL 496 CO -0.25 0.14 -0.18 0.24 0.02 0.00 0.00 177.57 177.55 1yaj h MET 497 N -0.29 -0.15 -0.42 1.57 2.07 -0.20 -0.47 114.93 117.03 1yaj h MET 497 Ca -0.00 0.01 0.09 0.00 -2.07 0.00 0.00 59.70 57.72 1yaj h MET 497 Cb 0.27 0.03 -0.09 0.00 -1.87 0.00 0.00 31.60 29.94 1yaj h MET 497 CO 0.01 -0.10 -0.20 0.87 1.07 0.00 0.00 176.91 178.56 1yaj h LYS 498 N -0.15 -0.11 0.50 1.72 1.79 -0.62 -0.17 116.57 119.53 1yaj h LYS 498 Ca 0.15 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.62 1yaj h LYS 498 Cb 0.39 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.04 1yaj h LYS 498 CO -0.38 -0.08 -0.49 0.74 -1.08 0.00 0.00 179.45 178.16 1yaj h PHE 499 N -0.12 -1.36 -0.74 -1.35 0.05 -0.64 0.49 116.94 113.28 1yaj h PHE 499 Ca 0.20 0.01 0.12 0.00 3.82 0.00 0.00 57.97 62.12 1yaj h PHE 499 Cb 0.44 0.53 -0.13 0.00 2.00 0.00 0.00 35.95 38.79 1yaj h PHE 499 CO -0.45 -0.66 -0.39 -1.49 -0.18 0.00 0.00 178.31 175.14 1yaj h TRP 500 N -0.99 -1.10 -0.01 -0.55 -0.00 -0.44 0.42 115.95 113.28 1yaj h TRP 500 Ca -0.06 0.09 0.00 0.00 -0.00 0.00 0.00 58.89 58.92 1yaj h TRP 500 Cb 0.86 0.59 -0.00 0.00 -0.00 0.00 0.00 29.16 30.61 1yaj h TRP 500 CO -0.25 -0.40 0.01 0.00 -0.00 0.00 0.00 178.44 177.80 1yaj h ALA 501 N 1.01 0.01 -0.88 1.49 0.00 -0.81 0.18 119.26 120.27 1yaj h ALA 501 Ca 0.25 -0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.37 1yaj h ALA 501 Cb 0.56 -0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.22 1yaj h ALA 501 CO -0.79 -0.48 0.33 -0.91 0.00 0.00 0.00 179.25 177.40 1yaj h ASN 502 N -0.01 0.20 -0.22 0.00 4.21 0.29 0.93 115.58 120.99 1yaj h ASN 502 Ca 0.00 0.17 -0.16 0.00 1.21 0.00 0.00 56.30 57.52 1yaj h ASN 502 Cb 0.02 0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.40 1yaj h ASN 502 CO -0.00 -0.05 -0.44 0.15 -1.29 0.00 0.00 177.43 175.80 1yaj h PHE 503 N 0.33 0.94 0.00 1.19 3.57 0.43 -0.97 116.94 122.43 1yaj h PHE 503 Ca 0.55 -0.29 -0.04 0.00 3.53 0.00 0.00 57.97 61.71 1yaj h PHE 503 Cb 1.05 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 1yaj h PHE 503 CO -0.18 1.07 -0.18 0.00 -2.23 0.00 0.00 178.31 176.78 1yaj h ALA 504 N 0.88 1.37 0.14 2.41 0.00 0.36 1.33 119.26 125.75 1yaj h ALA 504 Ca 0.04 -0.17 -0.35 0.00 0.00 0.00 0.00 54.91 54.43 1yaj h ALA 504 Cb 1.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1yaj h ALA 504 CO 0.10 0.23 -1.85 0.00 0.00 0.00 0.00 179.25 177.73 1yaj h ARG 505 N 0.00 0.30 0.00 0.00 3.08 0.33 -3.42 114.38 114.67 1yaj h ARG 505 Ca -0.00 -0.52 0.00 0.00 0.07 0.00 0.00 59.98 59.53 1yaj h ARG 505 Cb 0.42 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1yaj h ARG 505 CO 0.02 1.21 0.00 0.09 -1.07 0.00 0.00 179.97 180.23 1yaj n ASN 506 N -3.50 0.89 -3.41 7.04 3.02 -0.39 -4.98 115.26 113.93 1yaj n ASN 506 Ca -0.27 -1.42 -0.25 0.00 -0.03 0.00 0.00 54.58 52.61 1yaj n ASN 506 Cb 1.06 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 40.25 1yaj n ASN 506 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yaj n GLY 507 N -0.21 -0.51 3.23 7.41 0.00 0.46 -4.91 105.19 110.66 1yaj n GLY 507 Ca 0.00 0.14 0.02 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.91 -1.28 0.13 1.61 3.84 -1.25 -4.91 114.94 110.17 1yaj s ASN 508 Ca 0.45 0.98 -0.16 0.00 0.21 0.00 0.00 52.86 54.35 1yaj s ASN 508 Cb -0.22 2.15 -0.00 0.00 -0.55 0.00 0.00 41.25 42.62 1yaj s ASN 508 CO 0.56 -0.25 1.67 1.55 -2.79 0.00 0.00 177.10 177.84 1yaj h PRO 509 N 8.01 0.61 -6.09 0.43 0.13 -1.81 -3.20 132.00 130.08 1yaj h PRO 509 Ca -0.22 -0.12 -0.66 0.00 -0.87 0.00 0.00 66.00 64.14 1yaj h PRO 509 Cb 1.15 -0.10 0.11 0.00 0.13 0.00 0.00 31.00 32.29 1yaj h PRO 509 CO 0.23 0.58 -0.43 0.09 -0.23 0.00 0.00 178.00 178.25 1yaj n ASN 510 N -4.63 -0.85 -3.65 1.44 3.02 -1.26 -4.51 115.26 104.82 1yaj n ASN 510 Ca -0.00 1.12 -0.08 0.00 -0.03 0.00 0.00 54.58 55.60 1yaj n ASN 510 Cb 0.15 -1.01 -0.02 0.00 -0.61 0.00 0.00 39.78 38.30 1yaj n ASN 510 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1yaj s GLY 511 N -0.92 -0.34 0.15 7.41 0.00 -1.26 -4.96 107.32 107.39 1yaj s GLY 511 Ca 0.63 0.28 -0.31 0.00 0.00 0.00 0.00 44.72 45.32 1yaj s GLY 511 CO 0.57 0.09 1.67 1.85 0.00 0.00 0.00 173.10 177.27 1yaj s GLU 512 N -3.54 4.18 -0.13 2.90 2.12 -1.26 -2.59 118.70 120.38 1yaj s GLU 512 Ca 0.08 2.45 -0.00 0.00 0.36 0.00 0.00 54.97 57.85 1yaj s GLU 512 Cb -0.02 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 31.06 1yaj s GLU 512 CO -0.03 -0.71 0.05 0.41 -0.54 0.00 0.00 175.26 174.44 1yaj n GLY 513 N 3.94 0.57 3.17 -1.50 0.00 -1.26 -5.06 105.19 105.04 1yaj n GLY 513 Ca 0.15 -0.71 -0.12 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.99 0.63 0.27 0.99 1.43 -1.07 -5.09 118.68 114.85 1yaj s LEU 514 Ca 0.02 0.62 -0.28 0.00 -1.03 0.00 0.00 54.13 53.46 1yaj s LEU 514 Cb -0.01 1.00 -0.15 0.00 0.03 0.00 0.00 46.19 47.06 1yaj s LEU 514 CO 0.03 -0.13 0.92 -2.65 0.23 0.00 0.00 176.35 174.75 1yaj n PRO 515 N 3.41 1.11 -1.99 1.29 -0.02 -1.26 -4.63 135.00 132.90 1yaj n PRO 515 Ca -0.17 0.39 -0.42 0.00 -2.02 0.00 0.00 63.50 61.28 1yaj n PRO 515 Cb 0.56 -1.69 -0.03 0.00 -0.02 0.00 0.00 33.50 32.32 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 -1.05 3.10 -0.38 6.00 2.46 -1.26 -4.84 115.29 119.32 1yaj s HIS 516 Ca 0.60 0.74 -0.07 0.00 0.47 0.00 0.00 55.06 56.79 1yaj s HIS 516 Cb -0.74 -3.86 0.06 0.00 -0.13 0.00 0.00 32.58 27.91 1yaj s HIS 516 CO 0.59 -3.12 0.17 -0.46 -2.47 0.00 0.00 174.74 169.45 1yaj s TRP 517 N 1.01 3.33 0.37 3.88 -0.11 -1.26 -4.65 118.94 121.51 1yaj s TRP 517 Ca 0.68 -1.62 -0.28 0.00 1.22 0.00 0.00 56.10 56.09 1yaj s TRP 517 Cb -0.42 -2.66 -0.11 0.00 -1.50 0.00 0.00 33.47 28.78 1yaj s TRP 517 CO 0.32 -0.81 1.52 -0.35 -4.62 0.00 0.00 176.95 173.01 1yaj n PRO 518 N 4.81 2.71 -2.18 5.86 -0.04 -1.26 -4.74 135.00 140.16 1yaj n PRO 518 Ca -0.10 0.95 -0.43 0.00 -0.04 0.00 0.00 63.50 63.89 1yaj n PRO 518 Cb 0.43 -2.70 -0.02 0.00 -0.04 0.00 0.00 33.50 31.17 1yaj n PRO 518 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1yaj s GLU 519 N -1.87 3.99 -0.70 0.54 2.12 -1.26 -4.56 118.70 116.97 1yaj s GLU 519 Ca 0.55 1.75 -0.25 0.00 0.36 0.00 0.00 54.97 57.38 1yaj s GLU 519 Cb -0.47 -3.95 -0.13 0.00 0.26 0.00 0.00 34.13 29.84 1yaj s GLU 519 CO 0.62 -1.04 2.42 0.98 -0.54 0.00 0.00 175.26 177.69 1yaj n TYR 520 N 7.65 1.18 -2.24 5.30 9.36 -1.03 -4.38 117.16 133.01 1yaj n TYR 520 Ca 0.17 0.05 0.00 0.00 3.32 0.00 0.00 57.90 61.44 1yaj n TYR 520 Cb 0.45 -2.51 0.00 0.00 -0.63 0.00 0.00 39.34 36.64 1yaj n TYR 520 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1yaj n ASN 521 N 16.75 0.70 0.16 2.98 0.23 -1.26 -4.41 115.26 130.40 1yaj n ASN 521 Ca 0.45 0.00 0.19 0.00 -0.53 0.00 0.00 54.58 54.69 1yaj n ASN 521 Cb 0.44 0.00 0.79 0.00 -2.08 0.00 0.00 39.78 38.93 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 -0.04 -3.83 1.08 -1.99 0.93 115.11 111.25 1yaj h GLN 522 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1yaj h GLN 522 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1yaj h GLN 522 CO 0.00 0.00 0.00 1.17 -0.95 0.00 0.00 178.83 179.05 1yaj n LYS 523 N -3.64 1.26 -3.96 1.46 3.00 -1.26 -4.92 118.16 110.10 1yaj n LYS 523 Ca 0.04 -0.38 -0.33 0.00 -0.00 0.00 0.00 58.31 57.64 1yaj n LYS 523 Cb 0.48 -1.37 -0.00 0.00 0.00 0.00 0.00 35.03 34.14 1yaj n LYS 523 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1yaj n GLU 524 N -0.44 -1.64 -2.74 1.64 1.02 0.32 -3.91 120.64 114.90 1yaj n GLU 524 Ca 0.17 0.30 -0.42 0.00 -0.02 0.00 0.00 57.16 57.18 1yaj n GLU 524 Cb 0.17 -3.81 -0.03 0.00 -0.02 0.00 0.00 31.44 27.76 1yaj n GLU 524 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1yaj s GLY 525 N -3.92 2.13 0.14 0.62 0.00 -1.26 -1.96 107.32 103.07 1yaj s GLY 525 Ca 0.25 0.23 0.04 0.00 0.00 0.00 0.00 44.72 45.25 1yaj s GLY 525 CO 0.92 1.91 -0.10 -2.52 0.00 0.00 0.00 173.10 173.30 1yaj s TYR 526 N 2.33 1.23 -0.16 1.90 -0.85 -0.81 -2.92 117.35 118.07 1yaj s TYR 526 Ca 0.44 -0.74 -0.05 0.00 -0.52 0.00 0.00 57.07 56.21 1yaj s TYR 526 Cb -0.17 -0.64 -0.03 0.00 0.38 0.00 0.00 41.96 41.50 1yaj s TYR 526 CO 0.14 0.07 -0.00 -1.17 -1.52 0.00 0.00 175.55 173.06 1yaj s LEU 527 N -3.02 3.47 -0.27 -3.49 2.96 -0.32 -1.13 118.68 116.88 1yaj s LEU 527 Ca 0.15 -0.03 -0.21 0.00 -0.22 0.00 0.00 54.13 53.82 1yaj s LEU 527 Cb 0.01 -1.84 -0.01 0.00 0.50 0.00 0.00 46.19 44.85 1yaj s LEU 527 CO 0.00 0.20 0.65 -1.10 -1.32 0.00 0.00 176.35 174.78 1yaj s GLN 528 N 0.21 4.04 -0.07 1.98 -0.21 0.14 -2.10 119.66 123.65 1yaj s GLN 528 Ca 0.00 0.49 -0.01 0.00 0.02 0.00 0.00 55.36 55.86 1yaj s GLN 528 Cb -0.13 -3.68 -0.03 0.00 1.00 0.00 0.00 33.01 30.17 1yaj s GLN 528 CO 0.02 -0.49 -0.00 0.42 -2.12 0.00 0.00 175.29 173.12 1yaj s ILE 529 N 2.58 4.25 -2.65 1.08 1.01 0.36 -2.78 121.20 125.06 1yaj s ILE 529 Ca 0.27 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.59 1yaj s ILE 529 Cb -0.15 -2.81 0.00 0.00 0.01 0.00 0.00 42.46 39.51 1yaj s ILE 529 CO 0.10 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.21 1yaj n GLY 530 N 2.00 -0.59 0.00 6.18 0.00 -1.26 0.90 105.19 112.42 1yaj n GLY 530 Ca -0.18 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1yaj n GLY 530 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj n ALA 531 N 0.00 0.00 -2.53 4.61 0.00 -1.24 -3.97 120.51 117.38 1yaj n ALA 531 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1yaj n ALA 531 Cb 0.00 0.08 -0.07 0.00 0.00 0.00 0.00 19.45 19.46 1yaj n ALA 531 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1yaj s ASN 532 N -2.61 6.33 -0.33 0.00 4.22 -1.26 -5.02 114.94 116.28 1yaj s ASN 532 Ca 0.00 -0.24 -0.27 0.00 -2.14 0.00 0.00 52.86 50.21 1yaj s ASN 532 Cb 0.00 -2.31 0.01 0.00 1.28 0.00 0.00 41.25 40.24 1yaj s ASN 532 CO 0.00 -0.70 0.98 -0.89 -2.04 0.00 0.00 177.10 174.45 1yaj s THR 533 N 2.70 4.59 0.19 0.54 2.01 -1.25 -4.92 115.64 119.49 1yaj s THR 533 Ca 0.22 1.49 -0.02 0.00 0.31 0.00 0.00 61.69 63.69 1yaj s THR 533 Cb -0.15 -4.34 -0.04 0.00 0.01 0.00 0.00 72.50 67.99 1yaj s THR 533 CO 0.17 -0.44 0.15 0.00 -0.69 0.00 0.00 174.62 173.82 1yaj s GLN 534 N 3.45 1.18 0.50 4.92 0.00 -1.12 -4.87 119.66 123.72 1yaj s GLN 534 Ca 0.41 -1.55 0.03 0.00 -0.00 0.00 0.00 55.36 54.25 1yaj s GLN 534 Cb -0.13 0.29 0.02 0.00 0.00 0.00 0.00 33.01 33.19 1yaj s GLN 534 CO 0.15 -0.39 0.70 0.00 0.00 0.00 0.00 175.29 175.75 1yaj s ALA 535 N -4.12 4.08 0.26 2.60 0.00 -1.26 -0.68 121.76 122.63 1yaj s ALA 535 Ca 0.34 -1.41 -0.14 0.00 0.00 0.00 0.00 51.96 50.76 1yaj s ALA 535 Cb 0.06 -1.94 0.05 0.00 0.00 0.00 0.00 23.12 21.29 1yaj s ALA 535 CO 0.10 -0.56 0.70 0.00 0.00 0.00 0.00 175.76 176.00 1yaj n ALA 536 N -2.15 -1.67 -2.16 0.00 0.00 -0.28 -4.81 120.51 109.44 1yaj n ALA 536 Ca 0.07 -0.95 -0.10 0.00 0.00 0.00 0.00 53.44 52.46 1yaj n ALA 536 Cb 0.59 0.69 -0.10 0.00 0.00 0.00 0.00 19.45 20.63 1yaj n ALA 536 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1yaj s GLN 537 N -2.06 0.89 -0.98 0.00 -0.21 -1.26 -1.92 119.66 114.13 1yaj s GLN 537 Ca 0.15 -1.41 -0.09 0.00 0.02 0.00 0.00 55.36 54.03 1yaj s GLN 537 Cb -0.03 0.07 -0.03 0.00 1.00 0.00 0.00 33.01 34.02 1yaj s GLN 537 CO 0.08 -0.17 0.80 1.63 -2.12 0.00 0.00 175.29 175.50 1yaj n LYS 538 N -0.08 -1.63 -2.27 2.91 5.02 -0.83 -4.92 118.16 116.36 1yaj n LYS 538 Ca -0.08 0.90 -0.41 0.00 -2.02 0.00 0.00 58.31 56.70 1yaj n LYS 538 Cb 0.63 -5.01 -0.03 0.00 -0.02 0.00 0.00 35.03 30.60 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 -5.32 4.44 -1.52 -0.35 2.96 -1.26 -3.36 118.68 114.26 1yaj s LEU 539 Ca 0.31 2.40 -0.11 0.00 -0.22 0.00 0.00 54.13 56.51 1yaj s LEU 539 Cb -0.07 -3.62 0.11 0.00 0.50 0.00 0.00 46.19 43.11 1yaj s LEU 539 CO 0.79 -0.45 0.27 0.29 -1.32 0.00 0.00 176.35 175.94 1yaj n LYS 540 N 2.13 -0.84 0.02 1.98 4.76 -1.26 -4.83 118.16 120.12 1yaj n LYS 540 Ca 0.04 0.10 -0.11 0.00 -2.87 0.00 0.00 58.31 55.47 1yaj n LYS 540 Cb 0.43 -3.68 -0.08 0.00 -1.84 0.00 0.00 35.03 29.85 1yaj n LYS 540 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1yaj h ASP 541 N -1.10 -0.12 -0.36 4.39 3.58 -1.94 -2.94 116.42 117.92 1yaj h ASP 541 Ca -0.56 -0.45 0.01 0.00 0.42 0.00 0.00 57.03 56.45 1yaj h ASP 541 Cb 1.23 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 42.29 1yaj h ASP 541 CO 0.71 0.48 0.22 0.11 -2.88 0.00 0.00 179.24 177.89 1yaj h LYS 542 N -0.82 0.44 -0.09 0.28 1.57 -1.88 -2.39 116.57 113.69 1yaj h LYS 542 Ca -0.01 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1yaj h LYS 542 Cb 0.57 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.72 1yaj h LYS 542 CO 0.02 0.29 -0.32 0.93 -0.57 0.00 0.00 179.45 179.80 1yaj h GLU 543 N 0.46 -0.41 -0.74 3.15 3.07 -1.95 0.18 114.58 118.34 1yaj h GLU 543 Ca 0.13 0.03 0.07 0.00 -0.50 0.00 0.00 59.36 59.09 1yaj h GLU 543 Cb -0.03 0.09 -0.06 0.00 -0.84 0.00 0.00 28.75 27.91 1yaj h GLU 543 CO -0.04 -0.27 0.42 0.28 -1.40 0.00 0.00 179.01 177.99 1yaj h VAL 544 N -0.43 0.95 0.67 3.13 2.07 -1.43 -0.85 116.25 120.36 1yaj h VAL 544 Ca 0.08 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1yaj h VAL 544 Cb 0.55 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1yaj h VAL 544 CO -0.33 0.14 -0.39 0.00 0.02 0.00 0.00 177.57 177.01 1yaj h ALA 545 N 1.39 -1.22 -0.57 1.67 0.00 -0.80 -0.26 119.26 119.47 1yaj h ALA 545 Ca 0.34 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 55.16 1yaj h ALA 545 Cb 0.25 0.48 -0.10 0.00 0.00 0.00 0.00 17.79 18.41 1yaj h ALA 545 CO -0.21 -1.17 -0.06 0.35 0.00 0.00 0.00 179.25 178.16 1yaj h PHE 546 N -0.98 -0.15 -0.04 0.00 3.57 -0.68 -2.26 116.94 116.39 1yaj h PHE 546 Ca -0.09 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 1yaj h PHE 546 Cb 0.78 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.67 1yaj h PHE 546 CO -0.03 -0.19 0.02 -1.49 -2.23 0.00 0.00 178.31 174.38 1yaj h TRP 547 N 0.06 0.06 -1.02 0.41 4.06 -1.13 -1.25 115.95 117.15 1yaj h TRP 547 Ca 0.29 -0.00 0.26 0.00 2.06 0.00 0.00 58.89 61.50 1yaj h TRP 547 Cb 0.46 -0.02 -0.07 0.00 -1.00 0.00 0.00 29.16 28.52 1yaj h TRP 547 CO -0.40 0.19 0.68 1.15 -3.56 0.00 0.00 178.44 176.50 1yaj h THR 548 N -0.08 0.54 0.26 1.49 2.02 -0.52 -1.04 112.91 115.58 1yaj h THR 548 Ca 0.01 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 1yaj h THR 548 Cb 0.16 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 1yaj h THR 548 CO -0.00 0.05 -0.12 0.78 0.37 0.00 0.00 175.52 176.60 1yaj h ASN 549 N 0.29 -0.29 -0.97 4.18 4.21 -0.81 -3.17 115.58 119.01 1yaj h ASN 549 Ca 0.54 -0.21 0.05 0.00 1.21 0.00 0.00 56.30 57.89 1yaj h ASN 549 Cb 1.58 0.08 -0.06 0.00 -1.12 0.00 0.00 38.32 38.79 1yaj h ASN 549 CO -0.19 0.08 0.63 0.25 -1.29 0.00 0.00 177.43 176.92 1yaj h LEU 550 N -0.70 1.03 -0.79 1.61 5.85 -0.10 -0.89 115.31 121.32 1yaj h LEU 550 Ca -0.04 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1yaj h LEU 550 Cb 0.48 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1yaj h LEU 550 CO 0.06 0.69 0.00 0.49 -0.34 0.00 0.00 178.44 179.34 1yaj n PHE 551 N -4.46 0.07 1.35 1.25 3.01 -0.60 -3.25 117.46 114.83 1yaj n PHE 551 Ca 0.14 -0.03 0.13 0.00 1.01 0.00 0.00 57.45 58.71 1yaj n PHE 551 Cb 0.14 -0.08 0.44 0.00 -0.01 0.00 0.00 39.48 39.97 1yaj n PHE 551 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1yaj n ALA 552 N -0.11 2.87 -0.72 4.37 0.00 -0.34 -5.04 120.51 121.53 1yaj n ALA 552 Ca 0.01 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1yaj n ALA 552 Cb 0.21 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1yaj n ALA 552 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67