#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 6.60 0.98 4.04 0.01 -1.26 -4.95 113.70 119.11 1yaj s SER 22 Ca 0.00 2.56 -0.15 0.00 1.31 0.00 0.00 55.95 59.68 1yaj s SER 22 Cb 0.00 -2.58 -0.00 0.00 0.21 0.00 0.00 66.02 63.65 1yaj s SER 22 CO 0.00 -0.84 0.07 -2.65 0.41 0.00 0.00 173.24 170.22 1yaj n PRO 23 N 4.58 -0.36 -2.76 12.44 -0.02 -1.26 -4.88 135.00 142.75 1yaj n PRO 23 Ca 0.15 -0.08 -0.41 0.00 -2.02 0.00 0.00 63.50 61.14 1yaj n PRO 23 Cb 0.39 -1.64 -0.05 0.00 -0.02 0.00 0.00 33.50 32.18 1yaj n PRO 23 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1yaj s PRO 24 N -3.24 4.74 -0.47 0.52 0.02 -1.16 -4.90 135.00 130.51 1yaj s PRO 24 Ca 0.53 1.44 0.03 0.00 0.02 0.00 0.00 61.00 63.01 1yaj s PRO 24 Cb -0.19 -3.34 0.13 0.00 0.02 0.00 0.00 34.50 31.12 1yaj s PRO 24 CO 0.70 0.33 0.23 0.08 -0.33 0.00 0.00 177.00 178.01 1yaj s VAL 25 N -0.41 2.13 0.24 3.83 1.01 -1.26 -1.78 120.40 124.16 1yaj s VAL 25 Ca 0.44 -2.94 -0.24 0.00 0.00 0.00 0.00 61.98 59.25 1yaj s VAL 25 Cb -0.24 -2.50 -0.09 0.00 0.00 0.00 0.00 36.38 33.56 1yaj s VAL 25 CO 0.30 -0.81 0.82 -0.69 0.00 0.00 0.00 175.10 174.72 1yaj s VAL 26 N 0.07 4.37 -0.14 2.92 1.01 -0.85 -4.84 120.40 122.94 1yaj s VAL 26 Ca 0.16 1.62 -0.14 0.00 0.00 0.00 0.00 61.98 63.62 1yaj s VAL 26 Cb -0.25 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 1yaj s VAL 26 CO -0.01 0.29 0.31 -0.62 0.00 0.00 0.00 175.10 175.07 1yaj s ASP 27 N -1.48 6.49 0.23 3.32 -1.08 -1.26 -0.57 116.67 122.32 1yaj s ASP 27 Ca 0.43 0.58 0.06 0.00 -0.52 0.00 0.00 52.55 53.10 1yaj s ASP 27 Cb -0.20 -2.19 -0.05 0.00 -1.46 0.00 0.00 42.92 39.02 1yaj s ASP 27 CO 0.24 0.12 -0.07 0.42 0.52 0.00 0.00 175.17 176.40 1yaj s THR 28 N 0.28 1.46 0.21 1.71 -4.23 0.02 -4.79 115.64 110.30 1yaj s THR 28 Ca 0.18 -2.12 -0.12 0.00 -1.18 0.00 0.00 61.69 58.45 1yaj s THR 28 Cb -0.13 -2.25 0.22 0.00 1.34 0.00 0.00 72.50 71.68 1yaj s THR 28 CO 0.05 -0.44 1.64 0.58 -0.54 0.00 0.00 174.62 175.92 1yaj h VAL 29 N 2.46 0.42 -0.00 2.29 2.07 -1.94 0.64 116.25 122.19 1yaj h VAL 29 Ca -0.39 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1yaj h VAL 29 Cb 1.22 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1yaj h VAL 29 CO 0.65 0.01 -0.06 1.41 0.02 0.00 0.00 177.57 179.60 1yaj n HIS 30 N -5.37 0.00 0.00 1.57 8.25 -1.26 -5.00 115.22 113.41 1yaj n HIS 30 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 1yaj n HIS 30 Cb 0.34 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 31.07 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 1.41 -0.03 3.75 -1.41 0.00 0.22 -0.99 105.19 108.14 1yaj n GLY 31 Ca 0.10 -1.58 -0.38 0.00 0.00 0.00 0.00 46.02 44.16 1yaj n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yaj s LYS 32 N -1.61 4.29 0.14 1.61 1.02 -1.26 -0.80 119.74 123.13 1yaj s LYS 32 Ca 0.00 0.59 0.05 0.00 0.02 0.00 0.00 55.97 56.63 1yaj s LYS 32 Cb 0.00 -3.38 -0.04 0.00 -0.52 0.00 0.00 37.83 33.89 1yaj s LYS 32 CO 0.00 0.29 0.08 0.08 -0.92 0.00 0.00 175.35 174.88 1yaj s VAL 33 N 0.13 4.28 -0.11 3.17 1.01 0.27 0.77 120.40 129.91 1yaj s VAL 33 Ca 0.29 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1yaj s VAL 33 Cb -0.17 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.10 1yaj s VAL 33 CO 0.14 -0.02 -0.10 -0.22 0.00 0.00 0.00 175.10 174.90 1yaj s LEU 34 N -2.79 1.40 0.00 3.92 1.98 -0.01 -2.01 118.68 121.16 1yaj s LEU 34 Ca 0.29 -0.34 0.01 0.00 -2.89 0.00 0.00 54.13 51.20 1yaj s LEU 34 Cb -0.11 -0.91 -0.00 0.00 0.66 0.00 0.00 46.19 45.83 1yaj s LEU 34 CO 0.21 -0.07 0.03 0.61 -1.89 0.00 0.00 176.35 175.25 1yaj n GLY 35 N 4.64 3.58 3.47 7.98 0.00 -0.73 -1.29 105.19 122.83 1yaj n GLY 35 Ca -0.16 -2.29 -0.27 0.00 0.00 0.00 0.00 46.02 43.30 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 -3.53 1.69 0.24 1.61 -2.85 -0.96 -2.97 119.74 112.97 1yaj s LYS 36 Ca 0.04 -1.42 -0.16 0.00 -1.00 0.00 0.00 55.97 53.44 1yaj s LYS 36 Cb 0.00 -1.96 -0.08 0.00 -2.06 0.00 0.00 37.83 33.73 1yaj s LYS 36 CO 0.03 0.42 0.67 -0.06 0.10 0.00 0.00 175.35 176.51 1yaj s PHE 37 N -1.61 3.53 -0.04 1.78 2.99 -1.26 -1.81 117.98 121.55 1yaj s PHE 37 Ca 0.21 1.20 -0.01 0.00 0.00 0.00 0.00 56.93 58.34 1yaj s PHE 37 Cb -0.08 -2.50 0.03 0.00 0.00 0.00 0.00 43.02 40.47 1yaj s PHE 37 CO 0.11 0.27 0.03 0.08 -0.00 0.00 0.00 175.22 175.72 1yaj s VAL 38 N -1.69 0.02 -0.18 -0.44 1.01 -0.69 -4.97 120.40 113.46 1yaj s VAL 38 Ca 0.46 0.28 -0.13 0.00 0.00 0.00 0.00 61.98 62.58 1yaj s VAL 38 Cb -0.14 -0.21 -0.05 0.00 0.00 0.00 0.00 36.38 35.99 1yaj s VAL 38 CO 0.19 0.16 0.28 -0.44 0.00 0.00 0.00 175.10 175.30 1yaj s SER 39 N 1.68 6.37 0.10 3.32 0.01 -1.26 -0.68 113.70 123.23 1yaj s SER 39 Ca -0.01 0.43 0.01 0.00 1.31 0.00 0.00 55.95 57.69 1yaj s SER 39 Cb -0.13 -2.17 -0.04 0.00 0.21 0.00 0.00 66.02 63.89 1yaj s SER 39 CO -0.03 0.07 0.23 -0.22 0.41 0.00 0.00 173.24 173.70 1yaj s LEU 40 N 0.72 4.31 -0.20 2.44 2.96 -1.26 -5.03 118.68 122.61 1yaj s LEU 40 Ca 0.15 0.20 -0.32 0.00 -0.22 0.00 0.00 54.13 53.94 1yaj s LEU 40 Cb -0.13 -2.90 -0.09 0.00 0.50 0.00 0.00 46.19 43.57 1yaj s LEU 40 CO 0.04 0.12 2.11 1.21 -1.32 0.00 0.00 176.35 178.50 1yaj n GLU 41 N -0.09 1.83 -1.10 1.98 4.07 -1.26 -2.19 120.64 123.88 1yaj n GLU 41 Ca -0.06 0.57 0.00 0.00 -0.06 0.00 0.00 57.16 57.61 1yaj n GLU 41 Cb 0.52 -2.84 0.00 0.00 -0.06 0.00 0.00 31.44 29.06 1yaj n GLU 41 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1yaj n GLY 42 N 5.54 0.95 2.77 8.31 0.00 -1.26 -5.07 105.19 116.44 1yaj n GLY 42 Ca 0.31 -0.56 -0.18 0.00 0.00 0.00 0.00 46.02 45.58 1yaj n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1yaj s PHE 43 N -2.00 -0.22 0.23 1.61 0.40 -0.93 -5.02 117.98 112.05 1yaj s PHE 43 Ca 0.00 0.29 -0.04 0.00 -0.60 0.00 0.00 56.93 56.58 1yaj s PHE 43 Cb 0.00 -0.36 0.25 0.00 0.51 0.00 0.00 43.02 43.42 1yaj s PHE 43 CO 0.00 -0.52 1.69 0.00 0.70 0.00 0.00 175.22 177.10 1yaj h ALA 44 N 8.33 0.98 -1.47 5.36 0.00 -1.98 -3.40 119.26 127.09 1yaj h ALA 44 Ca -0.16 -0.31 -0.54 0.00 0.00 0.00 0.00 54.91 53.89 1yaj h ALA 44 Cb 1.14 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 1yaj h ALA 44 CO 0.25 0.61 1.06 -1.14 0.00 0.00 0.00 179.25 180.02 1yaj s GLN 45 N -4.83 3.27 0.52 0.00 2.00 -1.26 -5.01 119.66 114.35 1yaj s GLN 45 Ca -0.10 0.06 -0.22 0.00 -2.00 0.00 0.00 55.36 53.10 1yaj s GLN 45 Cb 0.14 -4.14 -0.06 0.00 0.80 0.00 0.00 33.01 29.75 1yaj s GLN 45 CO 0.83 -2.02 1.33 -1.25 -0.50 0.00 0.00 175.29 173.68 1yaj s PRO 46 N 5.56 3.33 -0.02 1.67 0.04 -1.26 -4.86 135.00 139.46 1yaj s PRO 46 Ca 0.42 2.18 -0.18 0.00 0.04 0.00 0.00 61.00 63.46 1yaj s PRO 46 Cb -0.09 -2.34 -0.05 0.00 0.04 0.00 0.00 34.50 32.06 1yaj s PRO 46 CO 0.20 -1.02 0.49 0.08 0.04 0.00 0.00 177.00 176.79 1yaj s VAL 47 N -1.33 4.99 -0.12 -0.36 1.01 0.14 -4.82 120.40 119.90 1yaj s VAL 47 Ca 0.69 1.03 -0.27 0.00 0.00 0.00 0.00 61.98 63.42 1yaj s VAL 47 Cb -0.39 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 1yaj s VAL 47 CO 0.47 0.48 0.89 0.00 0.00 0.00 0.00 175.10 176.93 1yaj s ALA 48 N -0.47 3.42 -0.17 5.51 0.00 -0.35 -1.70 121.76 128.00 1yaj s ALA 48 Ca 0.27 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.44 1yaj s ALA 48 Cb -0.17 -3.28 0.01 0.00 0.00 0.00 0.00 23.12 19.67 1yaj s ALA 48 CO 0.14 -0.53 -0.16 0.42 0.00 0.00 0.00 175.76 175.64 1yaj s ILE 49 N 1.84 2.51 -0.22 0.00 1.01 -0.75 -1.75 121.20 123.84 1yaj s ILE 49 Ca 0.43 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 60.29 1yaj s ILE 49 Cb -0.18 -2.07 0.04 0.00 0.01 0.00 0.00 42.46 40.26 1yaj s ILE 49 CO 0.16 0.51 -0.15 -0.36 0.00 0.00 0.00 174.94 175.10 1yaj s PHE 50 N 1.07 3.03 -0.28 3.97 0.40 -0.32 -2.28 117.98 123.58 1yaj s PHE 50 Ca -0.00 -1.99 -0.05 0.00 -0.60 0.00 0.00 56.93 54.29 1yaj s PHE 50 Cb -0.14 -1.93 0.02 0.00 0.51 0.00 0.00 43.02 41.47 1yaj s PHE 50 CO -0.05 -0.84 0.03 -0.51 0.70 0.00 0.00 175.22 174.55 1yaj s LEU 51 N 1.20 3.66 0.00 -0.37 1.43 -0.85 -0.70 118.68 123.05 1yaj s LEU 51 Ca -0.02 -0.79 0.00 0.00 -1.03 0.00 0.00 54.13 52.29 1yaj s LEU 51 Cb -0.17 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.25 1yaj s LEU 51 CO -0.09 -0.18 0.00 0.61 0.23 0.00 0.00 176.35 176.92 1yaj n GLY 52 N 4.80 1.09 3.62 -3.19 0.00 -1.05 -3.54 105.19 106.92 1yaj n GLY 52 Ca -0.15 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.18 4.47 -0.11 -0.61 1.01 -0.67 -4.83 121.20 118.28 1yaj s ILE 53 Ca 0.00 1.50 -0.29 0.00 0.00 0.00 0.00 60.65 61.86 1yaj s ILE 53 Cb 0.00 -4.43 -0.05 0.00 0.01 0.00 0.00 42.46 38.00 1yaj s ILE 53 CO 0.00 -0.59 1.69 -2.16 0.00 0.00 0.00 174.94 173.88 1yaj s PRO 54 N 3.75 3.99 0.00 2.79 0.04 -1.26 -2.90 135.00 141.41 1yaj s PRO 54 Ca 0.44 2.02 0.18 0.00 0.04 0.00 0.00 61.00 63.69 1yaj s PRO 54 Cb -0.11 -4.03 0.17 0.00 0.04 0.00 0.00 34.50 30.56 1yaj s PRO 54 CO 0.19 -1.07 1.10 1.97 0.04 0.00 0.00 177.00 179.23 1yaj n PHE 55 N 7.84 0.05 -3.61 0.56 1.16 -1.17 -4.89 117.46 117.39 1yaj n PHE 55 Ca 0.19 -0.03 -0.10 0.00 -1.87 0.00 0.00 57.45 55.63 1yaj n PHE 55 Cb 0.44 -0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.27 1yaj n PHE 55 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1yaj s ALA 56 N -1.49 -1.13 -0.06 1.98 0.00 -1.25 -4.59 121.76 115.22 1yaj s ALA 56 Ca 0.22 0.04 -0.30 0.00 0.00 0.00 0.00 51.96 51.92 1yaj s ALA 56 Cb 0.15 0.81 -0.02 0.00 0.00 0.00 0.00 23.12 24.06 1yaj s ALA 56 CO 0.23 -0.74 1.02 0.21 0.00 0.00 0.00 175.76 176.47 1yaj s LYS 57 N -3.82 4.47 -0.47 0.00 2.20 0.19 -4.52 119.74 117.79 1yaj s LYS 57 Ca 0.05 1.43 -0.43 0.00 -0.36 0.00 0.00 55.97 56.67 1yaj s LYS 57 Cb -0.00 -3.51 -0.18 0.00 -1.51 0.00 0.00 37.83 32.63 1yaj s LYS 57 CO -0.09 -0.23 1.88 -2.30 -0.36 0.00 0.00 175.35 174.25 1yaj n PRO 58 N 4.60 0.00 -0.50 4.03 -0.02 -1.26 -4.48 135.00 137.37 1yaj n PRO 58 Ca 0.08 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.49 1yaj n PRO 58 Cb 0.49 -1.42 -0.08 0.00 -0.02 0.00 0.00 33.50 32.47 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 6.11 1.03 -2.69 0.52 -0.04 -1.26 -4.87 135.00 133.80 1yaj n PRO 59 Ca 0.45 -0.53 -0.24 0.00 -0.04 0.00 0.00 63.50 63.14 1yaj n PRO 59 Cb -0.04 -1.78 0.03 0.00 -0.04 0.00 0.00 33.50 31.67 1yaj n PRO 59 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1yaj s LEU 60 N 0.00 3.39 0.00 1.53 1.43 -1.26 -3.58 118.68 120.19 1yaj s LEU 60 Ca 0.33 0.36 0.00 0.00 -1.03 0.00 0.00 54.13 53.79 1yaj s LEU 60 Cb 0.16 -3.21 0.00 0.00 0.03 0.00 0.00 46.19 43.17 1yaj s LEU 60 CO -0.00 -0.96 0.00 0.61 0.23 0.00 0.00 176.35 176.23 1yaj n GLY 61 N -2.34 2.99 0.00 -3.19 0.00 -1.26 -1.03 105.19 100.36 1yaj n GLY 61 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1yaj n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1yaj n PRO 62 N 14.00 0.05 -0.26 1.61 -0.04 -1.26 -1.63 135.00 147.46 1yaj n PRO 62 Ca 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.53 1yaj n PRO 62 Cb 0.00 -1.15 0.21 0.00 -0.04 0.00 0.00 33.50 32.52 1yaj n PRO 62 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1yaj n LEU 63 N -0.65 3.33 -4.68 1.53 4.77 -0.20 -4.93 117.00 116.18 1yaj n LEU 63 Ca 0.00 -2.08 -0.41 0.00 -0.03 0.00 0.00 56.01 53.50 1yaj n LEU 63 Cb 0.00 -0.33 -0.04 0.00 -2.33 0.00 0.00 43.42 40.72 1yaj n LEU 63 CO 0.00 0.80 0.54 -0.60 -1.33 0.00 0.00 177.39 176.80 1yaj s ARG 64 N -1.14 4.33 -0.13 3.23 3.52 -0.65 -3.67 118.95 124.45 1yaj s ARG 64 Ca 0.32 0.96 -0.01 0.00 -0.13 0.00 0.00 55.73 56.87 1yaj s ARG 64 Cb 0.18 -3.54 0.00 0.00 -1.56 0.00 0.00 34.95 30.03 1yaj s ARG 64 CO 0.20 -0.22 0.11 1.19 -0.81 0.00 0.00 175.30 175.78 1yaj n PHE 65 N 4.83 -0.27 -3.63 5.12 3.72 -1.26 -4.94 117.46 121.02 1yaj n PHE 65 Ca 0.03 0.10 -0.13 0.00 -0.05 0.00 0.00 57.45 57.39 1yaj n PHE 65 Cb 0.50 -1.44 -0.06 0.00 -0.94 0.00 0.00 39.48 37.54 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 -3.03 0.05 0.53 4.37 -4.23 -1.24 -4.81 115.64 107.28 1yaj s THR 66 Ca 0.05 -0.40 -0.20 0.00 -1.18 0.00 0.00 61.69 59.96 1yaj s THR 66 Cb -0.02 -0.97 -0.08 0.00 1.34 0.00 0.00 72.50 72.76 1yaj s THR 66 CO 0.07 -0.22 0.85 -2.65 -0.54 0.00 0.00 174.62 172.13 1yaj n PRO 67 N 0.42 0.93 -2.53 3.99 -0.02 -1.26 -4.93 135.00 131.61 1yaj n PRO 67 Ca -0.18 0.35 -0.40 0.00 -2.02 0.00 0.00 63.50 61.25 1yaj n PRO 67 Cb 0.60 -1.98 -0.05 0.00 -0.02 0.00 0.00 33.50 32.06 1yaj n PRO 67 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1yaj s PRO 68 N -2.29 4.61 0.01 0.52 0.04 -1.26 -5.05 135.00 131.58 1yaj s PRO 68 Ca 0.69 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.45 1yaj s PRO 68 Cb -0.48 -3.11 -0.04 0.00 0.04 0.00 0.00 34.50 30.91 1yaj s PRO 68 CO 0.53 0.21 0.08 -0.65 0.04 0.00 0.00 177.00 177.21 1yaj s GLN 69 N -1.56 3.03 0.57 4.56 1.11 -1.26 -4.96 119.66 121.15 1yaj s GLN 69 Ca 0.46 -0.53 -0.19 0.00 0.01 0.00 0.00 55.36 55.11 1yaj s GLN 69 Cb -0.30 -2.83 -0.07 0.00 -1.01 0.00 0.00 33.01 28.81 1yaj s GLN 69 CO 0.38 0.63 0.79 -2.30 0.01 0.00 0.00 175.29 174.80 1yaj n PRO 70 N 1.02 0.77 -2.82 2.91 -0.02 -1.26 0.57 135.00 136.18 1yaj n PRO 70 Ca -0.12 0.30 -0.40 0.00 -2.02 0.00 0.00 63.50 61.26 1yaj n PRO 70 Cb 0.52 -1.96 -0.05 0.00 -0.02 0.00 0.00 33.50 31.99 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 -1.57 3.33 0.30 3.55 0.00 -1.26 -4.03 121.76 122.07 1yaj s ALA 71 Ca 0.72 0.50 -0.30 0.00 0.00 0.00 0.00 51.96 52.88 1yaj s ALA 71 Cb -0.44 -3.16 -0.11 0.00 0.00 0.00 0.00 23.12 19.41 1yaj s ALA 71 CO 0.51 0.11 1.54 -1.21 0.00 0.00 0.00 175.76 176.71 1yaj s GLU 72 N -0.51 4.15 0.88 0.00 0.41 -1.26 -4.94 118.70 117.43 1yaj s GLU 72 Ca 0.42 2.52 -0.11 0.00 -0.41 0.00 0.00 54.97 57.39 1yaj s GLU 72 Cb -0.23 -3.03 0.12 0.00 -1.78 0.00 0.00 34.13 29.20 1yaj s GLU 72 CO 0.29 -0.57 1.10 -1.25 -0.49 0.00 0.00 175.26 174.34 1yaj s PRO 73 N -0.75 1.38 0.21 0.39 0.04 -1.26 -5.05 135.00 129.95 1yaj s PRO 73 Ca 0.61 1.13 0.07 0.00 0.04 0.00 0.00 61.00 62.84 1yaj s PRO 73 Cb -0.46 -1.80 -0.05 0.00 0.04 0.00 0.00 34.50 32.23 1yaj s PRO 73 CO 0.49 -2.24 -0.11 1.67 0.04 0.00 0.00 177.00 176.85 1yaj s TRP 74 N -2.82 1.66 0.00 0.56 -2.14 -0.16 -5.04 118.94 111.00 1yaj s TRP 74 Ca 0.64 -0.66 0.00 0.00 2.66 0.00 0.00 56.10 58.74 1yaj s TRP 74 Cb -0.19 -0.83 0.00 0.00 -3.10 0.00 0.00 33.47 29.35 1yaj s TRP 74 CO 0.57 0.26 0.00 0.43 -2.66 0.00 0.00 176.95 175.55 1yaj n SER 75 N -0.39 0.00 0.76 -2.66 7.64 -1.26 -4.64 113.62 113.07 1yaj n SER 75 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1yaj n SER 75 Cb 0.61 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 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 0.00 -0.01 -3.81 1.43 3.01 -1.26 -4.62 117.46 112.21 1yaj n PHE 76 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.10 1yaj n PHE 76 Cb 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.36 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 0.00 4.82 -0.56 -4.37 1.01 -1.26 -4.21 120.40 115.82 1yaj s VAL 77 Ca 0.00 -0.01 -0.28 0.00 0.00 0.00 0.00 61.98 61.70 1yaj s VAL 77 Cb 0.00 -3.23 0.03 0.00 0.00 0.00 0.00 36.38 33.18 1yaj s VAL 77 CO 0.00 0.37 1.15 -0.75 0.00 0.00 0.00 175.10 175.86 1yaj s LYS 78 N 1.10 3.51 -0.88 2.72 2.20 0.23 -4.84 119.74 123.78 1yaj s LYS 78 Ca 0.05 0.20 -0.26 0.00 -0.36 0.00 0.00 55.97 55.61 1yaj s LYS 78 Cb -0.14 -4.01 -0.13 0.00 -1.51 0.00 0.00 37.83 32.04 1yaj s LYS 78 CO 0.04 -1.62 2.25 1.21 -0.36 0.00 0.00 175.35 176.88 1yaj s ASN 79 N 2.88 4.09 -1.09 1.43 3.84 -1.26 -0.83 114.94 124.00 1yaj s ASN 79 Ca 0.41 -0.33 -0.04 0.00 0.21 0.00 0.00 52.86 53.12 1yaj s ASN 79 Cb -0.08 -2.56 0.30 0.00 -0.55 0.00 0.00 41.25 38.36 1yaj s ASN 79 CO 0.25 -3.78 1.61 0.00 -2.79 0.00 0.00 177.10 172.38 1yaj n ALA 80 N 17.79 5.44 -1.68 1.71 0.00 -0.41 -4.68 120.51 138.68 1yaj n ALA 80 Ca 0.45 -4.72 0.06 0.00 0.00 0.00 0.00 53.44 49.22 1yaj n ALA 80 Cb 0.45 -2.36 0.16 0.00 0.00 0.00 0.00 19.45 17.70 1yaj n ALA 80 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1yaj n THR 81 N 1.13 1.73 -4.17 0.00 -1.04 -1.25 -2.00 114.28 108.68 1yaj n THR 81 Ca 0.32 -2.63 -0.18 0.00 -2.04 0.00 0.00 64.05 59.52 1yaj n THR 81 Cb 0.31 -0.02 -0.15 0.00 -1.82 0.00 0.00 70.33 68.65 1yaj n THR 81 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1yaj s SER 82 N -2.91 0.79 0.11 8.00 0.01 -1.23 -4.94 113.70 113.52 1yaj s SER 82 Ca 0.35 -0.11 -0.33 0.00 1.31 0.00 0.00 55.95 57.17 1yaj s SER 82 Cb 0.35 -0.26 -0.13 0.00 0.21 0.00 0.00 66.02 66.19 1yaj s SER 82 CO -0.07 0.00 1.70 -1.22 0.41 0.00 0.00 173.24 174.07 1yaj n TYR 83 N 3.53 2.40 -1.89 2.43 4.01 -1.26 -4.17 117.16 122.20 1yaj n TYR 83 Ca -0.20 0.11 -0.33 0.00 -0.16 0.00 0.00 57.90 57.33 1yaj n TYR 83 Cb 0.54 -2.62 0.03 0.00 -0.31 0.00 0.00 39.34 36.98 1yaj n TYR 83 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1yaj s PRO 84 N 1.89 3.06 0.68 -0.72 0.04 -1.26 -4.99 135.00 133.70 1yaj s PRO 84 Ca 0.82 1.29 -0.16 0.00 0.04 0.00 0.00 61.00 62.99 1yaj s PRO 84 Cb -0.63 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 31.93 1yaj s PRO 84 CO 0.40 -1.03 1.17 -2.14 0.04 0.00 0.00 177.00 175.44 1yaj s PRO 85 N -4.11 2.51 0.06 0.56 0.02 -1.26 -4.82 135.00 127.95 1yaj s PRO 85 Ca 0.65 1.64 -0.03 0.00 0.02 0.00 0.00 61.00 63.29 1yaj s PRO 85 Cb -0.18 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.40 1yaj s PRO 85 CO 0.40 -1.52 0.25 0.00 -0.33 0.00 0.00 177.00 175.79 1yaj s MET 86 N -3.87 3.50 0.78 5.54 0.23 0.15 -4.68 119.30 120.97 1yaj s MET 86 Ca 0.72 -0.28 -0.16 0.00 -1.03 0.00 0.00 55.69 54.95 1yaj s MET 86 Cb -0.26 -3.01 -0.04 0.00 -1.53 0.00 0.00 34.83 29.99 1yaj s MET 86 CO 0.42 0.60 0.38 0.00 -2.03 0.00 0.00 175.02 174.38 1yaj n THR 88 N -2.62 0.23 -2.87 0.00 -1.04 -1.17 -4.57 114.28 102.24 1yaj n THR 88 Ca 0.08 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1yaj n THR 88 Cb 0.51 -1.79 0.00 0.00 -1.82 0.00 0.00 70.33 67.23 1yaj n THR 88 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1yaj n GLN 89 N 4.79 0.00 -2.46 -2.82 10.64 -1.26 -4.70 117.38 121.57 1yaj n GLN 89 Ca 0.19 0.00 -0.41 0.00 -1.83 0.00 0.00 57.00 54.95 1yaj n GLN 89 Cb 0.31 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.66 1yaj n GLN 89 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1yaj s ASP 90 N -0.54 6.01 0.55 2.61 -1.08 -1.26 -4.88 116.67 118.08 1yaj s ASP 90 Ca 0.00 -0.30 0.33 0.00 -0.52 0.00 0.00 52.55 52.06 1yaj s ASP 90 Cb 0.00 -2.55 1.49 0.00 -1.46 0.00 0.00 42.92 40.40 1yaj s ASP 90 CO 0.00 -1.93 1.85 1.55 0.52 0.00 0.00 175.17 177.16 1yaj h PRO 91 N 10.90 0.00 0.10 4.34 0.13 -1.98 0.59 132.00 146.08 1yaj h PRO 91 Ca -0.28 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.58 1yaj h PRO 91 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1yaj h PRO 91 CO 1.27 0.00 -1.30 -0.22 -0.23 0.00 0.00 178.00 177.51 1yaj h LYS 92 N 0.00 0.21 -0.02 0.86 3.64 -2.00 -3.05 116.57 116.21 1yaj h LYS 92 Ca 0.44 -0.36 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1yaj h LYS 92 Cb 1.84 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.80 1yaj h LYS 92 CO -0.00 1.13 -0.12 0.00 -2.27 0.00 0.00 179.45 178.18 1yaj h ALA 93 N 0.64 0.04 -0.64 5.00 0.00 -1.36 -3.18 119.26 119.76 1yaj h ALA 93 Ca -0.15 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 1yaj h ALA 93 Cb 1.95 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.72 1yaj h ALA 93 CO 0.18 -0.03 0.24 0.78 0.00 0.00 0.00 179.25 180.41 1yaj h GLY 94 N -0.51 1.04 1.60 0.00 0.00 -1.24 0.25 103.07 104.22 1yaj h GLY 94 Ca -0.01 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1yaj h GLY 94 CO 0.02 0.55 0.25 -1.61 0.00 0.00 0.00 176.54 175.75 1yaj h GLN 95 N 0.91 0.53 0.03 4.80 4.15 -1.65 0.26 115.11 124.14 1yaj h GLN 95 Ca 0.21 -0.04 -0.13 0.00 0.77 0.00 0.00 58.65 59.46 1yaj h GLN 95 Cb 0.24 -0.12 0.01 0.00 0.21 0.00 0.00 27.48 27.82 1yaj h GLN 95 CO -0.01 0.36 -0.54 1.25 -1.93 0.00 0.00 178.83 177.96 1yaj h LEU 96 N 0.54 0.42 -0.64 -2.39 5.85 -1.37 -2.02 115.31 115.70 1yaj h LEU 96 Ca 0.14 -0.82 -0.04 0.00 0.84 0.00 0.00 57.88 58.00 1yaj h LEU 96 Cb -0.04 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 1yaj h LEU 96 CO -0.03 1.19 0.23 0.25 -0.34 0.00 0.00 178.44 179.74 1yaj h LEU 97 N -0.30 0.91 -1.67 2.25 5.85 -0.22 -1.16 115.31 120.98 1yaj h LEU 97 Ca -0.08 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 1yaj h LEU 97 Cb 1.30 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 1yaj h LEU 97 CO 0.10 0.85 -0.19 -1.28 -0.34 0.00 0.00 178.44 177.58 1yaj h SER 98 N 0.91 0.00 -0.14 1.25 0.87 -0.54 -0.67 113.55 115.22 1yaj h SER 98 Ca 0.21 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.64 1yaj h SER 98 Cb 0.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 1yaj h SER 98 CO -0.01 0.19 -0.41 -0.33 -0.53 0.00 0.00 176.83 175.74 1yaj h GLU 99 N 0.00 0.53 0.00 2.24 5.08 -0.53 -2.50 114.58 119.41 1yaj h GLU 99 Ca -0.00 -0.38 -0.04 0.00 -1.00 0.00 0.00 59.36 57.94 1yaj h GLU 99 Cb 0.41 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1yaj h GLU 99 CO 0.03 1.00 -0.33 -0.07 -1.00 0.00 0.00 179.01 178.64 1yaj h LEU 100 N 0.16 0.00 0.00 1.33 3.38 -0.89 -3.35 115.31 115.94 1yaj h LEU 100 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1yaj h LEU 100 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1yaj h LEU 100 CO 0.09 0.16 -1.19 0.49 0.09 0.00 0.00 178.44 178.08 1yaj n PHE 101 N -3.07 0.00 0.00 1.13 3.01 -0.29 -5.00 117.46 113.24 1yaj n PHE 101 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 1yaj n PHE 101 Cb 0.60 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.95 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 -1.66 0.00 -0.96 4.37 5.66 -0.94 -4.84 114.28 115.91 1yaj n THR 102 Ca 0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 1yaj n THR 102 Cb 0.36 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.14 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 0.00 0.00 -4.80 1.09 6.94 -1.26 -4.74 115.26 112.48 1yaj n ASN 103 Ca 0.00 -0.24 -0.22 0.00 -0.02 0.00 0.00 54.58 54.10 1yaj n ASN 103 Cb 0.00 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.37 1yaj n ASN 103 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1yaj s ARG 104 N 0.00 2.45 0.09 -3.83 0.52 -1.26 -3.95 118.95 112.97 1yaj s ARG 104 Ca 0.00 -1.58 -0.20 0.00 -0.52 0.00 0.00 55.73 53.43 1yaj s ARG 104 Cb 0.00 -2.25 -0.09 0.00 0.52 0.00 0.00 34.95 33.13 1yaj s ARG 104 CO 0.00 -0.06 1.66 1.57 0.02 0.00 0.00 175.30 178.49 1yaj h LYS 105 N 1.28 0.25 -6.12 3.54 2.10 -1.89 -3.43 116.57 112.30 1yaj h LYS 105 Ca -0.43 -0.04 -0.68 0.00 -2.00 0.00 0.00 60.65 57.50 1yaj h LYS 105 Cb 1.26 -0.04 -0.21 0.00 -0.90 0.00 0.00 32.23 32.33 1yaj h LYS 105 CO 0.62 0.29 -0.73 -1.83 -2.00 0.00 0.00 179.45 175.80 1yaj s GLU 106 N -5.70 2.73 0.02 0.07 -1.05 -1.26 -5.07 118.70 108.45 1yaj s GLU 106 Ca -0.13 -0.62 -0.23 0.00 -0.15 0.00 0.00 54.97 53.83 1yaj s GLU 106 Cb 0.07 -2.52 -0.05 0.00 -0.44 0.00 0.00 34.13 31.19 1yaj s GLU 106 CO 0.70 0.60 0.71 1.21 0.95 0.00 0.00 175.26 179.42 1yaj s ASN 107 N -0.64 7.12 -0.25 0.83 3.04 -1.26 -4.99 114.94 118.79 1yaj s ASN 107 Ca 0.09 1.34 -0.17 0.00 0.04 0.00 0.00 52.86 54.16 1yaj s ASN 107 Cb -0.11 -2.43 -0.03 0.00 -1.54 0.00 0.00 41.25 37.14 1yaj s ASN 107 CO 0.01 0.03 0.48 -0.63 -3.04 0.00 0.00 177.10 173.95 1yaj s ILE 108 N -0.01 5.10 0.38 -5.21 -1.09 -1.26 -5.06 121.20 114.05 1yaj s ILE 108 Ca 0.36 0.82 -0.25 0.00 -2.23 0.00 0.00 60.65 59.36 1yaj s ILE 108 Cb -0.20 -3.80 -0.09 0.00 -1.58 0.00 0.00 42.46 36.79 1yaj s ILE 108 CO 0.21 0.11 1.06 -2.16 -1.23 0.00 0.00 174.94 172.93 1yaj s PRO 109 N 2.16 4.23 0.37 2.79 0.04 -1.26 -4.93 135.00 138.39 1yaj s PRO 109 Ca 0.20 1.56 0.05 0.00 0.04 0.00 0.00 61.00 62.85 1yaj s PRO 109 Cb -0.16 -2.63 -0.07 0.00 0.04 0.00 0.00 34.50 31.68 1yaj s PRO 109 CO 0.09 -0.10 0.03 -0.51 0.04 0.00 0.00 177.00 176.56 1yaj s LEU 110 N -2.47 2.52 0.20 -3.56 1.43 -1.26 -5.12 118.68 110.41 1yaj s LEU 110 Ca 0.56 -1.39 0.06 0.00 -1.03 0.00 0.00 54.13 52.33 1yaj s LEU 110 Cb -0.24 -0.64 -0.04 0.00 0.03 0.00 0.00 46.19 45.31 1yaj s LEU 110 CO 0.30 -0.55 0.15 -0.54 0.23 0.00 0.00 176.35 175.94 1yaj s LYS 111 N -3.80 2.88 0.23 1.70 3.01 -1.26 -4.94 119.74 117.57 1yaj s LYS 111 Ca 0.35 -0.95 0.06 0.00 -1.01 0.00 0.00 55.97 54.41 1yaj s LYS 111 Cb 0.09 -2.60 -0.03 0.00 -1.01 0.00 0.00 37.83 34.28 1yaj s LYS 111 CO 0.16 0.45 0.28 -0.51 0.51 0.00 0.00 175.35 176.24 1yaj s LEU 112 N -3.36 4.09 0.00 3.17 1.43 -1.26 0.35 118.68 123.10 1yaj s LEU 112 Ca 0.31 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 1yaj s LEU 112 Cb -0.09 -2.63 0.00 0.00 0.03 0.00 0.00 46.19 43.50 1yaj s LEU 112 CO 0.24 -0.04 0.00 -0.24 0.23 0.00 0.00 176.35 176.54 1yaj n SER 113 N -1.19 0.00 0.21 2.29 2.88 -1.08 -4.84 113.62 111.88 1yaj n SER 113 Ca -0.08 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.53 1yaj n SER 113 Cb 0.57 0.00 0.48 0.00 -0.75 0.00 0.00 64.21 64.51 1yaj n SER 113 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1yaj h GLU 114 N 0.00 0.00 -5.40 -1.46 5.08 -1.95 -3.09 114.58 107.77 1yaj h GLU 114 Ca 0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 1yaj h GLU 114 Cb 0.00 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.10 1yaj h GLU 114 CO 0.00 0.28 1.14 0.34 -1.00 0.00 0.00 179.01 179.77 1yaj s ASP 115 N -6.49 6.62 0.00 1.42 2.15 -1.26 -4.55 116.67 114.56 1yaj s ASP 115 Ca -0.02 -1.93 0.00 0.00 0.43 0.00 0.00 52.55 51.03 1yaj s ASP 115 Cb 0.13 -2.46 0.00 0.00 -0.30 0.00 0.00 42.92 40.28 1yaj s ASP 115 CO 0.66 -1.19 0.16 0.00 -0.17 0.00 0.00 175.17 174.63 1yaj n LEU 117 N -0.01 3.93 0.00 0.00 4.77 -1.26 -4.70 117.00 119.73 1yaj n LEU 117 Ca 0.00 -2.75 -0.06 0.00 -0.03 0.00 0.00 56.01 53.17 1yaj n LEU 117 Cb 0.26 -1.05 -0.01 0.00 -2.33 0.00 0.00 43.42 40.29 1yaj n LEU 117 CO 0.00 -0.32 -0.02 -1.22 -1.33 0.00 0.00 177.39 174.50 1yaj n TYR 118 N 6.94 -0.33 -3.50 -1.77 4.02 -1.26 -3.06 117.16 118.20 1yaj n TYR 118 Ca 0.47 -0.45 -0.09 0.00 -0.01 0.00 0.00 57.90 57.82 1yaj n TYR 118 Cb 0.35 -0.07 -0.02 0.00 -0.02 0.00 0.00 39.34 39.58 1yaj n TYR 118 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 176.86 175.37 1yaj s LEU 119 N 0.00 -0.41 0.04 7.72 0.05 -1.14 -2.22 118.68 122.71 1yaj s LEU 119 Ca 0.02 -0.03 0.06 0.00 0.05 0.00 0.00 54.13 54.24 1yaj s LEU 119 Cb -0.00 2.19 -0.02 0.00 -2.05 0.00 0.00 46.19 46.31 1yaj s LEU 119 CO 0.01 -0.74 -0.18 0.20 -0.55 0.00 0.00 176.35 175.10 1yaj s ASN 120 N -2.58 2.14 0.07 1.48 0.01 0.13 -1.67 114.94 114.53 1yaj s ASN 120 Ca 0.04 -0.48 0.10 0.00 -0.71 0.00 0.00 52.86 51.81 1yaj s ASN 120 Cb -0.01 -0.17 -0.03 0.00 0.41 0.00 0.00 41.25 41.44 1yaj s ASN 120 CO -0.09 0.12 -0.26 -0.63 -1.51 0.00 0.00 177.10 174.72 1yaj s ILE 121 N -0.78 2.15 -0.34 0.60 1.01 0.12 -1.59 121.20 122.37 1yaj s ILE 121 Ca 0.05 -1.50 -0.01 0.00 0.00 0.00 0.00 60.65 59.19 1yaj s ILE 121 Cb -0.08 -1.86 0.11 0.00 0.01 0.00 0.00 42.46 40.64 1yaj s ILE 121 CO 0.01 0.26 0.15 -0.31 0.00 0.00 0.00 174.94 175.06 1yaj s TYR 122 N -0.89 1.34 -0.18 3.97 1.51 -0.22 -1.17 117.35 121.71 1yaj s TYR 122 Ca 0.12 -1.71 -0.05 0.00 -1.01 0.00 0.00 57.07 54.42 1yaj s TYR 122 Cb -0.10 -1.47 -0.03 0.00 -0.11 0.00 0.00 41.96 40.25 1yaj s TYR 122 CO 0.03 -0.84 0.01 -0.08 -1.11 0.00 0.00 175.55 173.56 1yaj s THR 123 N 1.35 4.20 -0.33 -0.71 -1.32 -0.71 -1.81 115.64 116.30 1yaj s THR 123 Ca 0.13 -0.24 0.12 0.00 -1.21 0.00 0.00 61.69 60.49 1yaj s THR 123 Cb -0.20 -2.88 0.73 0.00 -1.51 0.00 0.00 72.50 68.64 1yaj s THR 123 CO -0.17 0.46 1.63 -0.81 -2.21 0.00 0.00 174.62 173.51 1yaj n PRO 124 N 3.80 4.35 -3.41 7.08 -0.04 -1.26 -1.22 135.00 144.30 1yaj n PRO 124 Ca -0.17 -2.80 -0.20 0.00 -0.04 0.00 0.00 63.50 60.29 1yaj n PRO 124 Cb 0.52 -2.18 -0.00 0.00 -0.04 0.00 0.00 33.50 31.80 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 -2.59 4.15 -0.44 0.55 0.00 -1.26 -4.95 121.76 117.22 1yaj s ALA 125 Ca 0.49 -1.39 -0.23 0.00 0.00 0.00 0.00 51.96 50.83 1yaj s ALA 125 Cb 0.37 -1.75 0.02 0.00 0.00 0.00 0.00 23.12 21.76 1yaj s ALA 125 CO 0.14 -0.08 0.77 0.34 0.00 0.00 0.00 175.76 176.94 1yaj s ASP 126 N -4.17 6.42 0.49 0.00 -1.08 -1.26 -4.79 116.67 112.27 1yaj s ASP 126 Ca 0.45 -0.09 0.15 0.00 -0.52 0.00 0.00 52.55 52.54 1yaj s ASP 126 Cb -0.10 -2.38 1.17 0.00 -1.46 0.00 0.00 42.92 40.15 1yaj s ASP 126 CO 0.32 -0.89 2.09 -0.07 0.52 0.00 0.00 175.17 177.14 1yaj h LEU 127 N 10.07 0.15 -0.40 -1.34 3.38 -1.95 -2.73 115.31 122.49 1yaj h LEU 127 Ca -0.25 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.74 1yaj h LEU 127 Cb 1.09 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 1yaj h LEU 127 CO 0.95 0.10 0.22 0.71 0.09 0.00 0.00 178.44 180.51 1yaj h THR 128 N 0.17 1.01 -3.53 0.22 1.35 -1.99 -3.43 112.91 106.72 1yaj h THR 128 Ca 0.10 -0.15 -0.48 0.00 -0.55 0.00 0.00 66.41 65.32 1yaj h THR 128 Cb 0.18 0.52 0.04 0.00 -1.73 0.00 0.00 68.15 67.16 1yaj h THR 128 CO -0.02 0.08 0.11 -1.59 -0.25 0.00 0.00 175.52 173.86 1yaj s LYS 129 N -6.15 3.34 -0.66 4.72 -2.85 -1.03 -5.03 119.74 112.08 1yaj s LYS 129 Ca -0.13 0.09 -0.23 0.00 -1.00 0.00 0.00 55.97 54.70 1yaj s LYS 129 Cb 0.12 -2.36 0.07 0.00 -2.06 0.00 0.00 37.83 33.59 1yaj s LYS 129 CO 0.72 -0.34 0.99 0.21 0.10 0.00 0.00 175.35 177.03 1yaj s LYS 130 N -4.79 3.12 0.32 1.78 2.20 -1.26 -4.83 119.74 116.28 1yaj s LYS 130 Ca 0.49 -0.78 0.07 0.00 -0.36 0.00 0.00 55.97 55.39 1yaj s LYS 130 Cb -0.10 -4.22 -0.02 0.00 -1.51 0.00 0.00 37.83 31.98 1yaj s LYS 130 CO 0.44 -1.84 0.39 -0.80 -0.36 0.00 0.00 175.35 173.19 1yaj s ASN 131 N 3.67 5.81 -0.43 1.43 0.01 -1.26 -5.06 114.94 119.11 1yaj s ASN 131 Ca 0.23 -0.24 0.08 0.00 -0.71 0.00 0.00 52.86 52.22 1yaj s ASN 131 Cb -0.16 -1.25 0.34 0.00 0.41 0.00 0.00 41.25 40.58 1yaj s ASN 131 CO 0.11 -0.34 1.01 0.54 -1.51 0.00 0.00 177.10 176.91 1yaj n ARG 132 N -1.51 1.02 -1.94 -0.60 3.00 -1.02 -4.30 116.66 111.31 1yaj n ARG 132 Ca -0.02 -2.37 -0.32 0.00 -0.01 0.00 0.00 57.85 55.13 1yaj n ARG 132 Cb 0.58 -1.18 0.01 0.00 0.00 0.00 0.00 32.46 31.87 1yaj n ARG 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1yaj s LEU 133 N -2.38 3.37 0.45 0.55 1.02 0.29 -4.14 118.68 117.83 1yaj s LEU 133 Ca 0.27 1.65 -0.24 0.00 0.02 0.00 0.00 54.13 55.84 1yaj s LEU 133 Cb 0.32 -4.51 -0.07 0.00 0.02 0.00 0.00 46.19 41.94 1yaj s LEU 133 CO -0.06 -1.10 1.23 -2.16 0.02 0.00 0.00 176.35 174.28 1yaj s PRO 134 N -4.53 3.76 0.13 1.29 0.04 -1.26 0.15 135.00 134.58 1yaj s PRO 134 Ca 0.60 1.95 0.03 0.00 0.04 0.00 0.00 61.00 63.62 1yaj s PRO 134 Cb -0.13 -2.52 -0.04 0.00 0.04 0.00 0.00 34.50 31.85 1yaj s PRO 134 CO 0.44 -0.60 0.18 0.08 0.04 0.00 0.00 177.00 177.14 1yaj s VAL 135 N -1.41 4.89 -0.27 -0.36 1.01 -1.14 -2.53 120.40 120.59 1yaj s VAL 135 Ca 0.62 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 1yaj s VAL 135 Cb -0.33 -3.46 0.09 0.00 0.00 0.00 0.00 36.38 32.68 1yaj s VAL 135 CO 0.41 -0.02 0.11 -0.04 0.00 0.00 0.00 175.10 175.55 1yaj s MET 136 N -2.92 0.33 -0.12 2.72 -1.94 0.40 -0.07 119.30 117.69 1yaj s MET 136 Ca 0.32 -0.57 -0.22 0.00 -1.71 0.00 0.00 55.69 53.52 1yaj s MET 136 Cb -0.11 -1.54 -0.03 0.00 2.01 0.00 0.00 34.83 35.16 1yaj s MET 136 CO 0.25 -0.92 0.66 0.08 -0.01 0.00 0.00 175.02 175.08 1yaj s VAL 137 N 1.98 5.04 -0.19 -6.03 1.01 -0.13 -0.39 120.40 121.68 1yaj s VAL 137 Ca 0.07 1.31 -0.06 0.00 0.00 0.00 0.00 61.98 63.30 1yaj s VAL 137 Cb -0.16 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 1yaj s VAL 137 CO -0.27 0.20 0.03 0.86 0.00 0.00 0.00 175.10 175.92 1yaj s TRP 138 N 1.24 3.13 -0.42 5.22 -0.11 0.16 -1.87 118.94 126.28 1yaj s TRP 138 Ca 0.33 -0.20 -0.06 0.00 1.22 0.00 0.00 56.10 57.39 1yaj s TRP 138 Cb -0.17 -2.09 0.10 0.00 -1.50 0.00 0.00 33.47 29.82 1yaj s TRP 138 CO 0.14 -0.07 0.24 0.42 -4.62 0.00 0.00 176.95 173.06 1yaj s ILE 139 N 0.75 3.70 0.77 5.86 1.01 -0.49 -2.92 121.20 129.87 1yaj s ILE 139 Ca 0.02 -1.81 -0.13 0.00 0.00 0.00 0.00 60.65 58.73 1yaj s ILE 139 Cb -0.14 -3.42 0.06 0.00 0.01 0.00 0.00 42.46 38.97 1yaj s ILE 139 CO 0.02 -0.64 1.15 -1.38 0.00 0.00 0.00 174.94 174.09 1yaj s HIS 140 N 1.26 2.15 0.00 3.97 -3.43 -1.26 -3.57 115.29 114.41 1yaj s HIS 140 Ca 0.06 1.63 0.00 0.00 -0.80 0.00 0.00 55.06 55.95 1yaj s HIS 140 Cb -0.24 -3.30 0.00 0.00 -1.43 0.00 0.00 32.58 27.62 1yaj s HIS 140 CO -0.02 -2.33 0.00 0.41 -2.00 0.00 0.00 174.74 170.80 1yaj n GLY 141 N -0.15 0.92 0.00 -1.38 0.00 -1.06 -3.14 105.19 100.38 1yaj n GLY 141 Ca 0.12 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 5.00 1.74 2.56 -0.02 0.00 -1.26 -4.52 105.19 108.69 1yaj n GLY 142 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.25 1.71 2.41 -0.02 0.00 -1.26 -1.39 105.19 106.38 1yaj n GLY 143 Ca 0.00 -0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.30 -1.56 0.00 0.99 4.77 -1.26 -4.81 117.00 112.83 1yaj n LEU 144 Ca -0.20 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1yaj n LEU 144 Cb 0.65 -2.50 0.00 0.00 -2.33 0.00 0.00 43.42 39.24 1yaj n LEU 144 CO 0.30 -0.51 -0.36 0.23 -1.33 0.00 0.00 177.39 175.72 1yaj n MET 145 N -2.59 2.58 -4.14 3.23 2.81 -0.49 -1.92 117.12 116.60 1yaj n MET 145 Ca -0.19 0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 55.55 1yaj n MET 145 Cb 0.62 -0.86 -0.06 0.00 -0.71 0.00 0.00 33.22 32.21 1yaj n MET 145 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1yaj s VAL 146 N -1.72 0.00 0.00 2.03 -7.23 -0.77 -4.09 120.40 108.62 1yaj s VAL 146 Ca 0.00 -1.72 0.00 0.00 -1.81 0.00 0.00 61.98 58.45 1yaj s VAL 146 Cb 0.00 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.38 1yaj s VAL 146 CO 0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 1yaj n GLY 147 N -0.54 2.50 2.25 2.32 0.00 -1.26 -4.16 105.19 106.30 1yaj n GLY 147 Ca 0.02 -2.08 -0.07 0.00 0.00 0.00 0.00 46.02 43.89 1yaj n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj n ALA 148 N -0.41 -0.79 -0.06 4.61 0.00 -1.26 -4.56 120.51 118.05 1yaj n ALA 148 Ca 0.00 -0.87 -0.07 0.00 0.00 0.00 0.00 53.44 52.51 1yaj n ALA 148 Cb 0.00 0.69 -0.08 0.00 0.00 0.00 0.00 19.45 20.06 1yaj n ALA 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yaj n ALA 149 N -1.51 1.72 0.09 0.00 0.00 -1.26 -4.49 120.51 115.05 1yaj n ALA 149 Ca -0.10 -0.69 0.20 0.00 0.00 0.00 0.00 53.44 52.85 1yaj n ALA 149 Cb 0.37 0.06 0.75 0.00 0.00 0.00 0.00 19.45 20.63 1yaj n ALA 149 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1yaj h SER 150 N 0.00 0.00 -0.46 0.00 0.02 -1.90 -1.12 113.55 110.09 1yaj h SER 150 Ca -0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1yaj h SER 150 Cb 1.63 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.14 1yaj h SER 150 CO -0.00 0.00 0.30 0.74 -1.14 0.00 0.00 176.83 176.72 1yaj h THR 151 N 0.00 1.13 -3.59 -2.27 2.02 -1.92 -3.39 112.91 104.89 1yaj h THR 151 Ca 0.19 -0.26 -0.68 0.00 0.77 0.00 0.00 66.41 66.43 1yaj h THR 151 Cb 0.99 0.45 -0.18 0.00 -1.74 0.00 0.00 68.15 67.66 1yaj h THR 151 CO -0.00 0.13 -0.27 -0.31 0.37 0.00 0.00 175.52 175.43 1yaj s TYR 152 N -5.53 3.20 -0.18 3.16 1.51 -0.42 -4.29 117.35 114.79 1yaj s TYR 152 Ca -0.09 -0.26 -0.23 0.00 -1.01 0.00 0.00 57.07 55.49 1yaj s TYR 152 Cb 0.17 -2.76 -0.02 0.00 -0.11 0.00 0.00 41.96 39.25 1yaj s TYR 152 CO 0.74 -0.57 0.71 0.34 -1.11 0.00 0.00 175.55 175.66 1yaj s ASP 153 N 1.76 6.80 0.13 2.29 3.68 -1.26 -4.96 116.67 125.10 1yaj s ASP 153 Ca 0.11 0.97 0.24 0.00 2.13 0.00 0.00 52.55 56.00 1yaj s ASP 153 Cb -0.17 -2.39 0.24 0.00 -1.45 0.00 0.00 42.92 39.15 1yaj s ASP 153 CO 0.12 -0.32 1.23 1.23 0.13 0.00 0.00 175.17 177.57 1yaj h GLY 154 N 8.20 0.00 -0.36 2.66 0.00 -1.93 -3.41 103.07 108.23 1yaj h GLY 154 Ca -0.31 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.06 1yaj h GLY 154 CO 0.80 0.00 -0.18 -0.10 0.00 0.00 0.00 176.54 177.05 1yaj n LEU 155 N -2.20 -0.32 0.28 3.11 7.94 -1.26 -1.13 117.00 123.42 1yaj n LEU 155 Ca 0.02 0.64 -0.11 0.00 -1.11 0.00 0.00 56.01 55.46 1yaj n LEU 155 Cb 0.46 -0.11 -0.05 0.00 0.53 0.00 0.00 43.42 44.25 1yaj n LEU 155 CO 0.38 -0.55 0.50 0.00 -1.11 0.00 0.00 177.39 176.61 1yaj h ALA 156 N 0.32 -1.16 -0.90 1.96 0.00 -1.87 -2.35 119.26 115.25 1yaj h ALA 156 Ca 0.09 -0.16 0.17 0.00 0.00 0.00 0.00 54.91 55.01 1yaj h ALA 156 Cb 0.18 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 1yaj h ALA 156 CO -0.35 -1.10 0.58 1.25 0.00 0.00 0.00 179.25 179.63 1yaj h LEU 157 N -0.74 0.55 0.17 0.00 5.85 -1.47 -0.41 115.31 119.27 1yaj h LEU 157 Ca -0.07 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1yaj h LEU 157 Cb 0.55 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1yaj h LEU 157 CO 0.12 0.25 -0.09 0.00 -0.34 0.00 0.00 178.44 178.38 1yaj h ALA 158 N 1.61 -1.02 0.54 1.25 0.00 -1.07 -2.15 119.26 118.42 1yaj h ALA 158 Ca 0.47 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.30 1yaj h ALA 158 Cb 0.93 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.88 1yaj h ALA 158 CO -0.21 -1.00 -0.26 0.00 0.00 0.00 0.00 179.25 177.78 1yaj h ALA 159 N -1.82 -0.72 -0.77 0.00 0.00 -1.24 0.39 119.26 115.10 1yaj h ALA 159 Ca -0.02 -0.16 0.19 0.00 0.00 0.00 0.00 54.91 54.92 1yaj h ALA 159 Cb 0.19 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1yaj h ALA 159 CO 0.03 -0.90 0.53 0.45 0.00 0.00 0.00 179.25 179.37 1yaj h HIS 160 N -0.73 0.24 0.00 0.00 -0.00 -1.19 -2.89 115.15 110.58 1yaj h HIS 160 Ca -0.07 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.30 1yaj h HIS 160 Cb 0.56 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.89 1yaj h HIS 160 CO -0.03 0.08 0.00 0.39 -0.00 0.00 0.00 177.93 178.36 1yaj n GLU 161 N -4.40 2.03 -3.61 2.45 -0.58 -0.81 -5.03 120.64 110.69 1yaj n GLU 161 Ca 0.15 -1.24 -0.23 0.00 -0.42 0.00 0.00 57.16 55.42 1yaj n GLU 161 Cb 0.71 -0.98 0.02 0.00 -0.57 0.00 0.00 31.44 30.62 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 -0.37 -5.64 -3.93 1.62 4.05 0.13 -5.00 115.26 106.11 1yaj n ASN 162 Ca 0.00 -0.81 -0.09 0.00 0.45 0.00 0.00 54.58 54.13 1yaj n ASN 162 Cb 0.20 -3.08 -0.09 0.00 1.23 0.00 0.00 39.78 38.04 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 -3.20 0.14 -0.42 3.44 -7.23 -0.90 -4.78 120.40 107.45 1yaj s VAL 163 Ca 0.20 -1.17 -0.22 0.00 -1.81 0.00 0.00 61.98 58.98 1yaj s VAL 163 Cb -0.08 -1.01 0.02 0.00 0.56 0.00 0.00 36.38 35.87 1yaj s VAL 163 CO 0.86 -0.65 0.73 -0.69 -0.31 0.00 0.00 175.10 175.04 1yaj s VAL 164 N -2.89 4.74 -0.20 1.32 1.01 -1.05 -4.32 120.40 119.00 1yaj s VAL 164 Ca -0.03 0.42 -0.17 0.00 0.00 0.00 0.00 61.98 62.21 1yaj s VAL 164 Cb 0.01 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 1yaj s VAL 164 CO -0.06 -0.60 0.44 -0.69 0.00 0.00 0.00 175.10 174.19 1yaj s VAL 165 N 3.07 5.17 -0.17 2.92 1.01 -0.75 -0.45 120.40 131.19 1yaj s VAL 165 Ca 0.27 0.79 0.01 0.00 0.00 0.00 0.00 61.98 63.05 1yaj s VAL 165 Cb -0.13 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.52 1yaj s VAL 165 CO 0.20 0.22 -0.12 -0.69 0.00 0.00 0.00 175.10 174.71 1yaj s VAL 166 N 1.44 1.62 -0.15 2.92 1.01 0.47 -1.05 120.40 126.65 1yaj s VAL 166 Ca 0.21 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 1yaj s VAL 166 Cb -0.15 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 1yaj s VAL 166 CO 0.09 0.32 0.02 0.42 0.00 0.00 0.00 175.10 175.94 1yaj s THR 167 N 1.44 4.41 0.53 3.92 -4.23 -0.62 0.38 115.64 121.46 1yaj s THR 167 Ca 0.02 -0.18 0.05 0.00 -1.18 0.00 0.00 61.69 60.39 1yaj s THR 167 Cb -0.14 -2.94 0.02 0.00 1.34 0.00 0.00 72.50 70.78 1yaj s THR 167 CO -0.10 0.51 0.31 0.27 -0.54 0.00 0.00 174.62 175.07 1yaj s ILE 168 N 0.05 1.60 0.03 2.99 -4.36 -1.15 0.19 121.20 120.56 1yaj s ILE 168 Ca 0.03 -1.61 -0.01 0.00 -0.26 0.00 0.00 60.65 58.80 1yaj s ILE 168 Cb -0.13 -2.20 -0.03 0.00 1.25 0.00 0.00 42.46 41.35 1yaj s ILE 168 CO 0.02 0.00 -0.01 -1.10 0.24 0.00 0.00 174.94 174.09 1yaj s GLN 169 N -4.17 0.45 0.03 0.37 -0.21 -0.94 -4.20 119.66 110.99 1yaj s GLN 169 Ca 0.28 -0.84 -0.12 0.00 0.02 0.00 0.00 55.36 54.71 1yaj s GLN 169 Cb -0.01 0.16 0.01 0.00 1.00 0.00 0.00 33.01 34.17 1yaj s GLN 169 CO 0.17 -0.08 0.25 1.52 -2.12 0.00 0.00 175.29 175.03 1yaj s TYR 170 N -2.47 -0.05 0.27 0.91 1.13 -1.26 -4.56 117.35 111.32 1yaj s TYR 170 Ca -0.06 -0.07 -0.31 0.00 -1.41 0.00 0.00 57.07 55.22 1yaj s TYR 170 Cb -0.02 0.04 -0.12 0.00 -1.10 0.00 0.00 41.96 40.75 1yaj s TYR 170 CO -0.05 -0.44 1.52 0.54 -2.51 0.00 0.00 175.55 174.62 1yaj n ARG 171 N 0.82 2.44 -4.43 -3.49 1.74 -1.26 -4.83 116.66 107.65 1yaj n ARG 171 Ca -0.20 0.87 -0.28 0.00 -0.77 0.00 0.00 57.85 57.47 1yaj n ARG 171 Cb 0.58 -2.60 -0.07 0.00 -1.02 0.00 0.00 32.46 29.35 1yaj n ARG 171 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1yaj s LEU 172 N -0.21 2.73 0.00 0.55 1.43 -1.26 -3.96 118.68 117.96 1yaj s LEU 172 Ca 0.66 -1.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.39 1yaj s LEU 172 Cb -0.56 -1.03 0.00 0.00 0.03 0.00 0.00 46.19 44.63 1yaj s LEU 172 CO 0.49 -0.70 0.00 0.61 0.23 0.00 0.00 176.35 176.98 1yaj n GLY 173 N -1.25 1.94 0.32 -3.19 0.00 -0.81 -1.97 105.19 100.23 1yaj n GLY 173 Ca -0.08 -0.35 0.03 0.00 0.00 0.00 0.00 46.02 45.62 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 1.14 0.00 -0.61 2.04 -1.92 -1.04 117.51 117.12 1yaj h ILE 174 Ca 0.00 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1yaj h ILE 174 Cb 0.00 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1yaj h ILE 174 CO 0.00 0.13 0.00 0.79 0.00 0.00 0.00 178.15 179.07 1yaj n TRP 175 N -4.45 0.33 0.00 1.37 8.01 -0.83 -2.93 117.44 118.93 1yaj n TRP 175 Ca 0.05 0.15 0.00 0.00 -1.31 0.00 0.00 57.50 56.38 1yaj n TRP 175 Cb 0.05 -0.74 0.00 0.00 -2.01 0.00 0.00 31.31 28.62 1yaj n TRP 175 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1yaj n GLY 176 N -0.68 0.25 0.76 6.99 0.00 -0.46 -4.62 105.19 107.43 1yaj n GLY 176 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.31 0.00 -2.36 1.61 3.72 -0.81 -0.02 117.46 118.29 1yaj n PHE 177 Ca 0.00 -0.13 -0.36 0.00 -0.05 0.00 0.00 57.45 56.91 1yaj n PHE 177 Cb 0.00 -0.07 -0.03 0.00 -0.94 0.00 0.00 39.48 38.43 1yaj n PHE 177 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 1yaj s PHE 178 N 0.00 2.30 -0.10 1.38 2.19 -1.15 -4.66 117.98 117.94 1yaj s PHE 178 Ca 0.09 -0.40 -0.04 0.00 0.33 0.00 0.00 56.93 56.90 1yaj s PHE 178 Cb 0.10 -4.44 -0.04 0.00 -1.31 0.00 0.00 43.02 37.33 1yaj s PHE 178 CO -0.04 -1.77 0.07 -1.54 1.83 0.00 0.00 175.22 173.76 1yaj s SER 179 N 5.90 5.78 0.00 6.13 1.04 -1.26 -4.58 113.70 126.70 1yaj s SER 179 Ca 0.57 0.29 0.25 0.00 0.48 0.00 0.00 55.95 57.54 1yaj s SER 179 Cb -0.01 -1.76 0.45 0.00 0.10 0.00 0.00 66.02 64.79 1yaj s SER 179 CO -0.01 0.38 1.39 0.35 0.98 0.00 0.00 173.24 176.33 1yaj n THR 180 N 2.12 0.00 0.00 2.02 -2.24 -0.81 -4.55 114.28 110.82 1yaj n THR 180 Ca -0.19 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1yaj n THR 180 Cb 0.54 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.84 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 1.31 2.86 0.00 3.38 0.00 -1.26 -4.29 105.19 107.19 1yaj n GLY 181 Ca 0.14 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 0.96 0.00 -0.07 1.61 3.85 -1.26 -4.93 116.55 116.70 1yaj n ASP 182 Ca 0.00 -0.70 0.00 0.00 -0.71 0.00 0.00 54.79 53.38 1yaj n ASP 182 Cb 0.00 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 1yaj n ASP 182 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 1yaj n GLU 183 N -0.70 0.79 -0.68 0.11 0.00 -1.26 -3.15 120.64 115.75 1yaj n GLU 183 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 57.16 57.24 1yaj n GLU 183 Cb 0.00 -1.06 0.35 0.00 0.00 0.00 0.00 31.44 30.74 1yaj n GLU 183 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1yaj n HIS 184 N -0.41 1.59 0.00 -1.84 8.25 -1.26 -4.65 115.22 116.91 1yaj n HIS 184 Ca 0.00 -0.69 0.00 0.00 -0.26 0.00 0.00 57.72 56.77 1yaj n HIS 184 Cb 0.03 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 30.79 1yaj n HIS 184 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1yaj n SER 185 N 0.67 0.00 -0.18 0.41 2.88 -1.22 -4.83 113.62 111.34 1yaj n SER 185 Ca 0.25 0.00 0.25 0.00 -1.33 0.00 0.00 58.87 58.04 1yaj n SER 185 Cb 0.99 0.00 0.66 0.00 -0.75 0.00 0.00 64.21 65.11 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 0.11 0.00 -1.46 3.08 -1.81 -2.16 114.38 112.14 1yaj h ARG 186 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1yaj h ARG 186 Cb 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1yaj h ARG 186 CO 0.00 0.08 0.00 0.41 -1.07 0.00 0.00 179.97 179.39 1yaj n GLY 187 N -1.65 -1.77 2.41 0.04 0.00 -1.26 -4.71 105.19 98.24 1yaj n GLY 187 Ca 0.18 -1.94 -0.19 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 0.12 -5.48 -0.27 1.61 3.02 -1.25 -4.90 115.26 108.11 1yaj n ASN 188 Ca 0.00 0.10 0.04 0.00 -0.03 0.00 0.00 54.58 54.69 1yaj n ASN 188 Cb 0.00 -4.56 0.18 0.00 -0.61 0.00 0.00 39.78 34.79 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 0.71 -0.59 3.10 -0.00 -0.79 -0.72 115.95 117.66 1yaj h TRP 189 Ca -0.44 0.03 0.07 0.00 -0.00 0.00 0.00 58.89 58.55 1yaj h TRP 189 Cb 1.32 -0.20 -0.06 0.00 -0.00 0.00 0.00 29.16 30.22 1yaj h TRP 189 CO 0.52 0.21 0.27 0.78 -0.00 0.00 0.00 178.44 180.22 1yaj h GLY 190 N 0.62 0.83 1.99 1.49 0.00 -1.31 0.19 103.07 106.88 1yaj h GLY 190 Ca 0.41 -0.17 -0.11 0.00 0.00 0.00 0.00 47.33 47.46 1yaj h GLY 190 CO -0.32 0.07 -0.50 0.45 0.00 0.00 0.00 176.54 176.23 1yaj h HIS 191 N 0.50 0.02 -0.02 5.60 3.86 -1.59 -1.83 115.15 121.70 1yaj h HIS 191 Ca 0.28 -0.01 -0.14 0.00 -1.16 0.00 0.00 60.37 59.34 1yaj h HIS 191 Cb 0.25 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 1yaj h HIS 191 CO -0.12 0.52 -0.63 -0.07 0.86 0.00 0.00 177.93 178.48 1yaj h LEU 192 N 0.01 0.09 -0.77 2.43 3.38 -0.18 -1.71 115.31 118.56 1yaj h LEU 192 Ca -0.00 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 1yaj h LEU 192 Cb 0.89 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1yaj h LEU 192 CO 0.07 0.70 -0.57 0.44 0.09 0.00 0.00 178.44 179.16 1yaj h ASP 193 N 0.06 0.15 -0.35 -0.43 3.32 -0.22 -1.94 116.42 117.02 1yaj h ASP 193 Ca -0.01 -0.08 -0.10 0.00 0.02 0.00 0.00 57.03 56.86 1yaj h ASP 193 Cb 1.12 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 1yaj h ASP 193 CO 0.09 0.69 -0.16 1.56 -1.72 0.00 0.00 179.24 179.70 1yaj h GLN 194 N 0.10 0.73 -0.51 3.56 4.20 -1.14 -0.70 115.11 121.35 1yaj h GLN 194 Ca -0.00 -0.31 -0.05 0.00 0.06 0.00 0.00 58.65 58.35 1yaj h GLN 194 Cb 1.04 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.77 1yaj h GLN 194 CO 0.08 0.92 0.13 0.28 -0.67 0.00 0.00 178.83 179.57 1yaj h VAL 195 N 0.51 1.22 0.00 -0.54 2.07 -1.14 -1.79 116.25 116.58 1yaj h VAL 195 Ca 0.08 -0.77 -0.09 0.00 0.82 0.00 0.00 66.70 66.74 1yaj h VAL 195 Cb 0.69 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1yaj h VAL 195 CO 0.05 0.29 -0.42 0.00 0.02 0.00 0.00 177.57 177.51 1yaj h ALA 196 N 1.39 1.22 -0.06 1.67 0.00 -1.01 -0.53 119.26 121.93 1yaj h ALA 196 Ca 0.17 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1yaj h ALA 196 Cb 0.27 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1yaj h ALA 196 CO -0.00 0.52 -0.04 0.00 0.00 0.00 0.00 179.25 179.73 1yaj h ALA 197 N 1.58 0.08 -0.42 0.00 0.00 -0.43 -2.16 119.26 117.91 1yaj h ALA 197 Ca -0.00 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 54.75 1yaj h ALA 197 Cb 0.78 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1yaj h ALA 197 CO 0.05 -0.16 0.29 -0.07 0.00 0.00 0.00 179.25 179.37 1yaj h LEU 198 N -0.28 0.15 -0.24 0.00 3.38 -0.86 -1.02 115.31 116.44 1yaj h LEU 198 Ca 0.01 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 1yaj h LEU 198 Cb 0.50 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1yaj h LEU 198 CO 0.01 0.09 -0.30 0.03 0.09 0.00 0.00 178.44 178.36 1yaj h ARG 199 N 0.17 0.63 -0.81 1.13 3.08 -0.91 -2.24 114.38 115.42 1yaj h ARG 199 Ca 0.19 -0.36 0.06 0.00 0.07 0.00 0.00 59.98 59.95 1yaj h ARG 199 Cb 0.55 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.57 1yaj h ARG 199 CO -0.03 0.96 0.50 2.35 -1.07 0.00 0.00 179.97 182.68 1yaj h TRP 200 N 0.34 0.92 -0.59 3.04 7.01 -0.56 0.21 115.95 126.31 1yaj h TRP 200 Ca 0.03 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.02 1yaj h TRP 200 Cb 0.88 -0.29 -0.03 0.00 -2.10 0.00 0.00 29.16 27.62 1yaj h TRP 200 CO 0.08 0.47 0.23 0.28 -2.79 0.00 0.00 178.44 176.71 1yaj h VAL 201 N 0.91 1.21 0.59 2.65 2.07 -1.25 -2.79 116.25 119.65 1yaj h VAL 201 Ca 0.36 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1yaj h VAL 201 Cb 0.16 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1yaj h VAL 201 CO -0.17 0.27 -0.35 1.56 0.02 0.00 0.00 177.57 178.90 1yaj h GLN 202 N 0.85 -0.86 -1.82 1.57 1.08 -0.33 -2.35 115.11 113.25 1yaj h GLN 202 Ca 0.20 0.06 -0.73 0.00 -1.45 0.00 0.00 58.65 56.73 1yaj h GLN 202 Cb 0.18 0.19 -0.30 0.00 -0.05 0.00 0.00 27.48 27.50 1yaj h GLN 202 CO -0.02 -0.57 0.69 -0.40 -0.95 0.00 0.00 178.83 177.58 1yaj n ASP 203 N -5.49 6.98 0.00 1.46 5.75 -1.00 -4.55 116.55 119.71 1yaj n ASP 203 Ca -0.13 -3.81 0.00 0.00 -0.01 0.00 0.00 54.79 50.84 1yaj n ASP 203 Cb 0.38 -0.94 0.00 0.00 -1.03 0.00 0.00 41.12 39.53 1yaj n ASP 203 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1yaj n ASN 204 N -0.56 0.00 0.25 -1.12 3.02 -1.06 -4.71 115.26 111.08 1yaj n ASN 204 Ca 0.52 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 55.17 1yaj n ASN 204 Cb 0.35 0.28 0.56 0.00 -0.61 0.00 0.00 39.78 40.36 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 0.00 0.00 2.41 6.09 -1.58 0.18 117.51 124.62 1yaj h ILE 205 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1yaj h ILE 205 Cb 0.00 0.45 0.00 0.00 0.47 0.00 0.00 36.82 37.74 1yaj h ILE 205 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.08 1yaj n ALA 206 N -1.71 1.56 0.41 0.18 0.00 -1.25 -1.43 120.51 118.26 1yaj n ALA 206 Ca -0.01 0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.65 1yaj n ALA 206 Cb 0.37 -1.39 0.06 0.00 0.00 0.00 0.00 19.45 18.49 1yaj n ALA 206 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1yaj n SER 207 N -2.28 0.68 -1.49 0.00 7.64 0.65 -3.85 113.62 114.96 1yaj n SER 207 Ca 0.01 0.07 0.09 0.00 1.01 0.00 0.00 58.87 60.06 1yaj n SER 207 Cb 0.20 0.54 0.34 0.00 -1.01 0.00 0.00 64.21 64.28 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 -2.24 1.33 -0.69 1.43 3.01 -0.56 -4.78 117.46 114.95 1yaj n PHE 208 Ca 0.02 -0.55 0.00 0.00 1.01 0.00 0.00 57.45 57.93 1yaj n PHE 208 Cb 0.48 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.76 1yaj n PHE 208 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yaj n GLY 209 N 1.22 0.70 4.00 1.37 0.00 -1.19 -4.76 105.19 106.52 1yaj n GLY 209 Ca 0.24 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.08 1yaj n GLY 209 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1yaj s GLY 210 N -1.93 1.90 -0.35 -0.02 0.00 -0.51 -0.55 107.32 105.85 1yaj s GLY 210 Ca 0.00 -1.56 0.01 0.00 0.00 0.00 0.00 44.72 43.17 1yaj s GLY 210 CO 0.00 -1.34 0.08 0.21 0.00 0.00 0.00 173.10 172.06 1yaj s ASN 211 N -4.39 4.91 0.00 1.64 2.47 0.40 -3.87 114.94 116.11 1yaj s ASN 211 Ca 0.56 -1.98 0.00 0.00 0.42 0.00 0.00 52.86 51.87 1yaj s ASN 211 Cb -0.10 -1.70 0.00 0.00 -1.45 0.00 0.00 41.25 38.00 1yaj s ASN 211 CO 0.35 -0.41 0.32 -0.81 -3.72 0.00 0.00 177.10 172.84 1yaj n PRO 212 N 4.41 0.00 -0.39 0.43 -0.04 -1.26 -0.73 135.00 137.42 1yaj n PRO 212 Ca -0.01 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.53 1yaj n PRO 212 Cb 0.42 -1.35 0.26 0.00 -0.04 0.00 0.00 33.50 32.79 1yaj n PRO 212 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1yaj n GLY 213 N -0.81 3.03 2.70 0.55 0.00 -1.26 -4.56 105.19 104.85 1yaj n GLY 213 Ca 0.00 -0.71 -0.03 0.00 0.00 0.00 0.00 46.02 45.28 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 0.57 -0.90 -4.75 1.61 2.88 0.09 -4.98 113.62 108.13 1yaj n SER 214 Ca 0.19 -2.28 -0.40 0.00 -1.33 0.00 0.00 58.87 55.05 1yaj n SER 214 Cb 0.69 0.50 -0.05 0.00 -0.75 0.00 0.00 64.21 64.61 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 -0.69 3.77 -0.17 2.46 1.01 -1.25 -2.90 120.40 122.63 1yaj s VAL 215 Ca 0.16 1.72 -0.00 0.00 0.00 0.00 0.00 61.98 63.85 1yaj s VAL 215 Cb 0.42 -4.09 0.04 0.00 0.00 0.00 0.00 36.38 32.75 1yaj s VAL 215 CO -0.10 0.38 -0.07 -0.89 0.00 0.00 0.00 175.10 174.43 1yaj s THR 216 N -0.93 1.24 0.08 3.92 2.01 0.90 -1.45 115.64 121.41 1yaj s THR 216 Ca 0.45 -0.68 -0.09 0.00 0.31 0.00 0.00 61.69 61.68 1yaj s THR 216 Cb -0.29 -1.37 -0.06 0.00 0.01 0.00 0.00 72.50 70.79 1yaj s THR 216 CO 0.37 0.18 0.38 0.27 -0.69 0.00 0.00 174.62 175.13 1yaj s ILE 217 N 1.58 5.13 -0.17 1.82 -4.36 -0.85 -0.96 121.20 123.39 1yaj s ILE 217 Ca 0.01 0.34 -0.28 0.00 -0.26 0.00 0.00 60.65 60.46 1yaj s ILE 217 Cb -0.15 -3.63 0.10 0.00 1.25 0.00 0.00 42.46 40.02 1yaj s ILE 217 CO -0.08 0.25 0.84 0.72 0.24 0.00 0.00 174.94 176.91 1yaj s PHE 218 N -1.44 -0.58 0.24 1.37 -0.71 -0.78 -0.73 117.98 115.36 1yaj s PHE 218 Ca 0.34 1.19 -0.22 0.00 -1.04 0.00 0.00 56.93 57.20 1yaj s PHE 218 Cb -0.13 0.38 0.03 0.00 -1.21 0.00 0.00 43.02 42.09 1yaj s PHE 218 CO 0.19 -0.41 0.70 0.20 -1.34 0.00 0.00 175.22 174.56 1yaj s GLY 219 N -0.52 -0.23 0.16 1.99 0.00 -0.92 -1.40 107.32 106.39 1yaj s GLY 219 Ca -0.03 -0.09 0.10 0.00 0.00 0.00 0.00 44.72 44.70 1yaj s GLY 219 CO 0.03 -0.02 -0.20 1.85 0.00 0.00 0.00 173.10 174.76 1yaj s GLU 220 N -3.85 1.68 7.00 2.90 2.12 -1.23 -0.49 118.70 126.82 1yaj s GLU 220 Ca 0.09 -1.34 0.00 0.00 0.36 0.00 0.00 54.97 54.07 1yaj s GLU 220 Cb -0.05 -1.99 0.00 0.00 0.26 0.00 0.00 34.13 32.35 1yaj s GLU 220 CO 0.02 0.44 0.00 0.45 -0.54 0.00 0.00 175.26 175.63 1yaj n SER 221 N 0.48 0.00 -0.31 -1.70 2.88 -0.95 -0.59 113.62 113.43 1yaj n SER 221 Ca -0.14 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.51 1yaj n SER 221 Cb 0.54 0.00 0.34 0.00 -0.75 0.00 0.00 64.21 64.34 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 -0.87 1.74 -0.20 -1.46 0.00 -1.86 1.37 119.26 117.97 1yaj h ALA 222 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1yaj h ALA 222 Cb 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1yaj h ALA 222 CO 0.00 -0.02 0.06 0.78 0.00 0.00 0.00 179.25 180.07 1yaj h GLY 223 N 0.77 0.34 0.27 0.00 0.00 -0.79 0.61 103.07 104.27 1yaj h GLY 223 Ca 0.49 -0.21 0.14 0.00 0.00 0.00 0.00 47.33 47.76 1yaj h GLY 223 CO -0.26 0.20 0.49 -1.33 0.00 0.00 0.00 176.54 175.63 1yaj h GLY 224 N 0.15 1.46 0.79 4.60 0.00 0.24 0.50 103.07 110.81 1yaj h GLY 224 Ca 0.06 -0.29 -0.11 0.00 0.00 0.00 0.00 47.33 47.00 1yaj h GLY 224 CO -0.00 -0.00 -0.34 -2.09 0.00 0.00 0.00 176.54 174.11 1yaj h GLU 225 N 0.70 0.45 -1.00 4.80 4.22 0.49 -2.89 114.58 121.35 1yaj h GLU 225 Ca 0.48 -0.31 0.28 0.00 0.08 0.00 0.00 59.36 59.88 1yaj h GLU 225 Cb 0.64 0.05 -0.14 0.00 0.50 0.00 0.00 28.75 29.80 1yaj h GLU 225 CO -0.34 0.93 0.58 0.77 -2.18 0.00 0.00 179.01 178.77 1yaj h SER 226 N 0.04 0.60 0.37 1.04 0.02 0.21 0.23 113.55 116.06 1yaj h SER 226 Ca -0.01 0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 1yaj h SER 226 Cb 0.95 0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.57 1yaj h SER 226 CO 0.07 -0.00 -0.18 0.58 -1.14 0.00 0.00 176.83 176.16 1yaj h VAL 227 N 0.47 0.00 -0.98 2.27 2.07 -0.85 -0.46 116.25 118.77 1yaj h VAL 227 Ca 0.68 -0.08 0.13 0.00 0.82 0.00 0.00 66.70 68.25 1yaj h VAL 227 Cb 1.41 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 31.04 1yaj h VAL 227 CO -0.53 0.00 -0.45 -0.24 0.02 0.00 0.00 177.57 176.37 1yaj n SER 228 N -3.58 -0.77 -0.25 0.57 2.88 -0.10 0.11 113.62 112.47 1yaj n SER 228 Ca -0.06 1.72 0.04 0.00 -1.33 0.00 0.00 58.87 59.23 1yaj n SER 228 Cb 0.20 -0.33 0.13 0.00 -0.75 0.00 0.00 64.21 63.46 1yaj n SER 228 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1yaj h VAL 229 N 0.00 0.36 0.00 2.46 2.07 -0.57 0.24 116.25 120.80 1yaj h VAL 229 Ca 0.28 -0.03 -0.06 0.00 0.82 0.00 0.00 66.70 67.71 1yaj h VAL 229 Cb 0.52 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1yaj h VAL 229 CO -0.95 0.02 -0.28 -0.07 0.02 0.00 0.00 177.57 176.30 1yaj h LEU 230 N 0.09 0.00 -0.92 2.57 3.38 0.14 -0.43 115.31 120.14 1yaj h LEU 230 Ca 0.38 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.27 1yaj h LEU 230 Cb 0.66 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1yaj h LEU 230 CO -0.65 0.28 -0.15 0.58 0.09 0.00 0.00 178.44 178.59 1yaj h VAL 231 N 0.00 1.25 0.00 1.22 2.07 0.10 -2.86 116.25 118.03 1yaj h VAL 231 Ca -0.00 -1.15 -0.22 0.00 0.82 0.00 0.00 66.70 66.15 1yaj h VAL 231 Cb 0.50 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1yaj h VAL 231 CO 0.04 0.38 -1.15 -0.07 0.02 0.00 0.00 177.57 176.79 1yaj h LEU 232 N 0.57 0.00 -9.80 2.57 3.38 -0.96 -3.47 115.31 107.61 1yaj h LEU 232 Ca 0.10 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.54 1yaj h LEU 232 Cb 0.58 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.38 1yaj h LEU 232 CO 0.04 0.92 0.64 -0.55 0.09 0.00 0.00 178.44 179.58 1yaj s SER 233 N -6.47 6.84 0.00 -0.43 0.15 -0.21 -4.92 113.70 108.66 1yaj s SER 233 Ca -0.00 2.57 0.24 0.00 0.70 0.00 0.00 55.95 59.45 1yaj s SER 233 Cb 0.09 -2.63 1.05 0.00 -1.71 0.00 0.00 66.02 62.81 1yaj s SER 233 CO 0.81 -0.52 1.77 -2.65 1.20 0.00 0.00 173.24 173.85 1yaj n PRO 234 N 1.56 0.05 0.09 5.44 -0.02 -1.26 -3.01 135.00 137.85 1yaj n PRO 234 Ca 0.03 0.09 -0.15 0.00 -2.02 0.00 0.00 63.50 61.44 1yaj n PRO 234 Cb 0.42 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.26 1yaj n PRO 234 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1yaj h LEU 235 N 0.00 0.36 -1.11 2.45 3.38 -1.88 -3.25 115.31 115.27 1yaj h LEU 235 Ca 0.00 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1yaj h LEU 235 Cb 0.38 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1yaj h LEU 235 CO 0.00 1.33 0.00 0.00 0.09 0.00 0.00 178.44 179.86 1yaj h ALA 236 N 0.62 1.00 -0.93 1.53 0.00 -1.75 -3.46 119.26 116.28 1yaj h ALA 236 Ca -0.15 0.00 -0.75 0.00 0.00 0.00 0.00 54.91 54.02 1yaj h ALA 236 Cb 1.96 0.00 0.04 0.00 0.00 0.00 0.00 17.79 19.79 1yaj h ALA 236 CO 0.18 0.00 0.16 1.17 0.00 0.00 0.00 179.25 180.76 1yaj n LYS 237 N -2.90 0.00 -0.79 0.00 4.81 -1.23 -0.37 118.16 117.67 1yaj n LYS 237 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1yaj n LYS 237 Cb 0.32 -1.39 0.00 0.00 0.02 0.00 0.00 35.03 33.98 1yaj n LYS 237 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1yaj n ASN 238 N 1.80 -0.66 -0.69 3.14 3.02 -1.26 -4.80 115.26 115.81 1yaj n ASN 238 Ca 0.20 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.86 1yaj n ASN 238 Cb 0.05 -1.32 0.33 0.00 -0.61 0.00 0.00 39.78 38.23 1yaj n ASN 238 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1yaj n LEU 239 N 0.00 2.07 -3.75 3.41 4.77 0.50 -4.93 117.00 119.06 1yaj n LEU 239 Ca 0.00 -0.87 -0.02 0.00 -0.03 0.00 0.00 56.01 55.08 1yaj n LEU 239 Cb 0.04 -0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 40.98 1yaj n LEU 239 CO 0.00 0.44 0.82 0.72 -1.33 0.00 0.00 177.39 178.03 1yaj s PHE 240 N -1.72 -0.08 0.00 -1.77 -0.71 -1.26 -4.91 117.98 107.53 1yaj s PHE 240 Ca 0.33 -0.19 0.00 0.00 -1.04 0.00 0.00 56.93 56.03 1yaj s PHE 240 Cb 0.18 0.63 0.00 0.00 -1.21 0.00 0.00 43.02 42.62 1yaj s PHE 240 CO 0.27 -0.71 0.00 0.72 -1.34 0.00 0.00 175.22 174.16 1yaj n HIS 241 N -0.52 0.00 -3.74 3.49 8.25 -0.53 -4.94 115.22 117.24 1yaj n HIS 241 Ca -0.06 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.26 1yaj n HIS 241 Cb 0.61 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.63 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 -0.47 0.59 0.05 -0.41 0.52 -1.18 -3.95 118.95 114.10 1yaj s ARG 242 Ca 0.00 0.18 0.02 0.00 -0.52 0.00 0.00 55.73 55.41 1yaj s ARG 242 Cb 0.00 0.27 -0.03 0.00 0.52 0.00 0.00 34.95 35.72 1yaj s ARG 242 CO 0.00 -0.13 -0.07 0.00 0.02 0.00 0.00 175.30 175.12 1yaj s ALA 243 N -0.60 0.57 -0.07 2.13 0.00 -0.81 -2.02 121.76 120.96 1yaj s ALA 243 Ca -0.07 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.06 1yaj s ALA 243 Cb -0.04 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.18 1yaj s ALA 243 CO 0.03 -0.06 0.01 0.42 0.00 0.00 0.00 175.76 176.16 1yaj s ILE 244 N -1.66 0.29 -0.33 0.00 1.01 0.09 -1.85 121.20 118.76 1yaj s ILE 244 Ca -0.08 0.17 -0.06 0.00 0.00 0.00 0.00 60.65 60.69 1yaj s ILE 244 Cb -0.08 -0.47 0.04 0.00 0.01 0.00 0.00 42.46 41.96 1yaj s ILE 244 CO -0.00 0.24 0.08 -0.44 0.00 0.00 0.00 174.94 174.82 1yaj s SER 245 N 2.01 5.21 -0.30 3.58 0.01 0.09 -2.17 113.70 122.13 1yaj s SER 245 Ca 0.05 -1.09 -0.15 0.00 1.31 0.00 0.00 55.95 56.07 1yaj s SER 245 Cb -0.12 -1.84 -0.03 0.00 0.21 0.00 0.00 66.02 64.23 1yaj s SER 245 CO -0.05 -0.29 0.36 -1.61 0.41 0.00 0.00 173.24 172.05 1yaj s GLU 246 N 1.40 3.83 -0.76 12.44 2.02 0.35 -2.80 118.70 135.18 1yaj s GLU 246 Ca -0.01 -0.17 -0.02 0.00 0.02 0.00 0.00 54.97 54.79 1yaj s GLU 246 Cb -0.19 -3.72 0.00 0.00 0.10 0.00 0.00 34.13 30.33 1yaj s GLU 246 CO 0.02 -0.37 0.66 0.43 0.02 0.00 0.00 175.26 176.02 1yaj n SER 247 N 5.34 -6.58 0.00 -0.19 7.64 -0.45 -2.25 113.62 117.13 1yaj n SER 247 Ca -0.09 -0.41 0.00 0.00 1.01 0.00 0.00 58.87 59.38 1yaj n SER 247 Cb 0.50 -3.78 0.00 0.00 -1.01 0.00 0.00 64.21 59.92 1yaj n SER 247 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yaj n GLY 248 N -1.63 4.70 2.12 0.23 0.00 -1.26 -2.59 105.19 106.75 1yaj n GLY 248 Ca -0.13 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 45.04 1yaj n GLY 248 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1yaj n VAL 249 N -1.66 0.00 0.24 1.61 0.24 -1.26 -3.94 118.33 113.56 1yaj n VAL 249 Ca 0.00 -1.37 0.13 0.00 -2.04 0.00 0.00 64.34 61.06 1yaj n VAL 249 Cb 0.00 0.75 0.44 0.00 -1.47 0.00 0.00 33.84 33.56 1yaj n VAL 249 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1yaj h ALA 250 N 1.75 0.98 -0.09 2.33 0.00 -1.87 -2.89 119.26 119.47 1yaj h ALA 250 Ca -0.16 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1yaj h ALA 250 Cb 0.77 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1yaj h ALA 250 CO 0.23 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.87 1yaj n LEU 251 N -3.17 0.63 -4.55 0.00 4.77 -1.26 -4.67 117.00 108.74 1yaj n LEU 251 Ca 0.02 -0.29 -0.41 0.00 -0.03 0.00 0.00 56.01 55.30 1yaj n LEU 251 Cb 0.43 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 1yaj n LEU 251 CO 0.31 0.14 1.44 -0.89 -1.33 0.00 0.00 177.39 177.07 1yaj s THR 252 N -1.89 3.99 0.13 -5.08 2.01 -1.09 -4.93 115.64 108.79 1yaj s THR 252 Ca 0.21 -0.85 -0.26 0.00 0.31 0.00 0.00 61.69 61.10 1yaj s THR 252 Cb 0.10 -5.04 -0.06 0.00 0.01 0.00 0.00 72.50 67.52 1yaj s THR 252 CO 0.16 -1.90 1.31 -1.20 -0.69 0.00 0.00 174.62 172.30 1yaj n SER 253 N 8.68 -0.88 -0.14 3.53 7.64 -1.26 -1.03 113.62 130.16 1yaj n SER 253 Ca 0.32 1.51 0.25 0.00 1.01 0.00 0.00 58.87 61.97 1yaj n SER 253 Cb 0.51 -0.21 0.42 0.00 -1.01 0.00 0.00 64.21 63.92 1yaj n SER 253 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 1yaj h VAL 254 N 0.00 0.02 -0.04 0.44 3.04 -1.84 0.53 116.25 118.40 1yaj h VAL 254 Ca 0.13 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.82 1yaj h VAL 254 Cb 0.34 0.05 0.00 0.00 -2.01 0.00 0.00 31.29 29.67 1yaj h VAL 254 CO -0.78 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 175.96 1yaj n LEU 255 N -3.20 2.16 -3.66 3.16 4.77 -0.19 -4.70 117.00 115.34 1yaj n LEU 255 Ca 0.20 -1.05 -0.29 0.00 -0.03 0.00 0.00 56.01 54.84 1yaj n LEU 255 Cb 1.42 -0.01 -0.15 0.00 -2.33 0.00 0.00 43.42 42.34 1yaj n LEU 255 CO 0.21 0.41 -0.34 -0.69 -1.33 0.00 0.00 177.39 175.66 1yaj s VAL 256 N -1.11 0.45 -0.14 4.08 1.01 0.19 -1.94 120.40 122.94 1yaj s VAL 256 Ca 0.16 -1.01 -0.26 0.00 0.00 0.00 0.00 61.98 60.88 1yaj s VAL 256 Cb 0.11 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 1yaj s VAL 256 CO 0.17 -0.61 0.83 -0.54 0.00 0.00 0.00 175.10 174.95 1yaj s LYS 257 N 1.84 4.34 -0.03 2.72 -0.14 -0.94 -4.76 119.74 122.77 1yaj s LYS 257 Ca 0.08 1.04 0.05 0.00 -1.36 0.00 0.00 55.97 55.79 1yaj s LYS 257 Cb -0.17 -3.55 -0.02 0.00 -1.68 0.00 0.00 37.83 32.41 1yaj s LYS 257 CO -0.26 -0.26 -0.19 0.15 -0.76 0.00 0.00 175.35 174.03 1yaj s LYS 258 N 1.88 2.32 0.00 1.68 1.02 -1.26 -4.51 119.74 120.87 1yaj s LYS 258 Ca 0.40 -0.81 0.00 0.00 0.02 0.00 0.00 55.97 55.58 1yaj s LYS 258 Cb -0.17 -2.24 0.00 0.00 -0.52 0.00 0.00 37.83 34.90 1yaj s LYS 258 CO 0.14 0.59 0.00 0.41 -0.92 0.00 0.00 175.35 175.58 1yaj n GLY 259 N 2.26 1.95 3.44 -3.33 0.00 -1.26 -4.93 105.19 103.32 1yaj n GLY 259 Ca -0.17 -2.01 -0.47 0.00 0.00 0.00 0.00 46.02 43.37 1yaj n GLY 259 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1yaj n ASP 260 N 0.00 1.02 -0.25 1.61 2.03 -1.26 -4.76 116.55 114.94 1yaj n ASP 260 Ca 0.00 0.24 0.12 0.00 0.52 0.00 0.00 54.79 55.67 1yaj n ASP 260 Cb 0.00 -1.07 0.23 0.00 -0.72 0.00 0.00 41.12 39.55 1yaj n ASP 260 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1yaj n VAL 261 N 7.28 0.00 -0.25 5.18 0.24 -1.26 -4.43 118.33 125.09 1yaj n VAL 261 Ca 0.55 -0.13 0.06 0.00 -2.04 0.00 0.00 64.34 62.78 1yaj n VAL 261 Cb 0.12 0.63 0.18 0.00 -1.47 0.00 0.00 33.84 33.31 1yaj n VAL 261 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1yaj h LYS 262 N 1.22 0.21 -0.99 7.34 1.63 -1.86 0.35 116.57 124.48 1yaj h LYS 262 Ca 0.00 -0.01 0.10 0.00 -0.85 0.00 0.00 60.65 59.89 1yaj h LYS 262 Cb 0.57 -0.05 -0.08 0.00 -0.60 0.00 0.00 32.23 32.07 1yaj h LYS 262 CO 0.00 0.14 0.62 -1.35 -3.45 0.00 0.00 179.45 175.41 1yaj h PRO 263 N 0.22 0.99 -0.69 1.90 0.11 -1.93 0.16 132.00 132.76 1yaj h PRO 263 Ca 0.42 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.40 1yaj h PRO 263 Cb 0.74 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.60 1yaj h PRO 263 CO -0.56 0.66 0.15 1.25 -0.21 0.00 0.00 178.00 179.29 1yaj h LEU 264 N 1.02 1.06 -0.05 2.35 6.46 -1.24 -0.52 115.31 124.39 1yaj h LEU 264 Ca 0.47 -0.24 -0.00 0.00 -0.12 0.00 0.00 57.88 57.98 1yaj h LEU 264 Cb 0.39 -0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 40.04 1yaj h LEU 264 CO -0.24 1.03 0.02 0.00 -0.62 0.00 0.00 178.44 178.63 1yaj h ALA 265 N 1.07 0.06 -0.92 1.25 0.00 -0.77 -2.12 119.26 117.83 1yaj h ALA 265 Ca 0.21 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.11 1yaj h ALA 265 Cb 0.40 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 1yaj h ALA 265 CO 0.01 -0.37 0.59 0.93 0.00 0.00 0.00 179.25 180.40 1yaj h GLU 266 N -0.06 1.04 -0.56 0.00 5.08 -0.83 0.17 114.58 119.42 1yaj h GLU 266 Ca 0.02 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1yaj h GLU 266 Cb 0.13 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 1yaj h GLU 266 CO -0.00 0.69 0.33 0.37 -1.00 0.00 0.00 179.01 179.40 1yaj h GLN 267 N 1.08 0.64 -0.19 2.33 4.15 -0.74 0.65 115.11 123.02 1yaj h GLN 267 Ca 0.39 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.74 1yaj h GLN 267 Cb 0.14 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 1yaj h GLN 267 CO -0.16 0.42 -0.03 0.82 -1.93 0.00 0.00 178.83 177.95 1yaj h ILE 268 N 0.66 1.27 -0.76 2.39 2.04 -0.65 -2.58 117.51 119.88 1yaj h ILE 268 Ca 0.23 -0.96 0.11 0.00 1.00 0.00 0.00 64.86 65.24 1yaj h ILE 268 Cb 0.04 1.52 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 1yaj h ILE 268 CO -0.11 0.29 0.50 0.00 0.00 0.00 0.00 178.15 178.83 1yaj h ALA 269 N 0.75 1.85 -0.03 1.87 0.00 -0.13 -1.64 119.26 121.93 1yaj h ALA 269 Ca 0.05 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1yaj h ALA 269 Cb 0.45 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.11 1yaj h ALA 269 CO 0.02 -0.02 -0.36 0.82 0.00 0.00 0.00 179.25 179.71 1yaj h ILE 270 N 0.63 1.46 -0.53 0.00 2.04 -0.79 -0.11 117.51 120.22 1yaj h ILE 270 Ca 0.36 -1.87 0.12 0.00 1.00 0.00 0.00 64.86 64.47 1yaj h ILE 270 Cb 0.53 2.52 -0.03 0.00 -0.74 0.00 0.00 36.82 39.11 1yaj h ILE 270 CO -0.13 0.53 0.37 0.74 0.00 0.00 0.00 178.15 179.65 1yaj h THR 271 N -0.25 0.82 0.00 -0.27 2.02 -0.97 -0.99 112.91 113.26 1yaj h THR 271 Ca -0.04 -0.06 -0.15 0.00 0.77 0.00 0.00 66.41 66.93 1yaj h THR 271 Cb 1.05 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 1yaj h THR 271 CO 0.07 0.03 -0.83 0.00 0.37 0.00 0.00 175.52 175.16 1yaj h ALA 272 N 1.74 0.60 0.00 6.16 0.00 -1.35 -3.48 119.26 122.93 1yaj h ALA 272 Ca 0.25 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1yaj h ALA 272 Cb 0.74 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1yaj h ALA 272 CO -0.04 0.86 0.00 0.41 0.00 0.00 0.00 179.25 180.48 1yaj n GLY 273 N 1.30 0.63 3.07 0.00 0.00 -0.38 -5.08 105.19 104.74 1yaj n GLY 273 Ca -0.01 -0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 1yaj n GLY 273 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj n LYS 275 N 2.82 -3.37 -0.06 0.00 5.02 -1.26 -4.15 118.16 117.16 1yaj n LYS 275 Ca -0.14 -0.79 0.00 0.00 -2.02 0.00 0.00 58.31 55.35 1yaj n LYS 275 Cb 0.56 -0.99 0.00 0.00 -0.02 0.00 0.00 35.03 34.58 1yaj n LYS 275 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1yaj n THR 276 N -4.42 0.00 -0.33 -0.18 -2.24 -1.26 -4.61 114.28 101.24 1yaj n THR 276 Ca 0.07 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 62.00 1yaj n THR 276 Cb 0.32 0.82 0.30 0.00 -2.10 0.00 0.00 70.33 69.66 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 3.43 0.05 -2.53 4.28 2.02 -1.98 -3.41 112.91 114.77 1yaj h THR 277 Ca 0.00 -0.01 -0.09 0.00 0.77 0.00 0.00 66.41 67.08 1yaj h THR 277 Cb 1.04 0.02 -0.21 0.00 -1.74 0.00 0.00 68.15 67.27 1yaj h THR 277 CO 0.00 0.00 -0.07 0.42 0.37 0.00 0.00 175.52 176.24 1yaj s THR 278 N -5.98 0.02 0.26 3.16 -4.23 -1.26 -5.04 115.64 102.57 1yaj s THR 278 Ca -0.13 -0.18 -0.05 0.00 -1.18 0.00 0.00 61.69 60.16 1yaj s THR 278 Cb 0.29 -0.77 0.30 0.00 1.34 0.00 0.00 72.50 73.65 1yaj s THR 278 CO 0.78 -0.10 1.63 0.28 -0.54 0.00 0.00 174.62 176.67 1yaj h SER 279 N 4.03 -0.31 -0.46 3.99 0.02 -1.97 0.23 113.55 119.08 1yaj h SER 279 Ca -0.28 0.20 0.09 0.00 -0.84 0.00 0.00 61.79 60.96 1yaj h SER 279 Cb 1.16 0.35 -0.10 0.00 0.14 0.00 0.00 62.40 63.95 1yaj h SER 279 CO 0.33 -0.19 -0.28 0.00 -1.14 0.00 0.00 176.83 175.55 1yaj h ALA 280 N 1.74 -0.02 -0.76 3.77 0.00 -1.96 -0.33 119.26 121.70 1yaj h ALA 280 Ca 0.45 0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.56 1yaj h ALA 280 Cb 0.82 0.64 -0.06 0.00 0.00 0.00 0.00 17.79 19.18 1yaj h ALA 280 CO -0.69 -0.64 0.44 0.28 0.00 0.00 0.00 179.25 178.65 1yaj h VAL 281 N -0.18 0.98 0.07 0.00 2.07 -0.97 -1.57 116.25 116.66 1yaj h VAL 281 Ca 0.21 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1yaj h VAL 281 Cb 0.51 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1yaj h VAL 281 CO -0.56 0.15 -0.07 0.24 0.02 0.00 0.00 177.57 177.35 1yaj h MET 282 N 0.80 -0.13 -1.10 1.57 0.00 -0.47 -1.22 114.93 114.38 1yaj h MET 282 Ca 0.34 0.01 0.31 0.00 0.00 0.00 0.00 59.70 60.36 1yaj h MET 282 Cb 0.21 0.03 -0.11 0.00 0.00 0.00 0.00 31.60 31.73 1yaj h MET 282 CO -0.19 -0.09 0.70 0.28 0.00 0.00 0.00 176.91 177.61 1yaj h VAL 283 N -0.14 0.41 0.37 -2.22 2.07 -1.19 0.32 116.25 115.88 1yaj h VAL 283 Ca -0.01 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1yaj h VAL 283 Cb 0.12 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 1yaj h VAL 283 CO -0.00 0.06 -0.25 -0.74 0.02 0.00 0.00 177.57 176.66 1yaj h HIS 284 N 0.33 -0.65 -0.37 1.57 -0.00 -0.89 -2.03 115.15 113.11 1yaj h HIS 284 Ca 0.66 -0.00 0.01 0.00 -0.00 0.00 0.00 60.37 61.04 1yaj h HIS 284 Cb 1.75 0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 29.37 1yaj h HIS 284 CO -0.00 -0.38 0.22 0.00 -0.00 0.00 0.00 177.93 177.77 1yaj h LEU 286 N 0.45 0.87 -1.45 0.00 3.38 -0.96 0.36 115.31 117.97 1yaj h LEU 286 Ca 0.14 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.26 1yaj h LEU 286 Cb -0.01 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1yaj h LEU 286 CO -0.06 0.41 0.46 0.03 0.09 0.00 0.00 178.44 179.37 1yaj h ARG 287 N 0.91 0.63 0.00 1.13 3.08 -0.58 -0.01 114.38 119.54 1yaj h ARG 287 Ca 0.53 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.53 1yaj h ARG 287 Cb 0.63 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 1yaj h ARG 287 CO -0.31 0.42 -0.04 1.96 -1.07 0.00 0.00 179.97 180.93 1yaj h GLN 288 N 0.65 0.00 -6.75 0.04 1.08 -0.12 -3.44 115.11 106.57 1yaj h GLN 288 Ca 0.31 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.99 1yaj h GLN 288 Cb 0.36 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 27.82 1yaj h GLN 288 CO -0.10 0.04 0.55 0.15 -0.95 0.00 0.00 178.83 178.52 1yaj s LYS 289 N -3.65 4.51 0.76 1.46 -0.14 -0.02 -5.03 119.74 117.65 1yaj s LYS 289 Ca 0.01 1.92 -0.12 0.00 -1.36 0.00 0.00 55.97 56.43 1yaj s LYS 289 Cb 0.09 -3.19 0.05 0.00 -1.68 0.00 0.00 37.83 33.10 1yaj s LYS 289 CO 0.57 -0.01 1.12 0.95 -0.76 0.00 0.00 175.35 177.22 1yaj s THR 290 N -0.59 2.92 0.14 2.17 -4.23 -1.26 -4.81 115.64 109.97 1yaj s THR 290 Ca 0.50 0.30 -0.17 0.00 -1.18 0.00 0.00 61.69 61.13 1yaj s THR 290 Cb -0.34 -3.23 -0.00 0.00 1.34 0.00 0.00 72.50 70.27 1yaj s THR 290 CO 0.41 -0.39 1.75 -0.08 -0.54 0.00 0.00 174.62 175.77 1yaj h GLU 291 N -0.90 0.23 -0.18 3.99 4.81 -1.97 0.20 114.58 120.76 1yaj h GLU 291 Ca -0.46 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 58.77 1yaj h GLU 291 Cb 1.28 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 1yaj h GLU 291 CO 0.63 0.15 0.12 0.93 -0.73 0.00 0.00 179.01 180.12 1yaj h GLU 292 N 0.24 0.18 0.03 1.92 3.07 -1.97 0.58 114.58 118.62 1yaj h GLU 292 Ca 0.14 -0.01 -0.24 0.00 -0.50 0.00 0.00 59.36 58.75 1yaj h GLU 292 Cb 0.11 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 27.95 1yaj h GLU 292 CO -0.14 0.12 -1.16 0.93 -1.40 0.00 0.00 179.01 177.36 1yaj h GLU 293 N 0.19 0.05 0.00 2.33 5.08 -1.67 -2.24 114.58 118.32 1yaj h GLU 293 Ca 0.07 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 1yaj h GLU 293 Cb 0.06 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1yaj h GLU 293 CO -0.01 0.97 -0.40 -0.07 -1.00 0.00 0.00 179.01 178.50 1yaj h LEU 294 N 0.01 0.00 0.00 1.33 3.38 0.63 -2.75 115.31 117.92 1yaj h LEU 294 Ca -0.08 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.74 1yaj h LEU 294 Cb 1.85 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.57 1yaj h LEU 294 CO 0.14 0.22 -0.87 0.25 0.09 0.00 0.00 178.44 178.26 1yaj h LEU 295 N 0.00 0.00 -0.03 1.67 5.85 0.09 -2.60 115.31 120.29 1yaj h LEU 295 Ca -0.01 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1yaj h LEU 295 Cb 1.18 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 1yaj h LEU 295 CO 0.03 0.62 -0.19 -0.33 -0.34 0.00 0.00 178.44 178.23 1yaj h GLU 296 N 0.00 0.00 0.10 1.25 5.08 -1.39 -3.18 114.58 116.43 1yaj h GLU 296 Ca -0.06 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.04 1yaj h GLU 296 Cb 1.52 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.77 1yaj h GLU 296 CO 0.07 0.19 -1.20 1.15 -1.00 0.00 0.00 179.01 178.22 1yaj h THR 297 N 0.00 1.54 0.00 1.13 2.02 -1.42 -2.47 112.91 113.72 1yaj h THR 297 Ca -0.00 -3.14 0.00 0.00 0.77 0.00 0.00 66.41 64.04 1yaj h THR 297 Cb 1.13 2.92 0.00 0.00 -1.74 0.00 0.00 68.15 70.46 1yaj h THR 297 CO 0.02 0.91 0.00 0.41 0.37 0.00 0.00 175.52 177.24 1yaj n THR 298 N -3.49 0.79 -0.11 3.16 -1.04 -0.99 -2.32 114.28 110.28 1yaj n THR 298 Ca -0.07 0.16 -0.25 0.00 -2.04 0.00 0.00 64.05 61.86 1yaj n THR 298 Cb 1.01 -0.97 -0.11 0.00 -1.82 0.00 0.00 70.33 68.43 1yaj n THR 298 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1yaj n LEU 299 N -1.86 2.07 0.03 -4.42 4.77 -1.19 -4.14 117.00 112.26 1yaj n LEU 299 Ca 0.04 0.32 0.19 0.00 -0.03 0.00 0.00 56.01 56.53 1yaj n LEU 299 Cb 0.24 -0.92 0.69 0.00 -2.33 0.00 0.00 43.42 41.09 1yaj n LEU 299 CO 0.19 0.51 1.17 0.11 -1.33 0.00 0.00 177.39 178.04 1yaj h LYS 300 N -0.81 0.00 0.00 3.23 1.57 -1.34 0.78 116.57 120.00 1yaj h LYS 300 Ca -0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1yaj h LYS 300 Cb 1.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.86 1yaj h LYS 300 CO -0.25 0.00 0.00 -1.33 -0.57 0.00 0.00 179.45 177.30 1yaj n MET 301 N -4.37 0.32 -3.70 3.15 2.81 -0.98 -4.93 117.12 109.42 1yaj n MET 301 Ca 0.08 0.06 -0.24 0.00 -1.81 0.00 0.00 57.70 55.79 1yaj n MET 301 Cb 0.55 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.56 1yaj n MET 301 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1yaj n LYS 302 N -1.30 -0.70 0.00 0.03 4.76 0.27 -4.87 118.16 116.35 1yaj n LYS 302 Ca 0.11 0.08 0.12 0.00 -2.87 0.00 0.00 58.31 55.75 1yaj n LYS 302 Cb 0.20 -1.22 0.69 0.00 -1.84 0.00 0.00 35.03 32.86 1yaj n LYS 302 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1yaj n PHE 303 N -2.83 0.00 -0.03 2.13 0.99 -1.26 -4.39 117.46 112.06 1yaj n PHE 303 Ca -0.12 0.00 -0.07 0.00 -0.00 0.00 0.00 57.45 57.25 1yaj n PHE 303 Cb 0.38 0.00 -0.02 0.00 -1.00 0.00 0.00 39.48 38.83 1yaj n PHE 303 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 1yaj n LEU 304 N -0.97 0.71 -4.63 4.37 7.94 -1.26 -4.15 117.00 119.00 1yaj n LEU 304 Ca 0.17 0.11 -0.37 0.00 -1.11 0.00 0.00 56.01 54.82 1yaj n LEU 304 Cb 0.08 -0.27 0.06 0.00 0.53 0.00 0.00 43.42 43.82 1yaj n LEU 304 CO 0.13 0.01 0.59 -1.20 -1.11 0.00 0.00 177.39 175.82 1yaj n SER 305 N -3.43 0.88 -4.79 1.96 7.64 -1.26 -4.88 113.62 109.75 1yaj n SER 305 Ca -0.13 0.77 -0.34 0.00 1.01 0.00 0.00 58.87 60.18 1yaj n SER 305 Cb 0.52 -1.42 -0.00 0.00 -1.01 0.00 0.00 64.21 62.30 1yaj n SER 305 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1yaj s LEU 306 N -2.64 3.69 -0.25 -3.43 2.96 -1.19 -5.00 118.68 112.81 1yaj s LEU 306 Ca 0.77 1.99 -0.09 0.00 -0.22 0.00 0.00 54.13 56.58 1yaj s LEU 306 Cb -0.39 -4.56 -0.04 0.00 0.50 0.00 0.00 46.19 41.70 1yaj s LEU 306 CO 0.46 -1.10 0.12 -0.62 -1.32 0.00 0.00 176.35 173.89 1yaj s ASP 307 N -2.16 5.57 0.00 3.68 3.68 -1.26 -5.07 116.67 121.11 1yaj s ASP 307 Ca 0.68 -0.09 0.00 0.00 2.13 0.00 0.00 52.55 55.28 1yaj s ASP 307 Cb -0.19 -2.01 0.00 0.00 -1.45 0.00 0.00 42.92 39.27 1yaj s ASP 307 CO 0.28 -0.01 0.00 0.18 0.13 0.00 0.00 175.17 175.75 1yaj n LEU 308 N 4.80 0.00 -4.76 -1.34 4.77 -1.26 -4.85 117.00 114.36 1yaj n LEU 308 Ca -0.15 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.42 1yaj n LEU 308 Cb 0.52 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 1yaj n LEU 308 CO 0.32 0.00 1.01 0.00 -1.33 0.00 0.00 177.39 177.40 1yaj s GLN 309 N 0.00 4.33 0.00 3.23 0.00 -1.26 -4.90 119.66 121.06 1yaj s GLN 309 Ca 0.00 2.24 0.00 0.00 -0.00 0.00 0.00 55.36 57.60 1yaj s GLN 309 Cb 0.00 -3.08 0.00 0.00 0.00 0.00 0.00 33.01 29.93 1yaj s GLN 309 CO 0.00 -0.26 0.00 0.41 0.00 0.00 0.00 175.29 175.44 1yaj n GLY 310 N 1.20 4.39 3.41 2.60 0.00 -1.26 -5.02 105.19 110.51 1yaj n GLY 310 Ca 0.02 -1.05 -0.51 0.00 0.00 0.00 0.00 46.02 44.48 1yaj n GLY 310 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1yaj n ASP 311 N 0.00 1.57 -0.06 1.61 -0.08 -1.26 -4.76 116.55 113.57 1yaj n ASP 311 Ca 0.00 0.37 0.25 0.00 -1.51 0.00 0.00 54.79 53.90 1yaj n ASP 311 Cb 0.00 -1.16 0.71 0.00 2.34 0.00 0.00 41.12 43.02 1yaj n ASP 311 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1yaj h PRO 312 N 12.09 0.00 0.00 -0.67 0.11 -1.90 -1.93 132.00 139.70 1yaj h PRO 312 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1yaj h PRO 312 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1yaj h PRO 312 CO 1.10 0.00 0.00 -2.13 -0.21 0.00 0.00 178.00 176.76 1yaj n ARG 313 N -3.92 0.31 -0.02 1.05 0.63 -1.26 -2.81 116.66 110.64 1yaj n ARG 313 Ca 0.14 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 57.05 1yaj n ARG 313 Cb 0.85 -1.50 -0.02 0.00 0.45 0.00 0.00 32.46 32.24 1yaj n ARG 313 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1yaj n GLU 314 N -1.00 2.08 -1.58 -0.14 1.02 -0.73 -5.00 120.64 115.30 1yaj n GLU 314 Ca 0.07 0.01 -0.49 0.00 -0.02 0.00 0.00 57.16 56.73 1yaj n GLU 314 Cb 0.03 -1.08 -0.06 0.00 -0.02 0.00 0.00 31.44 30.32 1yaj n GLU 314 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1yaj n SER 315 N -2.32 2.81 -4.58 1.62 7.64 -1.12 -4.91 113.62 112.76 1yaj n SER 315 Ca -0.06 0.62 -0.41 0.00 1.01 0.00 0.00 58.87 60.04 1yaj n SER 315 Cb 0.59 -1.34 -0.08 0.00 -1.01 0.00 0.00 64.21 62.37 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 5.29 3.75 0.13 1.43 2.00 -1.26 -4.69 119.66 126.31 1yaj s GLN 316 Ca 1.01 0.01 -0.14 0.00 -2.00 0.00 0.00 55.36 54.24 1yaj s GLN 316 Cb -0.73 -3.77 -0.01 0.00 0.80 0.00 0.00 33.01 29.31 1yaj s GLN 316 CO 0.49 -0.58 1.59 -1.00 -0.50 0.00 0.00 175.29 175.28 1yaj h PRO 317 N 8.34 0.76 -1.23 1.67 0.13 -1.84 -3.46 132.00 136.38 1yaj h PRO 317 Ca -0.28 -0.24 0.18 0.00 -0.87 0.00 0.00 66.00 64.79 1yaj h PRO 317 Cb 1.13 -0.07 -0.27 0.00 0.13 0.00 0.00 31.00 31.91 1yaj h PRO 317 CO 0.77 0.82 0.80 -0.48 -0.23 0.00 0.00 178.00 179.68 1yaj s LEU 318 N -9.43 -0.16 0.51 1.56 0.05 -1.26 -4.05 118.68 105.90 1yaj s LEU 318 Ca -0.13 0.20 -0.23 0.00 0.05 0.00 0.00 54.13 54.02 1yaj s LEU 318 Cb 0.11 1.35 -0.06 0.00 -2.05 0.00 0.00 46.19 45.54 1yaj s LEU 318 CO 0.80 -0.12 1.38 -0.76 -0.55 0.00 0.00 176.35 177.10 1yaj s LEU 319 N -0.80 3.95 0.00 1.48 1.43 -1.26 -4.94 118.68 118.55 1yaj s LEU 319 Ca 0.05 2.82 -0.01 0.00 -1.03 0.00 0.00 54.13 55.96 1yaj s LEU 319 Cb -0.02 -4.14 0.01 0.00 0.03 0.00 0.00 46.19 42.06 1yaj s LEU 319 CO -0.06 -1.41 0.15 0.61 0.23 0.00 0.00 176.35 175.87 1yaj n GLY 320 N 0.67 2.63 3.63 -3.19 0.00 -1.26 -4.85 105.19 102.82 1yaj n GLY 320 Ca 0.08 -1.38 -0.43 0.00 0.00 0.00 0.00 46.02 44.30 1yaj n GLY 320 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1yaj n THR 321 N -0.16 2.12 -4.50 2.61 -1.04 -0.82 -4.72 114.28 107.77 1yaj n THR 321 Ca -0.00 -0.50 -0.26 0.00 -2.04 0.00 0.00 64.05 61.25 1yaj n THR 321 Cb 0.17 -1.24 -0.08 0.00 -1.82 0.00 0.00 70.33 67.36 1yaj n THR 321 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1yaj s VAL 322 N -1.13 0.44 -0.42 12.58 -7.23 -1.26 -2.22 120.40 121.16 1yaj s VAL 322 Ca 0.59 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.63 1yaj s VAL 322 Cb -0.62 -2.31 0.06 0.00 0.56 0.00 0.00 36.38 34.07 1yaj s VAL 322 CO 0.60 0.00 0.29 -0.63 -0.31 0.00 0.00 175.10 175.05 1yaj s ILE 323 N -3.20 4.76 -0.16 -0.62 -1.09 -1.26 -4.80 121.20 114.82 1yaj s ILE 323 Ca 0.24 -1.07 0.17 0.00 -2.23 0.00 0.00 60.65 57.76 1yaj s ILE 323 Cb 0.01 -3.79 0.41 0.00 -1.58 0.00 0.00 42.46 37.51 1yaj s ILE 323 CO 0.17 -0.44 1.28 -0.90 -1.23 0.00 0.00 174.94 173.82 1yaj n ASP 324 N 5.06 3.00 -1.87 3.58 3.85 -1.24 -4.96 116.55 123.96 1yaj n ASP 324 Ca -0.11 -3.12 -0.09 0.00 -0.71 0.00 0.00 54.79 50.76 1yaj n ASP 324 Cb 0.44 -0.49 -0.02 0.00 -1.35 0.00 0.00 41.12 39.70 1yaj n ASP 324 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1yaj n GLY 325 N -1.02 0.15 1.00 6.12 0.00 -0.90 -4.64 105.19 105.90 1yaj n GLY 325 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.16 0.00 0.00 1.61 2.00 -1.26 -4.82 117.12 112.49 1yaj n MET 326 Ca -0.10 0.00 0.14 0.00 0.00 0.00 0.00 57.70 57.74 1yaj n MET 326 Cb 0.44 0.00 0.52 0.00 0.00 0.00 0.00 33.22 34.18 1yaj n MET 326 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 1yaj n LEU 327 N -2.08 0.46 -3.15 4.03 0.00 -1.26 -4.65 117.00 110.35 1yaj n LEU 327 Ca 0.00 0.05 0.04 0.00 0.00 0.00 0.00 56.01 56.10 1yaj n LEU 327 Cb 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 43.42 43.17 1yaj n LEU 327 CO 0.00 0.09 0.15 -0.76 0.00 0.00 0.00 177.39 176.88 1yaj s LEU 328 N -2.66 -1.43 0.39 -1.96 1.43 -1.26 -4.28 118.68 108.91 1yaj s LEU 328 Ca 0.23 0.71 0.10 0.00 -1.03 0.00 0.00 54.13 54.13 1yaj s LEU 328 Cb 0.19 2.13 0.87 0.00 0.03 0.00 0.00 46.19 49.41 1yaj s LEU 328 CO 0.53 -0.27 1.95 -0.07 0.23 0.00 0.00 176.35 178.72 1yaj h LEU 329 N 8.00 0.54 0.00 1.79 4.07 -1.88 -2.40 115.31 125.44 1yaj h LEU 329 Ca -0.18 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.80 1yaj h LEU 329 Cb 1.17 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.81 1yaj h LEU 329 CO 0.23 0.33 0.00 2.29 -1.08 0.00 0.00 178.44 180.21 1yaj n LYS 330 N -4.49 0.00 -1.88 1.13 2.85 -1.26 -4.49 118.16 110.02 1yaj n LYS 330 Ca 0.12 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 57.03 1yaj n LYS 330 Cb 0.34 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.76 1yaj n LYS 330 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1yaj s THR 331 N -2.03 2.83 0.32 0.58 -4.23 -1.26 -4.87 115.64 106.98 1yaj s THR 331 Ca 0.00 0.46 0.02 0.00 -1.18 0.00 0.00 61.69 60.99 1yaj s THR 331 Cb 0.00 -3.08 0.28 0.00 1.34 0.00 0.00 72.50 71.04 1yaj s THR 331 CO 0.00 -0.17 1.94 -0.65 -0.54 0.00 0.00 174.62 175.20 1yaj h PRO 332 N 0.50 0.92 0.14 3.99 0.11 -1.99 -2.28 132.00 133.39 1yaj h PRO 332 Ca -0.49 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 1yaj h PRO 332 Cb 1.28 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1yaj h PRO 332 CO 0.54 0.61 -0.07 0.93 -0.21 0.00 0.00 178.00 179.81 1yaj h GLU 333 N 0.95 -0.18 -0.82 1.05 3.07 -1.91 -3.19 114.58 113.55 1yaj h GLU 333 Ca 0.35 0.01 0.34 0.00 -0.50 0.00 0.00 59.36 59.56 1yaj h GLU 333 Cb 0.16 0.04 -0.15 0.00 -0.84 0.00 0.00 28.75 27.96 1yaj h GLU 333 CO -0.12 -0.12 0.41 0.39 -1.40 0.00 0.00 179.01 178.17 1yaj n GLU 334 N -2.60 -0.05 0.41 2.33 1.02 -1.13 -1.71 120.64 118.91 1yaj n GLU 334 Ca -0.02 1.14 -0.18 0.00 -0.02 0.00 0.00 57.16 58.09 1yaj n GLU 334 Cb 0.07 -2.03 -0.09 0.00 -0.02 0.00 0.00 31.44 29.37 1yaj n GLU 334 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1yaj h LEU 335 N 0.00 -0.88 0.00 -4.62 3.38 -1.42 -3.03 115.31 108.74 1yaj h LEU 335 Ca 0.68 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.67 1yaj h LEU 335 Cb 1.78 0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.76 1yaj h LEU 335 CO -0.65 -0.56 0.00 0.00 0.09 0.00 0.00 178.44 177.32 1yaj n GLN 336 N -5.50 0.01 -0.18 1.13 10.64 -0.69 -1.92 117.38 120.87 1yaj n GLN 336 Ca -0.14 0.38 -0.08 0.00 -1.83 0.00 0.00 57.00 55.34 1yaj n GLN 336 Cb 0.42 -1.50 0.07 0.00 -0.86 0.00 0.00 30.24 28.37 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 2.05 0.92 -2.56 2.61 0.00 -1.47 -3.44 119.26 117.38 1yaj h ALA 337 Ca 0.00 -0.30 -0.55 0.00 0.00 0.00 0.00 54.91 54.06 1yaj h ALA 337 Cb 0.02 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1yaj h ALA 337 CO 0.00 0.64 -0.07 -2.00 0.00 0.00 0.00 179.25 177.82 1yaj s GLU 338 N -4.99 3.95 -0.31 0.00 -6.30 -0.81 -5.02 118.70 105.23 1yaj s GLU 338 Ca -0.11 0.47 0.08 0.00 -2.50 0.00 0.00 54.97 52.91 1yaj s GLU 338 Cb 0.14 -2.83 0.53 0.00 0.00 0.00 0.00 34.13 31.97 1yaj s GLU 338 CO 0.84 0.42 1.53 0.54 0.02 0.00 0.00 175.26 178.61 1yaj n ARG 339 N 0.50 1.95 -0.95 4.30 3.00 -1.26 -4.62 116.66 119.58 1yaj n ARG 339 Ca -0.03 -3.16 -0.07 0.00 -0.01 0.00 0.00 57.85 54.58 1yaj n ARG 339 Cb 0.52 -1.87 0.26 0.00 0.00 0.00 0.00 32.46 31.37 1yaj n ARG 339 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1yaj n ASN 340 N -1.10 4.13 -4.82 0.55 4.13 -1.26 -4.97 115.26 111.91 1yaj n ASN 340 Ca 0.37 -3.36 -0.26 0.00 1.68 0.00 0.00 54.58 53.01 1yaj n ASN 340 Cb 1.13 -0.72 -0.04 0.00 -1.54 0.00 0.00 39.78 38.61 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 -3.07 2.15 0.08 3.10 5.36 -1.26 -5.10 117.98 119.24 1yaj s PHE 341 Ca 0.52 -0.72 -0.31 0.00 -0.96 0.00 0.00 56.93 55.47 1yaj s PHE 341 Cb 0.43 -1.93 -0.07 0.00 -0.34 0.00 0.00 43.02 41.11 1yaj s PHE 341 CO 0.10 -0.11 1.27 -1.58 -1.46 0.00 0.00 175.22 173.45 1yaj s HIS 342 N -2.68 3.36 0.14 10.12 2.46 -1.26 -5.04 115.29 122.38 1yaj s HIS 342 Ca 0.35 1.16 0.05 0.00 0.47 0.00 0.00 55.06 57.10 1yaj s HIS 342 Cb 0.00 -3.52 -0.04 0.00 -0.13 0.00 0.00 32.58 28.89 1yaj s HIS 342 CO 0.20 -1.72 0.06 0.95 -2.47 0.00 0.00 174.74 171.77 1yaj s THR 343 N 1.06 4.20 0.03 0.89 -4.23 -1.26 -5.03 115.64 111.30 1yaj s THR 343 Ca 0.61 -1.10 -0.21 0.00 -1.18 0.00 0.00 61.69 59.81 1yaj s THR 343 Cb -0.32 -3.09 0.04 0.00 1.34 0.00 0.00 72.50 70.47 1yaj s THR 343 CO 0.30 -0.02 0.47 0.68 -0.54 0.00 0.00 174.62 175.50 1yaj s VAL 344 N -1.60 0.04 0.03 2.29 -7.23 -1.26 -5.04 120.40 107.62 1yaj s VAL 344 Ca 0.29 -0.33 -0.34 0.00 -1.81 0.00 0.00 61.98 59.79 1yaj s VAL 344 Cb -0.11 -0.92 -0.12 0.00 0.56 0.00 0.00 36.38 35.79 1yaj s VAL 344 CO 0.21 -0.18 1.76 -2.65 -0.31 0.00 0.00 175.10 173.92 1yaj n PRO 345 N 0.61 2.21 -4.06 4.82 -0.02 -1.25 -4.51 135.00 132.79 1yaj n PRO 345 Ca -0.19 0.81 -0.32 0.00 -2.02 0.00 0.00 63.50 61.78 1yaj n PRO 345 Cb 0.59 -2.63 -0.15 0.00 -0.02 0.00 0.00 33.50 31.30 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 2.74 3.24 -0.33 6.00 6.04 -0.75 -1.92 117.35 132.37 1yaj s TYR 346 Ca 0.86 -2.26 -0.18 0.00 0.04 0.00 0.00 57.07 55.53 1yaj s TYR 346 Cb -0.67 -1.94 -0.01 0.00 -1.04 0.00 0.00 41.96 38.30 1yaj s TYR 346 CO 0.45 -0.87 0.54 1.41 -1.54 0.00 0.00 175.55 175.54 1yaj s MET 347 N 1.12 3.72 -0.12 4.97 -2.45 -0.77 -1.98 119.30 123.79 1yaj s MET 347 Ca -0.08 -0.02 0.03 0.00 -1.25 0.00 0.00 55.69 54.37 1yaj s MET 347 Cb -0.20 -3.78 0.01 0.00 1.25 0.00 0.00 34.83 32.11 1yaj s MET 347 CO -0.05 -0.60 -0.23 0.08 1.05 0.00 0.00 175.02 175.27 1yaj s VAL 348 N 2.44 2.04 0.07 10.11 1.01 0.10 -0.73 120.40 135.44 1yaj s VAL 348 Ca 0.20 -0.99 -0.05 0.00 0.00 0.00 0.00 61.98 61.15 1yaj s VAL 348 Cb -0.15 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 1yaj s VAL 348 CO 0.13 0.55 0.08 -0.83 0.00 0.00 0.00 175.10 175.03 1yaj s GLY 349 N 0.59 0.30 0.09 4.51 0.00 -1.12 -2.80 107.32 108.88 1yaj s GLY 349 Ca -0.13 -0.93 0.02 0.00 0.00 0.00 0.00 44.72 43.68 1yaj s GLY 349 CO 0.03 -1.07 -0.07 -0.26 0.00 0.00 0.00 173.10 171.73 1yaj s ILE 350 N -3.90 0.66 0.62 0.90 -4.36 -0.25 -1.35 121.20 113.52 1yaj s ILE 350 Ca 0.06 -1.75 -0.01 0.00 -0.26 0.00 0.00 60.65 58.69 1yaj s ILE 350 Cb 0.06 -1.46 0.06 0.00 1.25 0.00 0.00 42.46 42.38 1yaj s ILE 350 CO -0.10 -0.77 0.87 0.20 0.24 0.00 0.00 174.94 175.38 1yaj s ASN 351 N -2.73 4.97 0.02 4.36 0.02 -1.26 -1.10 114.94 119.20 1yaj s ASN 351 Ca 0.07 -0.01 -0.26 0.00 -1.02 0.00 0.00 52.86 51.64 1yaj s ASN 351 Cb 0.02 -0.71 -0.16 0.00 0.02 0.00 0.00 41.25 40.42 1yaj s ASN 351 CO -0.04 -1.40 1.22 0.50 0.02 0.00 0.00 177.10 177.41 1yaj h LYS 352 N -0.19 -0.60 -2.69 -0.60 1.63 -0.25 -3.38 116.57 110.50 1yaj h LYS 352 Ca -0.41 0.04 -0.62 0.00 -0.85 0.00 0.00 60.65 58.81 1yaj h LYS 352 Cb 1.29 0.14 -0.41 0.00 -0.60 0.00 0.00 32.23 32.65 1yaj h LYS 352 CO 0.51 -0.29 -0.52 1.04 -3.45 0.00 0.00 179.45 176.74 1yaj n GLN 353 N -5.25 2.27 0.07 1.90 6.02 0.78 -4.94 117.38 118.23 1yaj n GLN 353 Ca -0.10 -4.58 -0.13 0.00 -0.01 0.00 0.00 57.00 52.18 1yaj n GLN 353 Cb 0.30 -2.29 -0.06 0.00 1.02 0.00 0.00 30.24 29.21 1yaj n GLN 353 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1yaj h GLU 354 N 4.87 -0.51 -1.34 -1.09 4.39 -1.74 -2.35 114.58 116.80 1yaj h GLU 354 Ca 0.17 0.03 -0.45 0.00 0.34 0.00 0.00 59.36 59.46 1yaj h GLU 354 Cb 0.71 0.12 -0.19 0.00 -0.10 0.00 0.00 28.75 29.28 1yaj h GLU 354 CO 0.80 -0.34 0.59 0.34 -1.16 0.00 0.00 179.01 179.23 1yaj n PHE 355 N -5.43 2.15 0.09 4.33 -0.00 -1.26 -2.77 117.46 114.57 1yaj n PHE 355 Ca -0.06 -2.35 -0.22 0.00 -0.00 0.00 0.00 57.45 54.82 1yaj n PHE 355 Cb 0.35 -1.14 -0.15 0.00 -0.00 0.00 0.00 39.48 38.54 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 2.35 0.46 0.00 7.13 0.00 -1.72 -3.45 103.07 107.85 1yaj h GLY 356 Ca 0.41 -1.19 0.00 0.00 0.00 0.00 0.00 47.33 46.55 1yaj h GLY 356 CO 1.06 1.04 0.00 1.87 0.00 0.00 0.00 176.54 180.51 1yaj n TRP 357 N -3.91 -3.52 0.00 5.60 -0.00 -1.26 -4.93 117.44 109.42 1yaj n TRP 357 Ca -0.17 0.99 0.00 0.00 -0.00 0.00 0.00 57.50 58.32 1yaj n TRP 357 Cb 0.97 2.22 0.00 0.00 -0.00 0.00 0.00 31.31 34.49 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 -3.42 0.00 -0.23 5.87 7.94 -1.26 -0.09 117.00 125.81 1yaj n LEU 358 Ca 0.00 0.47 -0.06 0.00 -1.11 0.00 0.00 56.01 55.31 1yaj n LEU 358 Cb 0.00 -0.04 -0.01 0.00 0.53 0.00 0.00 43.42 43.90 1yaj n LEU 358 CO 0.00 -0.04 0.60 0.40 -1.11 0.00 0.00 177.39 177.23 1yaj h ILE 359 N 0.00 0.11 -0.23 1.96 2.04 -1.94 0.29 117.51 119.73 1yaj h ILE 359 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 1yaj h ILE 359 Cb 0.00 0.11 -0.07 0.00 -0.74 0.00 0.00 36.82 36.12 1yaj h ILE 359 CO 0.00 0.00 -0.46 -0.65 0.00 0.00 0.00 178.15 177.04 1yaj h PRO 360 N -0.17 -0.44 -0.32 2.37 0.11 -1.73 0.58 132.00 132.40 1yaj h PRO 360 Ca 0.22 0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.41 1yaj h PRO 360 Cb 0.56 0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.73 1yaj h PRO 360 CO -0.73 -0.29 0.07 1.98 -0.21 0.00 0.00 178.00 178.82 1yaj h MET 361 N -0.46 0.18 0.00 1.05 1.85 0.27 -0.68 114.93 117.14 1yaj h MET 361 Ca 0.09 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.16 1yaj h MET 361 Cb 0.62 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.61 1yaj h MET 361 CO -0.47 0.12 0.00 1.28 -0.40 0.00 0.00 176.91 177.43 1yaj n LEU 363 N -5.08 0.24 -0.45 3.39 4.77 0.95 -1.39 117.00 119.42 1yaj n LEU 363 Ca 0.00 0.58 0.04 0.00 -0.03 0.00 0.00 56.01 56.61 1yaj n LEU 363 Cb 0.14 -0.58 0.10 0.00 -2.33 0.00 0.00 43.42 40.74 1yaj n LEU 363 CO 0.26 -0.53 0.55 0.23 -1.33 0.00 0.00 177.39 176.57 1yaj n MET 364 N -1.79 2.35 -3.24 3.23 2.81 0.12 -4.66 117.12 115.93 1yaj n MET 364 Ca 0.01 -1.73 -0.23 0.00 -1.81 0.00 0.00 57.70 53.94 1yaj n MET 364 Cb 0.10 -1.19 0.03 0.00 -0.71 0.00 0.00 33.22 31.44 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 0.30 -5.39 -4.57 7.83 7.64 -0.49 -3.17 113.62 115.77 1yaj n SER 365 Ca 0.08 -0.38 -0.45 0.00 1.01 0.00 0.00 58.87 59.13 1yaj n SER 365 Cb 0.35 -4.36 -0.02 0.00 -1.01 0.00 0.00 64.21 59.17 1yaj n SER 365 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yaj n TYR 366 N -4.42 1.08 -0.35 1.43 9.36 -0.55 -4.87 117.16 118.84 1yaj n TYR 366 Ca -0.06 0.72 0.25 0.00 3.32 0.00 0.00 57.90 62.13 1yaj n TYR 366 Cb 0.59 -2.22 0.51 0.00 -0.63 0.00 0.00 39.34 37.58 1yaj n TYR 366 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 1yaj h PRO 367 N 1.87 0.33 -6.18 2.98 0.11 -1.92 -3.42 132.00 125.78 1yaj h PRO 367 Ca -0.39 -0.02 -0.65 0.00 0.11 0.00 0.00 66.00 65.06 1yaj h PRO 367 Cb 1.35 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 32.39 1yaj h PRO 367 CO 0.60 0.22 1.15 1.28 -0.21 0.00 0.00 178.00 181.04 1yaj n LEU 368 N -4.81 3.00 0.00 2.35 4.77 -1.26 -4.60 117.00 116.45 1yaj n LEU 368 Ca 0.30 0.85 0.00 0.00 -0.03 0.00 0.00 56.01 57.12 1yaj n LEU 368 Cb 1.00 -1.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1yaj n LEU 368 CO 0.18 -0.28 0.00 -1.54 -1.33 0.00 0.00 177.39 174.42 1yaj n SER 369 N 7.30 0.00 -1.01 -1.43 3.41 -1.26 -4.92 113.62 115.71 1yaj n SER 369 Ca 0.27 -0.60 0.03 0.00 -0.26 0.00 0.00 58.87 58.31 1yaj n SER 369 Cb 0.26 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 64.38 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 0.00 2.51 0.00 4.33 1.02 -1.26 -4.87 120.64 122.36 1yaj n GLU 370 Ca 0.00 -1.31 0.00 0.00 -0.02 0.00 0.00 57.16 55.83 1yaj n GLU 370 Cb 0.15 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 29.84 1yaj n GLU 370 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yaj n GLY 371 N 0.39 2.29 1.70 0.62 0.00 -1.26 -4.85 105.19 104.07 1yaj n GLY 371 Ca 0.12 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 46.08 1yaj n GLY 371 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yaj n GLN 372 N 0.00 0.47 -3.94 1.61 10.64 -1.26 -4.93 117.38 119.97 1yaj n GLN 372 Ca 0.00 -0.94 -0.08 0.00 -1.83 0.00 0.00 57.00 54.15 1yaj n GLN 372 Cb 0.00 1.19 -0.08 0.00 -0.86 0.00 0.00 30.24 30.48 1yaj n GLN 372 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1yaj s LEU 373 N 0.00 1.79 0.54 2.61 2.96 -1.19 -4.83 118.68 120.56 1yaj s LEU 373 Ca 0.08 -0.78 0.08 0.00 -0.22 0.00 0.00 54.13 53.29 1yaj s LEU 373 Cb -0.02 0.74 0.06 0.00 0.50 0.00 0.00 46.19 47.47 1yaj s LEU 373 CO 0.05 -0.69 0.61 1.51 -1.32 0.00 0.00 176.35 176.51 1yaj s ASP 374 N -2.88 4.96 0.30 3.68 -4.77 -1.26 -4.25 116.67 112.44 1yaj s ASP 374 Ca 0.06 -0.96 0.14 0.00 -3.30 0.00 0.00 52.55 48.49 1yaj s ASP 374 Cb 0.06 0.22 0.39 0.00 -1.09 0.00 0.00 42.92 42.50 1yaj s ASP 374 CO -0.10 -1.18 1.61 1.56 0.70 0.00 0.00 175.17 177.76 1yaj h GLN 375 N 0.47 0.00 0.00 2.11 1.08 -1.92 -3.03 115.11 113.82 1yaj h GLN 375 Ca -0.34 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.86 1yaj h GLN 375 Cb 1.29 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.72 1yaj h GLN 375 CO 0.48 0.56 -0.05 0.87 -0.95 0.00 0.00 178.83 179.74 1yaj h LYS 376 N 0.00 0.00 0.00 1.46 1.79 -2.01 -3.35 116.57 114.46 1yaj h LYS 376 Ca -0.01 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1yaj h LYS 376 Cb 1.12 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.77 1yaj h LYS 376 CO 0.07 0.54 -0.09 1.15 -1.08 0.00 0.00 179.45 180.04 1yaj h THR 377 N -1.00 0.63 -0.92 -0.16 2.02 -1.99 -1.75 112.91 109.74 1yaj h THR 377 Ca -0.01 -0.38 0.01 0.00 0.77 0.00 0.00 66.41 66.80 1yaj h THR 377 Cb 0.56 1.24 -0.05 0.00 -1.74 0.00 0.00 68.15 68.16 1yaj h THR 377 CO -0.01 0.09 0.61 0.00 0.37 0.00 0.00 175.52 176.58 1yaj h ALA 378 N 1.91 1.35 -0.40 6.16 0.00 -1.67 -2.14 119.26 124.48 1yaj h ALA 378 Ca -0.00 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.93 1yaj h ALA 378 Cb 0.23 -0.37 -0.08 0.00 0.00 0.00 0.00 17.79 17.57 1yaj h ALA 378 CO 0.01 0.60 -0.10 0.52 0.00 0.00 0.00 179.25 180.29 1yaj h MET 379 N 1.24 0.00 0.75 0.00 2.07 -1.44 0.19 114.93 117.75 1yaj h MET 379 Ca 0.34 -0.00 -0.03 0.00 -2.07 0.00 0.00 59.70 57.94 1yaj h MET 379 Cb -0.13 -0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 29.60 1yaj h MET 379 CO -0.08 0.00 -0.46 1.03 1.07 0.00 0.00 176.91 178.47 1yaj h SER 380 N 0.00 -1.16 -0.17 1.22 0.87 -1.49 -1.74 113.55 111.09 1yaj h SER 380 Ca 0.19 0.06 0.05 0.00 -1.23 0.00 0.00 61.79 60.87 1yaj h SER 380 Cb 0.29 0.34 -0.07 0.00 -0.44 0.00 0.00 62.40 62.52 1yaj h SER 380 CO -0.41 -0.71 -0.31 -0.07 -0.53 0.00 0.00 176.83 174.80 1yaj h LEU 381 N -1.14 -0.98 -1.53 2.23 3.38 -1.13 0.77 115.31 116.91 1yaj h LEU 381 Ca -0.10 0.15 0.24 0.00 0.09 0.00 0.00 57.88 58.25 1yaj h LEU 381 Cb 0.91 0.43 -0.07 0.00 0.09 0.00 0.00 40.66 42.01 1yaj h LEU 381 CO 0.10 -0.35 0.64 0.25 0.09 0.00 0.00 178.44 179.17 1yaj h LEU 382 N -0.37 0.36 -0.08 1.67 5.85 -0.62 0.11 115.31 122.24 1yaj h LEU 382 Ca 0.11 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1yaj h LEU 382 Cb 0.54 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 1yaj h LEU 382 CO -0.37 0.12 -0.05 -0.25 -0.34 0.00 0.00 178.44 177.54 1yaj h TRP 383 N 0.35 0.20 0.00 1.25 2.91 0.02 -2.90 115.95 117.77 1yaj h TRP 383 Ca 0.51 -0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.48 1yaj h TRP 383 Cb 1.39 -0.04 0.00 0.00 -0.51 0.00 0.00 29.16 29.99 1yaj h TRP 383 CO -0.00 0.56 0.00 1.63 -1.03 0.00 0.00 178.44 179.60 1yaj n LYS 384 N -4.74 0.67 -0.45 2.65 5.02 0.24 -1.93 118.16 119.61 1yaj n LYS 384 Ca -0.07 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.33 1yaj n LYS 384 Cb 0.28 -1.25 0.33 0.00 -0.02 0.00 0.00 35.03 34.36 1yaj n LYS 384 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1yaj n SER 385 N -0.75 4.21 -0.27 4.39 7.64 -0.44 -4.55 113.62 123.84 1yaj n SER 385 Ca 0.08 -2.17 0.05 0.00 1.01 0.00 0.00 58.87 57.85 1yaj n SER 385 Cb 0.04 -0.51 0.19 0.00 -1.01 0.00 0.00 64.21 62.92 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 4.10 0.66 0.00 1.43 3.20 -1.51 -0.02 116.97 124.83 1yaj h TYR 386 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1yaj h TYR 386 Cb 1.15 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 39.24 1yaj h TYR 386 CO 0.58 0.15 0.00 -0.35 -1.64 0.00 0.00 178.16 176.90 1yaj n PRO 387 N -4.91 0.38 0.00 1.82 -0.04 -1.26 -0.69 135.00 130.30 1yaj n PRO 387 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1yaj n PRO 387 Cb 0.39 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 1yaj n PRO 387 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1yaj n LEU 388 N -0.11 0.58 -0.03 1.53 4.77 -0.10 -4.66 117.00 118.99 1yaj n LEU 388 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 1yaj n LEU 388 Cb 0.05 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.08 1yaj n LEU 388 CO 0.00 0.10 -0.69 1.33 -1.33 0.00 0.00 177.39 176.80 1yaj n VAL 389 N -1.54 0.34 -2.96 4.08 0.24 -0.73 -4.41 118.33 113.35 1yaj n VAL 389 Ca 0.00 -0.26 -0.08 0.00 -2.04 0.00 0.00 64.34 61.96 1yaj n VAL 389 Cb 0.13 -0.50 0.04 0.00 -1.47 0.00 0.00 33.84 32.03 1yaj n VAL 389 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1yaj s ILE 391 N -3.21 3.13 0.52 0.00 1.01 -1.26 -5.08 121.20 116.31 1yaj s ILE 391 Ca 0.24 -0.66 -0.23 0.00 0.00 0.00 0.00 60.65 60.01 1yaj s ILE 391 Cb -0.03 -2.28 -0.06 0.00 0.01 0.00 0.00 42.46 40.10 1yaj s ILE 391 CO 0.65 0.55 1.37 0.00 0.00 0.00 0.00 174.94 177.51 1yaj s ALA 392 N -0.08 2.91 0.46 9.38 0.00 -1.26 -4.87 121.76 128.31 1yaj s ALA 392 Ca -0.02 1.36 0.32 0.00 0.00 0.00 0.00 51.96 53.62 1yaj s ALA 392 Cb -0.14 -3.57 1.71 0.00 0.00 0.00 0.00 23.12 21.12 1yaj s ALA 392 CO 0.04 -1.33 2.16 -0.22 0.00 0.00 0.00 175.76 176.40 1yaj h LYS 393 N 1.65 0.00 -0.03 0.00 3.64 -1.98 -0.70 116.57 119.15 1yaj h LYS 393 Ca -0.51 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1yaj h LYS 393 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1yaj h LYS 393 CO 0.58 0.06 0.00 -0.85 -2.27 0.00 0.00 179.45 176.97 1yaj n GLU 394 N -3.50 1.40 -0.02 1.90 0.28 -1.26 -3.68 120.64 115.76 1yaj n GLU 394 Ca -0.02 -0.58 0.01 0.00 -0.16 0.00 0.00 57.16 56.41 1yaj n GLU 394 Cb 0.18 -1.46 -0.06 0.00 1.43 0.00 0.00 31.44 31.53 1yaj n GLU 394 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1yaj n LEU 395 N -0.27 0.00 -0.27 -1.84 4.77 -0.30 -4.71 117.00 114.38 1yaj n LEU 395 Ca 0.20 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.16 1yaj n LEU 395 Cb 0.24 0.08 0.04 0.00 -2.33 0.00 0.00 43.42 41.45 1yaj n LEU 395 CO 0.16 0.08 0.64 0.40 -1.33 0.00 0.00 177.39 177.33 1yaj h ILE 396 N 0.00 0.13 0.31 -0.08 1.08 -1.55 0.21 117.51 117.60 1yaj h ILE 396 Ca -0.09 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 1yaj h ILE 396 Cb 0.83 0.13 -0.03 0.00 -3.07 0.00 0.00 36.82 34.68 1yaj h ILE 396 CO 0.00 0.00 -0.43 -0.65 -0.69 0.00 0.00 178.15 176.38 1yaj h PRO 397 N -0.08 -0.77 0.00 2.37 0.11 -1.84 0.95 132.00 132.75 1yaj h PRO 397 Ca 0.30 0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.46 1yaj h PRO 397 Cb 0.57 0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.86 1yaj h PRO 397 CO -0.80 -0.51 -0.01 1.49 -0.21 0.00 0.00 178.00 177.96 1yaj h GLU 398 N -0.79 0.00 0.18 1.05 4.81 -1.70 -2.44 114.58 115.68 1yaj h GLU 398 Ca -0.02 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1yaj h GLU 398 Cb 0.74 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1yaj h GLU 398 CO -0.14 0.01 -0.08 0.00 -0.73 0.00 0.00 179.01 178.06 1yaj h ALA 399 N 1.99 -0.43 0.00 2.92 0.00 0.93 -3.12 119.26 121.55 1yaj h ALA 399 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1yaj h ALA 399 Cb 0.12 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1yaj h ALA 399 CO 0.00 -0.42 0.00 0.25 0.00 0.00 0.00 179.25 179.09 1yaj n THR 400 N -3.45 1.44 -0.08 0.00 -2.24 0.18 -2.26 114.28 107.87 1yaj n THR 400 Ca -0.03 0.36 -0.15 0.00 -2.27 0.00 0.00 64.05 61.97 1yaj n THR 400 Cb 0.09 -1.36 -0.10 0.00 -2.10 0.00 0.00 70.33 66.86 1yaj n THR 400 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1yaj h GLU 401 N 0.00 0.00 -0.13 -0.78 4.57 -1.48 -1.82 114.58 114.94 1yaj h GLU 401 Ca 0.00 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.22 1yaj h GLU 401 Cb 0.01 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 1yaj h GLU 401 CO 0.00 0.83 0.12 -0.22 -1.18 0.00 0.00 179.01 178.56 1yaj h LYS 402 N -1.00 0.00 0.00 1.92 1.63 -1.38 0.54 116.57 118.28 1yaj h LYS 402 Ca -0.13 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.53 1yaj h LYS 402 Cb 0.97 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.58 1yaj h LYS 402 CO -0.08 0.00 -1.38 0.66 -3.45 0.00 0.00 179.45 175.20 1yaj n TYR 403 N -4.06 0.18 0.69 1.91 4.02 -1.20 -4.71 117.16 113.99 1yaj n TYR 403 Ca 0.00 0.08 0.12 0.00 -0.01 0.00 0.00 57.90 58.09 1yaj n TYR 403 Cb 0.24 -0.71 0.14 0.00 -0.02 0.00 0.00 39.34 38.99 1yaj n TYR 403 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1yaj n LEU 404 N -4.42 0.62 -0.47 7.72 4.77 -0.69 -4.32 117.00 120.21 1yaj n LEU 404 Ca -0.25 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1yaj n LEU 404 Cb 0.60 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1yaj n LEU 404 CO 0.15 0.03 0.16 0.61 -1.33 0.00 0.00 177.39 177.01 1yaj n GLY 405 N 1.39 0.82 0.10 -0.72 0.00 0.18 -3.74 105.19 103.23 1yaj n GLY 405 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 1yaj n GLY 405 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1yaj h GLY 406 N 3.42 0.00 -4.73 -0.02 0.00 -1.77 -3.48 103.07 96.48 1yaj h GLY 406 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 1yaj h GLY 406 CO 0.00 0.00 -0.85 -0.51 0.00 0.00 0.00 176.54 175.18 1yaj s THR 407 N -2.35 1.59 -1.97 4.70 -4.23 -1.25 -4.99 115.64 107.13 1yaj s THR 407 Ca -0.28 -0.96 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 1yaj s THR 407 Cb 0.06 -1.34 0.00 0.00 1.34 0.00 0.00 72.50 72.55 1yaj s THR 407 CO 0.57 0.36 0.64 0.47 -0.54 0.00 0.00 174.62 176.12 1yaj n ASP 408 N 2.35 0.02 -3.09 3.99 8.00 -1.26 -4.80 116.55 121.75 1yaj n ASP 408 Ca -0.16 -1.30 -0.14 0.00 0.71 0.00 0.00 54.79 53.90 1yaj n ASP 408 Cb 0.53 -0.01 0.13 0.00 -0.02 0.00 0.00 41.12 41.75 1yaj n ASP 408 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1yaj n ASP 409 N -0.48 -2.92 0.00 -2.24 -0.08 -1.26 -5.02 116.55 104.55 1yaj n ASP 409 Ca 0.00 -0.41 0.00 0.00 -1.51 0.00 0.00 54.79 52.87 1yaj n ASP 409 Cb 0.00 -0.44 0.00 0.00 2.34 0.00 0.00 41.12 43.02 1yaj n ASP 409 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1yaj n THR 410 N -4.24 0.00 0.72 5.18 -1.04 -1.26 -4.65 114.28 108.99 1yaj n THR 410 Ca 0.06 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.20 1yaj n THR 410 Cb 0.27 -0.29 0.46 0.00 -1.82 0.00 0.00 70.33 68.95 1yaj n THR 410 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1yaj n VAL 411 N -2.03 0.44 -0.01 12.58 0.24 -1.26 -3.18 118.33 125.11 1yaj n VAL 411 Ca 0.00 -0.20 0.04 0.00 -2.04 0.00 0.00 64.34 62.14 1yaj n VAL 411 Cb 0.24 -0.57 -0.13 0.00 -1.47 0.00 0.00 33.84 31.91 1yaj n VAL 411 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1yaj n LYS 412 N -2.06 0.65 0.05 7.34 5.02 -1.26 -3.68 118.16 124.22 1yaj n LYS 412 Ca 0.06 -0.04 0.10 0.00 -2.02 0.00 0.00 58.31 56.41 1yaj n LYS 412 Cb 0.40 -1.61 0.42 0.00 -0.02 0.00 0.00 35.03 34.23 1yaj n LYS 412 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1yaj n LYS 413 N -2.54 0.09 -0.05 1.97 5.02 -1.21 -0.76 118.16 120.68 1yaj n LYS 413 Ca -0.12 0.27 -0.03 0.00 -2.02 0.00 0.00 58.31 56.41 1yaj n LYS 413 Cb 0.76 -1.65 -0.01 0.00 -0.02 0.00 0.00 35.03 34.11 1yaj n LYS 413 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1yaj n LYS 414 N -1.81 0.32 -0.29 1.97 4.81 -1.24 -3.73 118.16 118.19 1yaj n LYS 414 Ca 0.04 0.44 0.10 0.00 -0.87 0.00 0.00 58.31 58.01 1yaj n LYS 414 Cb 0.24 -1.41 0.33 0.00 0.02 0.00 0.00 35.03 34.21 1yaj n LYS 414 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1yaj h ASP 415 N -0.70 0.75 0.67 3.14 3.32 -1.63 0.72 116.42 122.69 1yaj h ASP 415 Ca 0.00 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1yaj h ASP 415 Cb 0.37 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1yaj h ASP 415 CO 0.00 0.39 0.00 -0.07 -1.72 0.00 0.00 179.24 177.84 1yaj h LEU 416 N 0.80 0.00 -0.15 1.55 3.38 -1.14 -1.86 115.31 117.89 1yaj h LEU 416 Ca 0.45 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.19 1yaj h LEU 416 Cb 0.60 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.36 1yaj h LEU 416 CO -0.22 0.00 -0.92 0.15 0.09 0.00 0.00 178.44 177.55 1yaj h PHE 417 N 0.00 0.80 -0.20 1.13 3.57 0.37 -1.23 116.94 121.37 1yaj h PHE 417 Ca 0.00 -0.41 -0.12 0.00 3.53 0.00 0.00 57.97 60.97 1yaj h PHE 417 Cb 0.33 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1yaj h PHE 417 CO 0.00 1.23 -0.38 -0.07 -2.23 0.00 0.00 178.31 176.86 1yaj h LEU 418 N 0.34 0.48 -0.37 0.59 3.38 -0.92 -0.74 115.31 118.07 1yaj h LEU 418 Ca -0.08 -0.20 -0.18 0.00 0.09 0.00 0.00 57.88 57.51 1yaj h LEU 418 Cb 1.55 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.16 1yaj h LEU 418 CO 0.17 0.82 -0.56 0.44 0.09 0.00 0.00 178.44 179.39 1yaj h ASP 419 N 0.38 0.85 -0.78 -0.43 3.32 -1.36 -1.61 116.42 116.78 1yaj h ASP 419 Ca 0.04 -0.46 0.08 0.00 0.02 0.00 0.00 57.03 56.71 1yaj h ASP 419 Cb 0.84 -0.24 -0.07 0.00 0.22 0.00 0.00 39.33 40.08 1yaj h ASP 419 CO 0.07 1.23 0.45 0.25 -1.72 0.00 0.00 179.24 179.52 1yaj h LEU 420 N 0.58 0.66 0.23 1.55 7.12 -0.69 -2.19 115.31 122.56 1yaj h LEU 420 Ca 0.01 0.04 -0.01 0.00 0.13 0.00 0.00 57.88 58.05 1yaj h LEU 420 Cb 1.15 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 41.19 1yaj h LEU 420 CO 0.12 0.39 -0.11 0.40 -0.13 0.00 0.00 178.44 179.11 1yaj h ILE 421 N 0.78 0.82 -1.15 4.05 2.04 -0.99 -3.24 117.51 119.82 1yaj h ILE 421 Ca 0.37 -0.78 0.33 0.00 1.00 0.00 0.00 64.86 65.78 1yaj h ILE 421 Cb 0.29 1.24 -0.10 0.00 -0.74 0.00 0.00 36.82 37.51 1yaj h ILE 421 CO -0.22 0.16 0.75 0.00 0.00 0.00 0.00 178.15 178.84 1yaj h ALA 422 N -0.11 2.48 -0.28 1.87 0.00 -0.91 -0.56 119.26 121.75 1yaj h ALA 422 Ca -0.03 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1yaj h ALA 422 Cb 0.49 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1yaj h ALA 422 CO 0.05 -0.96 -0.34 -0.44 0.00 0.00 0.00 179.25 177.56 1yaj h ASP 423 N 0.25 0.62 0.92 0.00 3.32 -1.43 0.17 116.42 120.27 1yaj h ASP 423 Ca 0.68 -0.25 -0.22 0.00 0.02 0.00 0.00 57.03 57.25 1yaj h ASP 423 Cb 1.95 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 41.30 1yaj h ASP 423 CO -0.32 0.91 -1.12 0.58 -1.72 0.00 0.00 179.24 177.57 1yaj h VAL 424 N 0.51 1.54 0.00 -1.35 2.07 -1.22 0.35 116.25 118.15 1yaj h VAL 424 Ca 0.06 -3.26 -0.23 0.00 0.82 0.00 0.00 66.70 64.08 1yaj h VAL 424 Cb 0.82 2.76 -0.04 0.00 -1.52 0.00 0.00 31.29 33.31 1yaj h VAL 424 CO 0.07 0.88 -1.42 0.24 0.02 0.00 0.00 177.57 177.36 1yaj h MET 425 N 0.00 0.00 0.00 1.57 2.86 -1.27 -3.42 114.93 114.66 1yaj h MET 425 Ca -0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1yaj h MET 425 Cb 1.80 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.46 1yaj h MET 425 CO 0.12 0.52 -0.08 1.19 1.06 0.00 0.00 176.91 179.72 1yaj n PHE 426 N -3.07 0.00 0.00 -0.22 3.01 0.41 -4.82 117.46 112.77 1yaj n PHE 426 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.35 1yaj n PHE 426 Cb 0.95 0.42 0.00 0.00 -0.01 0.00 0.00 39.48 40.84 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 1.62 -2.17 0.35 1.37 0.00 -0.14 -0.77 105.19 105.44 1yaj n GLY 427 Ca 0.00 0.36 -0.10 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.69 1.61 2.07 -0.57 -1.92 116.25 116.98 1yaj h VAL 428 Ca 0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 1yaj h VAL 428 Cb 0.00 0.23 -0.13 0.00 -1.52 0.00 0.00 31.29 29.87 1yaj h VAL 428 CO 0.00 0.00 -0.33 -0.65 0.02 0.00 0.00 177.57 176.61 1yaj h PRO 429 N -0.39 -0.11 -0.61 1.57 0.11 -1.71 0.18 132.00 131.04 1yaj h PRO 429 Ca 0.11 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.26 1yaj h PRO 429 Cb 0.57 0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.66 1yaj h PRO 429 CO -0.42 -0.07 0.37 0.77 -0.21 0.00 0.00 178.00 178.44 1yaj h SER 430 N -0.11 0.59 -0.02 -2.05 0.02 -0.45 -1.01 113.55 110.51 1yaj h SER 430 Ca 0.27 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1yaj h SER 430 Cb 0.56 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 1yaj h SER 430 CO -0.75 0.41 0.01 0.58 -1.14 0.00 0.00 176.83 175.94 1yaj h VAL 431 N 0.72 1.11 -0.50 2.27 2.07 -0.40 -0.22 116.25 121.30 1yaj h VAL 431 Ca 0.25 -0.32 0.04 0.00 0.82 0.00 0.00 66.70 67.49 1yaj h VAL 431 Cb 0.05 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1yaj h VAL 431 CO -0.11 0.09 0.26 0.40 0.02 0.00 0.00 177.57 178.23 1yaj h ILE 432 N -0.09 0.98 -0.26 4.57 2.04 -0.45 0.33 117.51 124.62 1yaj h ILE 432 Ca 0.01 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 65.63 1yaj h ILE 432 Cb 0.13 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1yaj h ILE 432 CO -0.00 0.09 -0.08 0.58 0.00 0.00 0.00 178.15 178.75 1yaj h VAL 433 N 0.52 1.20 -0.17 1.67 2.07 -1.11 -1.88 116.25 118.55 1yaj h VAL 433 Ca 0.21 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 1yaj h VAL 433 Cb 0.10 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1yaj h VAL 433 CO -0.14 0.28 0.04 0.00 0.02 0.00 0.00 177.57 177.77 1yaj h ALA 434 N 1.53 0.22 0.18 1.67 0.00 0.77 -2.30 119.26 121.33 1yaj h ALA 434 Ca 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1yaj h ALA 434 Cb 0.39 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1yaj h ALA 434 CO 0.02 -0.14 -0.09 0.00 0.00 0.00 0.00 179.25 179.05 1yaj h ARG 435 N 0.08 -0.24 -0.86 0.00 3.08 -0.07 -2.11 114.38 114.26 1yaj h ARG 435 Ca 0.05 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.17 1yaj h ARG 435 Cb 0.27 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.31 1yaj h ARG 435 CO 0.00 -0.12 0.54 -0.91 -1.07 0.00 0.00 179.97 178.41 1yaj h ASN 436 N -0.29 0.87 -0.66 7.04 -0.26 -1.39 0.11 115.58 121.00 1yaj h ASN 436 Ca -0.02 0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.69 1yaj h ASN 436 Cb 0.22 -0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 37.28 1yaj h ASN 436 CO 0.04 0.57 0.30 -0.74 -1.06 0.00 0.00 177.43 176.54 1yaj h HIS 437 N 1.01 0.98 0.44 1.19 2.76 -1.32 -1.19 115.15 119.02 1yaj h HIS 437 Ca 0.37 -0.05 -0.02 0.00 -2.20 0.00 0.00 60.37 58.47 1yaj h HIS 437 Cb 0.12 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 28.78 1yaj h HIS 437 CO -0.03 0.73 -0.21 -0.09 -1.30 0.00 0.00 177.93 177.03 1yaj h ARG 438 N 0.97 -0.56 -0.81 5.26 2.43 -0.39 -3.02 114.38 118.26 1yaj h ARG 438 Ca 0.23 0.04 0.22 0.00 -0.81 0.00 0.00 59.98 59.66 1yaj h ARG 438 Cb 0.13 0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 1yaj h ARG 438 CO -0.03 -0.27 0.57 -0.44 -1.51 0.00 0.00 179.97 178.29 1yaj h ASP 439 N -0.82 0.13 -0.34 -3.80 3.32 -0.51 0.50 116.42 114.89 1yaj h ASP 439 Ca -0.06 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1yaj h ASP 439 Cb 0.55 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 1yaj h ASP 439 CO 0.10 0.05 0.17 0.00 -1.72 0.00 0.00 179.24 177.84 1yaj h ALA 440 N 1.61 1.59 0.00 3.45 0.00 -1.09 -3.46 119.26 121.36 1yaj h ALA 440 Ca 0.40 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1yaj h ALA 440 Cb 1.38 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1yaj h ALA 440 CO -0.06 0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.93 1yaj n GLY 441 N -1.26 1.51 3.85 0.00 0.00 0.17 -4.98 105.19 104.47 1yaj n GLY 441 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.73 3.28 0.55 4.61 0.00 -1.23 -5.03 121.76 122.20 1yaj s ALA 442 Ca 0.00 0.05 -0.21 0.00 0.00 0.00 0.00 51.96 51.80 1yaj s ALA 442 Cb 0.00 -2.82 -0.06 0.00 0.00 0.00 0.00 23.12 20.24 1yaj s ALA 442 CO 0.00 0.21 1.12 -2.30 0.00 0.00 0.00 175.76 174.80 1yaj n PRO 443 N -0.64 1.28 -3.75 0.00 -0.02 -1.26 -4.40 135.00 126.21 1yaj n PRO 443 Ca 0.04 0.48 -0.13 0.00 -2.02 0.00 0.00 63.50 61.86 1yaj n PRO 443 Cb 0.53 -2.30 -0.10 0.00 -0.02 0.00 0.00 33.50 31.62 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 -1.38 0.02 -0.08 3.45 2.01 -1.26 -1.81 115.64 116.58 1yaj s THR 444 Ca 0.72 -0.17 -0.10 0.00 0.31 0.00 0.00 61.69 62.45 1yaj s THR 444 Cb -0.44 -0.55 0.02 0.00 0.01 0.00 0.00 72.50 71.54 1yaj s THR 444 CO 0.50 -0.09 0.26 -0.31 -0.69 0.00 0.00 174.62 174.29 1yaj s TYR 445 N -0.37 -0.26 0.12 4.92 2.02 -0.84 0.77 117.35 123.72 1yaj s TYR 445 Ca -0.05 0.61 0.06 0.00 -0.37 0.00 0.00 57.07 57.32 1yaj s TYR 445 Cb -0.03 0.09 -0.04 0.00 -0.40 0.00 0.00 41.96 41.58 1yaj s TYR 445 CO 0.02 -0.18 -0.14 -1.64 -1.57 0.00 0.00 175.55 172.04 1yaj s MET 446 N -0.14 1.01 0.05 -0.62 -1.94 -1.24 0.00 119.30 116.43 1yaj s MET 446 Ca -0.03 -1.24 -0.05 0.00 -1.71 0.00 0.00 55.69 52.67 1yaj s MET 446 Cb -0.03 -0.88 -0.02 0.00 2.01 0.00 0.00 34.83 35.92 1yaj s MET 446 CO 0.01 0.17 0.07 1.52 -0.01 0.00 0.00 175.02 176.78 1yaj s TYR 447 N -2.17 0.28 -0.38 -0.03 1.13 -1.12 -1.17 117.35 113.89 1yaj s TYR 447 Ca 0.09 -0.67 0.02 0.00 -1.41 0.00 0.00 57.07 55.10 1yaj s TYR 447 Cb -0.05 -0.20 0.11 0.00 -1.10 0.00 0.00 41.96 40.73 1yaj s TYR 447 CO 0.03 -0.39 0.13 -2.00 -2.51 0.00 0.00 175.55 170.81 1yaj s GLU 448 N -3.11 1.27 0.02 -3.49 2.12 0.12 -1.09 118.70 114.53 1yaj s GLU 448 Ca -0.01 -1.76 -0.30 0.00 0.36 0.00 0.00 54.97 53.26 1yaj s GLU 448 Cb 0.02 -2.67 -0.07 0.00 0.26 0.00 0.00 34.13 31.67 1yaj s GLU 448 CO -0.07 -1.02 1.60 0.12 -0.54 0.00 0.00 175.26 175.34 1yaj s PHE 449 N 0.84 2.39 -0.42 5.30 5.36 -0.26 -2.79 117.98 128.40 1yaj s PHE 449 Ca 0.13 0.40 0.05 0.00 -0.96 0.00 0.00 56.93 56.55 1yaj s PHE 449 Cb -0.21 -3.88 0.20 0.00 -0.34 0.00 0.00 43.02 38.79 1yaj s PHE 449 CO -0.10 -3.54 0.41 0.94 -1.46 0.00 0.00 175.22 171.47 1yaj n GLN 450 N 5.97 0.45 -3.68 10.12 7.27 -0.33 0.08 117.38 137.25 1yaj n GLN 450 Ca 0.16 -3.26 -0.14 0.00 0.07 0.00 0.00 57.00 53.83 1yaj n GLN 450 Cb 0.42 -1.55 -0.07 0.00 2.41 0.00 0.00 30.24 31.45 1yaj n GLN 450 CO 0.00 0.00 0.00 -0.47 0.07 0.00 0.00 177.06 176.66 1yaj s TYR 451 N -0.45 -0.31 -0.23 3.69 5.04 -1.26 -3.96 117.35 119.87 1yaj s TYR 451 Ca 0.34 0.45 -0.06 0.00 -2.44 0.00 0.00 57.07 55.35 1yaj s TYR 451 Cb 0.08 0.20 -0.03 0.00 0.35 0.00 0.00 41.96 42.56 1yaj s TYR 451 CO -0.17 -0.49 0.04 0.50 -1.34 0.00 0.00 175.55 174.10 1yaj s ARG 452 N -1.59 3.63 0.29 4.97 3.52 -1.26 -1.31 118.95 127.21 1yaj s ARG 452 Ca -0.11 -0.50 -0.29 0.00 -0.13 0.00 0.00 55.73 54.71 1yaj s ARG 452 Cb -0.03 -3.23 -0.10 0.00 -1.56 0.00 0.00 34.95 30.03 1yaj s ARG 452 CO 0.04 -0.12 1.12 -1.25 -0.81 0.00 0.00 175.30 174.27 1yaj s PRO 453 N 1.41 4.58 0.00 5.12 0.04 -1.26 -4.92 135.00 139.97 1yaj s PRO 453 Ca 0.05 1.83 0.30 0.00 0.04 0.00 0.00 61.00 63.22 1yaj s PRO 453 Cb -0.15 -3.14 1.46 0.00 0.04 0.00 0.00 34.50 32.71 1yaj s PRO 453 CO 0.02 0.15 2.00 -1.13 0.04 0.00 0.00 177.00 178.08 1yaj n SER 454 N 1.07 0.24 -1.81 6.66 3.41 -1.26 -3.10 113.62 118.83 1yaj n SER 454 Ca -0.01 -0.52 0.08 0.00 -0.26 0.00 0.00 58.87 58.16 1yaj n SER 454 Cb 0.45 -0.14 0.39 0.00 -0.26 0.00 0.00 64.21 64.65 1yaj n SER 454 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1yaj n PHE 455 N -1.05 1.92 -0.93 7.33 0.99 -1.26 -4.96 117.46 119.49 1yaj n PHE 455 Ca 0.16 -0.68 -0.06 0.00 -0.00 0.00 0.00 57.45 56.87 1yaj n PHE 455 Cb 0.24 -0.44 0.05 0.00 -1.00 0.00 0.00 39.48 38.32 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 0.76 -0.53 -4.81 4.37 7.64 -1.18 -5.04 113.62 114.83 1yaj n SER 456 Ca 0.27 -0.89 -0.38 0.00 1.01 0.00 0.00 58.87 58.88 1yaj n SER 456 Cb 1.11 -0.21 -0.06 0.00 -1.01 0.00 0.00 64.21 64.04 1yaj n SER 456 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1yaj s SER 457 N -2.05 6.74 0.48 6.43 0.15 -1.26 -4.96 113.70 119.23 1yaj s SER 457 Ca 0.15 0.87 0.23 0.00 0.70 0.00 0.00 55.95 57.91 1yaj s SER 457 Cb -0.01 -2.24 1.27 0.00 -1.71 0.00 0.00 66.02 63.33 1yaj s SER 457 CO 0.11 0.26 1.91 0.44 1.20 0.00 0.00 173.24 177.17 1yaj h ASP 458 N 5.20 0.18 0.00 5.45 3.32 -1.98 0.97 116.42 129.56 1yaj h ASP 458 Ca -0.49 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1yaj h ASP 458 Cb 1.21 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1yaj h ASP 458 CO 0.65 0.08 0.00 0.23 -1.72 0.00 0.00 179.24 178.48 1yaj n MET 459 N -4.40 0.69 -3.71 3.56 2.81 -1.26 -4.74 117.12 110.07 1yaj n MET 459 Ca 0.16 0.00 -0.35 0.00 -1.81 0.00 0.00 57.70 55.69 1yaj n MET 459 Cb 0.72 -1.49 -0.08 0.00 -0.71 0.00 0.00 33.22 31.65 1yaj n MET 459 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1yaj s LYS 460 N -2.00 4.16 0.52 0.03 2.20 0.33 -5.07 119.74 119.92 1yaj s LYS 460 Ca 0.33 -0.22 -0.21 0.00 -0.36 0.00 0.00 55.97 55.50 1yaj s LYS 460 Cb 0.15 -3.45 -0.07 0.00 -1.51 0.00 0.00 37.83 32.94 1yaj s LYS 460 CO 0.25 0.24 1.00 -0.35 -0.36 0.00 0.00 175.35 176.13 1yaj n PRO 461 N 3.71 1.16 -0.05 4.03 -0.04 -1.26 -4.88 135.00 137.67 1yaj n PRO 461 Ca -0.16 0.43 0.10 0.00 -0.04 0.00 0.00 63.50 63.84 1yaj n PRO 461 Cb 0.52 -2.13 0.43 0.00 -0.04 0.00 0.00 33.50 32.28 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 -0.45 1.48 0.02 0.54 5.02 -1.26 -3.42 118.16 120.09 1yaj n LYS 462 Ca 0.11 -0.72 -0.01 0.00 -2.02 0.00 0.00 58.31 55.67 1yaj n LYS 462 Cb 0.44 -1.36 -0.10 0.00 -0.02 0.00 0.00 35.03 33.99 1yaj n LYS 462 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1yaj n THR 463 N -0.06 1.18 -2.60 -0.18 -2.24 -1.26 -4.85 114.28 104.27 1yaj n THR 463 Ca 0.15 -0.70 -0.43 0.00 -2.27 0.00 0.00 64.05 60.80 1yaj n THR 463 Cb 0.24 -0.71 -0.02 0.00 -2.10 0.00 0.00 70.33 67.74 1yaj n THR 463 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1yaj s VAL 464 N -2.90 4.58 0.05 2.28 1.01 -1.22 -5.03 120.40 119.16 1yaj s VAL 464 Ca -0.04 1.88 0.09 0.00 0.00 0.00 0.00 61.98 63.91 1yaj s VAL 464 Cb 0.09 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 1yaj s VAL 464 CO 0.82 -0.07 -0.25 -0.63 0.00 0.00 0.00 175.10 174.96 1yaj s ILE 465 N 2.64 2.03 -1.00 2.22 1.01 -1.26 -4.81 121.20 122.03 1yaj s ILE 465 Ca 0.49 -1.35 -0.06 0.00 0.00 0.00 0.00 60.65 59.73 1yaj s ILE 465 Cb -0.19 -1.74 -0.05 0.00 0.01 0.00 0.00 42.46 40.49 1yaj s ILE 465 CO 0.14 0.32 0.86 0.61 0.00 0.00 0.00 174.94 176.88 1yaj n GLY 466 N 1.78 -1.17 1.90 6.18 0.00 -0.42 -3.51 105.19 109.95 1yaj n GLY 466 Ca -0.17 0.55 -0.14 0.00 0.00 0.00 0.00 46.02 46.26 1yaj n GLY 466 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1yaj n ASP 467 N -2.89 0.06 -4.67 1.61 2.03 -1.26 -0.16 116.55 111.28 1yaj n ASP 467 Ca -0.06 -1.24 -0.42 0.00 0.52 0.00 0.00 54.79 53.58 1yaj n ASP 467 Cb 0.60 -0.50 -0.03 0.00 -0.72 0.00 0.00 41.12 40.47 1yaj n ASP 467 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1yaj s HIS 468 N -2.40 1.58 0.00 -0.67 5.04 -1.11 -2.12 115.29 115.60 1yaj s HIS 468 Ca 0.37 -0.32 0.00 0.00 -1.54 0.00 0.00 55.06 53.57 1yaj s HIS 468 Cb -0.01 -4.23 0.00 0.00 0.04 0.00 0.00 32.58 28.38 1yaj s HIS 468 CO 0.26 -5.37 0.00 0.41 -2.34 0.00 0.00 174.74 167.70 1yaj n GLY 469 N 4.44 0.32 0.10 1.59 0.00 -1.26 -4.82 105.19 105.56 1yaj n GLY 469 Ca 0.19 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.26 1yaj n GLY 469 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1yaj n ASP 470 N -0.24 0.27 0.19 1.61 9.92 -0.90 -0.23 116.55 127.17 1yaj n ASP 470 Ca 0.00 0.54 0.13 0.00 -0.53 0.00 0.00 54.79 54.94 1yaj n ASP 470 Cb 0.12 -0.54 0.34 0.00 -0.64 0.00 0.00 41.12 40.39 1yaj n ASP 470 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1yaj h GLU 471 N 0.00 0.00 -0.18 -1.24 9.09 -1.88 -3.36 114.58 117.02 1yaj h GLU 471 Ca 0.00 0.00 0.02 0.00 0.05 0.00 0.00 59.36 59.43 1yaj h GLU 471 Cb 0.31 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.38 1yaj h GLU 471 CO 0.00 0.00 -0.20 -0.07 0.05 0.00 0.00 179.01 178.79 1yaj h LEU 472 N 0.00 -0.68 -1.31 3.06 3.38 -1.00 -1.41 115.31 117.35 1yaj h LEU 472 Ca 0.00 0.09 0.46 0.00 0.09 0.00 0.00 57.88 58.52 1yaj h LEU 472 Cb 0.81 0.28 -0.14 0.00 0.09 0.00 0.00 40.66 41.70 1yaj h LEU 472 CO 0.00 -0.13 0.83 0.49 0.09 0.00 0.00 178.44 179.72 1yaj n PHE 473 N -3.67 0.73 0.04 1.13 3.01 -1.26 -0.67 117.46 116.76 1yaj n PHE 473 Ca -0.01 0.73 -0.02 0.00 1.01 0.00 0.00 57.45 59.17 1yaj n PHE 473 Cb 0.12 -1.17 -0.01 0.00 -0.01 0.00 0.00 39.48 38.41 1yaj n PHE 473 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1yaj h SER 474 N 0.00 -0.09 -0.98 4.37 0.02 -1.52 0.49 113.55 115.84 1yaj h SER 474 Ca 0.85 0.00 0.30 0.00 -0.84 0.00 0.00 61.79 62.11 1yaj h SER 474 Cb 2.71 0.02 -0.18 0.00 0.14 0.00 0.00 62.40 65.09 1yaj h SER 474 CO -0.48 -0.01 0.13 0.52 -1.14 0.00 0.00 176.83 175.85 1yaj n VAL 475 N -2.61 -0.41 -1.29 2.27 0.31 0.01 -0.07 118.33 116.54 1yaj n VAL 475 Ca -0.01 2.13 -0.30 0.00 -0.01 0.00 0.00 64.34 66.14 1yaj n VAL 475 Cb 0.04 -3.18 0.12 0.00 -0.91 0.00 0.00 33.84 29.91 1yaj n VAL 475 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1yaj n PHE 476 N -5.42 3.16 -4.01 3.52 3.01 0.15 -4.71 117.46 113.16 1yaj n PHE 476 Ca 0.26 -2.55 -0.32 0.00 1.01 0.00 0.00 57.45 55.86 1yaj n PHE 476 Cb 0.86 -1.25 -0.07 0.00 -0.01 0.00 0.00 39.48 39.02 1yaj n PHE 476 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yaj n GLY 477 N -1.01 -0.24 0.36 1.37 0.00 0.90 -4.66 105.19 101.91 1yaj n GLY 477 Ca 0.62 0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.86 1yaj n GLY 477 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj h ALA 478 N 1.04 2.09 -0.17 4.61 0.00 -0.21 -1.18 119.26 125.43 1yaj h ALA 478 Ca -0.52 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.44 1yaj h ALA 478 Cb 1.15 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1yaj h ALA 478 CO 0.68 -0.23 0.23 -1.35 0.00 0.00 0.00 179.25 178.58 1yaj h PRO 479 N 0.36 0.00 0.02 0.00 0.11 -1.88 0.46 132.00 131.07 1yaj h PRO 479 Ca 0.29 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 66.06 1yaj h PRO 479 Cb 0.65 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.71 1yaj h PRO 479 CO -0.08 0.00 -1.90 1.19 -0.21 0.00 0.00 178.00 177.00 1yaj n PHE 480 N -3.60 0.62 -0.21 0.65 3.01 -0.47 -4.48 117.46 112.98 1yaj n PHE 480 Ca 0.01 0.23 -0.09 0.00 1.01 0.00 0.00 57.45 58.62 1yaj n PHE 480 Cb 0.35 -1.07 0.02 0.00 -0.01 0.00 0.00 39.48 38.78 1yaj n PHE 480 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1yaj h LEU 481 N -0.78 0.97 0.00 4.37 3.38 -1.25 -3.43 115.31 118.56 1yaj h LEU 481 Ca -0.50 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.18 1yaj h LEU 481 Cb 1.55 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1yaj h LEU 481 CO -0.24 1.01 0.00 0.29 0.09 0.00 0.00 178.44 179.59 1yaj n LYS 482 N -4.27 3.84 -3.64 1.13 5.02 0.13 -4.03 118.16 116.34 1yaj n LYS 482 Ca 0.03 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.27 1yaj n LYS 482 Cb 0.31 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.25 1yaj n LYS 482 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1yaj s GLU 483 N 0.00 0.27 0.00 1.97 2.02 -1.26 -4.86 118.70 116.84 1yaj s GLU 483 Ca 0.00 0.35 0.00 0.00 0.02 0.00 0.00 54.97 55.34 1yaj s GLU 483 Cb 0.00 0.12 0.00 0.00 0.10 0.00 0.00 34.13 34.35 1yaj s GLU 483 CO 0.00 -0.04 0.00 0.41 0.02 0.00 0.00 175.26 175.65 1yaj n GLY 484 N 2.19 0.49 3.33 -1.39 0.00 -1.26 -5.12 105.19 103.43 1yaj n GLY 484 Ca -0.13 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.56 2.22 0.60 4.61 0.00 -1.26 -5.00 121.76 121.38 1yaj s ALA 485 Ca 0.00 -1.17 -0.18 0.00 0.00 0.00 0.00 51.96 50.62 1yaj s ALA 485 Cb 0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.54 1yaj s ALA 485 CO 0.00 0.53 1.15 -1.54 0.00 0.00 0.00 175.76 175.90 1yaj s SER 486 N -0.85 5.32 0.50 0.00 1.04 -1.26 -4.83 113.70 113.63 1yaj s SER 486 Ca 0.11 2.18 0.25 0.00 0.48 0.00 0.00 55.95 58.97 1yaj s SER 486 Cb -0.10 -2.58 1.33 0.00 0.10 0.00 0.00 66.02 64.77 1yaj s SER 486 CO 0.00 -1.49 1.92 -0.08 0.98 0.00 0.00 173.24 174.57 1yaj h GLU 487 N 0.69 0.12 0.77 4.02 4.57 -2.00 -1.17 114.58 121.59 1yaj h GLU 487 Ca -0.49 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 57.65 1yaj h GLU 487 Cb 1.27 -0.03 0.01 0.00 -0.16 0.00 0.00 28.75 29.84 1yaj h GLU 487 CO 0.55 0.08 -0.37 1.49 -1.18 0.00 0.00 179.01 179.58 1yaj h GLU 488 N 0.12 -0.99 -0.04 1.92 4.81 -1.98 0.29 114.58 118.71 1yaj h GLU 488 Ca 0.37 0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.68 1yaj h GLU 488 Cb 1.28 0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.88 1yaj h GLU 488 CO -0.05 -0.65 0.03 1.49 -0.73 0.00 0.00 179.01 179.10 1yaj h GLU 489 N -1.08 0.00 -0.00 1.92 4.81 -1.62 -0.17 114.58 118.44 1yaj h GLU 489 Ca -0.11 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1yaj h GLU 489 Cb 0.80 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.18 1yaj h GLU 489 CO 0.17 0.00 -0.01 0.82 -0.73 0.00 0.00 179.01 179.27 1yaj h ILE 490 N 0.00 1.46 -0.06 2.32 2.04 -0.95 -2.61 117.51 119.70 1yaj h ILE 490 Ca 0.02 -1.36 -0.02 0.00 1.00 0.00 0.00 64.86 64.50 1yaj h ILE 490 Cb 0.07 2.38 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 1yaj h ILE 490 CO -0.00 0.35 -0.04 0.03 0.00 0.00 0.00 178.15 178.49 1yaj h ARG 491 N -0.56 0.09 0.28 2.37 3.08 0.21 -2.61 114.38 117.24 1yaj h ARG 491 Ca 0.00 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1yaj h ARG 491 Cb 0.58 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1yaj h ARG 491 CO 0.00 0.14 -0.14 1.25 -1.07 0.00 0.00 179.97 180.16 1yaj h LEU 492 N 0.09 -0.32 -0.28 3.04 5.85 -0.96 -3.01 115.31 119.72 1yaj h LEU 492 Ca 0.02 -0.15 0.07 0.00 0.84 0.00 0.00 57.88 58.66 1yaj h LEU 492 Cb 0.14 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.17 1yaj h LEU 492 CO 0.01 -0.02 -0.25 -1.28 -0.34 0.00 0.00 178.44 176.55 1yaj h SER 493 N -0.63 -0.82 -1.15 1.25 0.87 -1.22 0.18 113.55 112.03 1yaj h SER 493 Ca -0.04 0.15 0.33 0.00 -1.23 0.00 0.00 61.79 61.00 1yaj h SER 493 Cb 0.45 0.39 -0.06 0.00 -0.44 0.00 0.00 62.40 62.74 1yaj h SER 493 CO 0.06 -0.28 0.81 0.11 -0.53 0.00 0.00 176.83 177.00 1yaj h LYS 494 N -0.24 0.09 0.22 2.24 1.57 -1.50 -0.85 116.57 118.09 1yaj h LYS 494 Ca 0.15 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1yaj h LYS 494 Cb 0.47 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1yaj h LYS 494 CO -0.42 0.06 -0.11 1.98 -0.57 0.00 0.00 179.45 180.39 1yaj h MET 495 N 0.09 -0.28 -1.02 3.15 4.05 -0.51 -2.92 114.93 117.49 1yaj h MET 495 Ca 0.58 0.02 0.26 0.00 -0.28 0.00 0.00 59.70 60.27 1yaj h MET 495 Cb 2.10 0.06 -0.08 0.00 -0.80 0.00 0.00 31.60 32.88 1yaj h MET 495 CO -0.08 -0.19 0.67 0.28 0.23 0.00 0.00 176.91 177.82 1yaj h VAL 496 N -0.60 0.55 -0.20 -5.77 2.07 -0.89 0.25 116.25 111.66 1yaj h VAL 496 Ca -0.03 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1yaj h VAL 496 Cb 0.23 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1yaj h VAL 496 CO 0.05 0.07 0.09 0.24 0.02 0.00 0.00 177.57 178.04 1yaj h MET 497 N 0.36 0.29 -0.28 1.57 2.07 -1.25 0.22 114.93 117.92 1yaj h MET 497 Ca 0.56 -0.05 0.02 0.00 -2.07 0.00 0.00 59.70 58.17 1yaj h MET 497 Cb 1.50 -0.05 -0.03 0.00 -1.87 0.00 0.00 31.60 31.15 1yaj h MET 497 CO -0.24 0.32 0.11 0.87 1.07 0.00 0.00 176.91 179.05 1yaj h LYS 498 N 0.19 0.24 0.13 1.72 1.57 -0.35 0.40 116.57 120.47 1yaj h LYS 498 Ca 0.07 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1yaj h LYS 498 Cb 0.13 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1yaj h LYS 498 CO -0.01 0.16 -0.20 0.74 -0.57 0.00 0.00 179.45 179.57 1yaj h PHE 499 N 0.25 -0.55 -0.25 -1.35 0.05 -0.97 0.74 116.94 114.85 1yaj h PHE 499 Ca 0.12 0.01 0.06 0.00 3.82 0.00 0.00 57.97 61.97 1yaj h PHE 499 Cb 0.07 0.23 -0.08 0.00 2.00 0.00 0.00 35.95 38.17 1yaj h PHE 499 CO -0.12 -0.24 -0.40 -1.49 -0.18 0.00 0.00 178.31 175.88 1yaj h TRP 500 N -0.34 -1.14 -0.45 -0.55 -0.00 -0.42 0.34 115.95 113.39 1yaj h TRP 500 Ca -0.01 0.05 0.09 0.00 -0.00 0.00 0.00 58.89 59.02 1yaj h TRP 500 Cb 0.31 0.53 -0.08 0.00 -0.00 0.00 0.00 29.16 29.92 1yaj h TRP 500 CO -0.23 -0.44 -0.09 0.00 -0.00 0.00 0.00 178.44 177.67 1yaj h ALA 501 N 0.34 0.32 -0.25 1.49 0.00 -0.06 -0.36 119.26 120.73 1yaj h ALA 501 Ca 0.11 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1yaj h ALA 501 Cb 0.59 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1yaj h ALA 501 CO -0.47 -0.44 0.16 -0.91 0.00 0.00 0.00 179.25 177.60 1yaj h ASN 502 N 0.02 0.28 -0.70 0.00 2.35 0.14 -1.37 115.58 116.28 1yaj h ASN 502 Ca 0.22 -0.01 0.10 0.00 -0.55 0.00 0.00 56.30 56.06 1yaj h ASN 502 Cb 0.33 -0.07 -0.08 0.00 0.05 0.00 0.00 38.32 38.56 1yaj h ASN 502 CO -0.45 0.20 0.32 0.15 -1.65 0.00 0.00 177.43 176.00 1yaj h PHE 503 N 0.33 0.57 0.00 1.19 3.57 0.58 0.30 116.94 123.48 1yaj h PHE 503 Ca 0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1yaj h PHE 503 Cb -0.03 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.56 1yaj h PHE 503 CO -0.06 0.17 0.00 0.00 -2.23 0.00 0.00 178.31 176.19 1yaj n ALA 504 N -2.44 1.61 -0.11 2.41 0.00 -0.24 0.76 120.51 122.50 1yaj n ALA 504 Ca 0.11 -0.01 -0.25 0.00 0.00 0.00 0.00 53.44 53.29 1yaj n ALA 504 Cb 0.30 -1.26 -0.11 0.00 0.00 0.00 0.00 19.45 18.38 1yaj n ALA 504 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1yaj n ARG 505 N -1.69 0.61 -0.00 0.00 1.74 0.88 -4.75 116.66 113.45 1yaj n ARG 505 Ca 0.03 0.33 0.02 0.00 -0.77 0.00 0.00 57.85 57.46 1yaj n ARG 505 Cb 0.17 -1.59 -0.03 0.00 -1.02 0.00 0.00 32.46 29.99 1yaj n ARG 505 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1yaj n ASN 506 N -4.05 3.48 0.00 0.55 3.02 -0.13 -4.99 115.26 113.14 1yaj n ASN 506 Ca -0.45 -0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.02 1yaj n ASN 506 Cb 0.87 1.17 0.00 0.00 -0.61 0.00 0.00 39.78 41.21 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 2.09 0.74 2.63 7.41 0.00 0.23 -5.02 105.19 113.28 1yaj n GLY 507 Ca -0.01 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.04 2.57 0.41 1.61 3.84 -1.25 -4.89 114.94 115.18 1yaj s ASN 508 Ca 0.00 -0.72 0.17 0.00 0.21 0.00 0.00 52.86 52.52 1yaj s ASN 508 Cb 0.00 -0.33 1.05 0.00 -0.55 0.00 0.00 41.25 41.42 1yaj s ASN 508 CO 0.00 -0.35 1.86 1.55 -2.79 0.00 0.00 177.10 177.37 1yaj h PRO 509 N 8.38 0.42 -6.35 0.43 0.13 -1.82 -3.35 132.00 129.85 1yaj h PRO 509 Ca -0.16 -0.03 -0.57 0.00 -0.87 0.00 0.00 66.00 64.38 1yaj h PRO 509 Cb 1.13 -0.10 0.19 0.00 0.13 0.00 0.00 31.00 32.36 1yaj h PRO 509 CO 0.31 0.28 -0.87 0.09 -0.23 0.00 0.00 178.00 177.58 1yaj n ASN 510 N -4.52 -2.76 -0.99 1.44 3.02 -1.26 -4.47 115.26 105.71 1yaj n ASN 510 Ca 0.19 0.54 0.00 0.00 -0.03 0.00 0.00 54.58 55.28 1yaj n ASN 510 Cb 0.66 -1.03 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 1yaj n ASN 510 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yaj n GLY 511 N 2.22 1.25 3.73 7.41 0.00 -1.26 -4.93 105.19 113.61 1yaj n GLY 511 Ca 0.07 -0.91 -0.39 0.00 0.00 0.00 0.00 46.02 44.79 1yaj n GLY 511 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1yaj s GLU 512 N -1.97 4.38 0.00 1.61 2.12 -1.26 -3.93 118.70 119.65 1yaj s GLU 512 Ca 0.00 0.75 0.00 0.00 0.36 0.00 0.00 54.97 56.08 1yaj s GLU 512 Cb 0.00 -3.41 0.00 0.00 0.26 0.00 0.00 34.13 30.98 1yaj s GLU 512 CO 0.00 0.19 0.00 0.41 -0.54 0.00 0.00 175.26 175.32 1yaj n GLY 513 N 2.89 1.89 3.77 -1.50 0.00 -1.26 -5.03 105.19 105.96 1yaj n GLY 513 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 1yaj n GLY 513 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yaj s LEU 514 N 0.00 3.83 1.19 0.99 1.43 -1.25 -5.10 118.68 119.76 1yaj s LEU 514 Ca 0.00 0.10 -0.16 0.00 -1.03 0.00 0.00 54.13 53.04 1yaj s LEU 514 Cb 0.00 -2.27 0.24 0.00 0.03 0.00 0.00 46.19 44.19 1yaj s LEU 514 CO 0.00 0.26 0.63 -2.65 0.23 0.00 0.00 176.35 174.82 1yaj n PRO 515 N 1.09 -2.43 -3.32 1.29 -0.02 -1.26 -4.70 135.00 125.64 1yaj n PRO 515 Ca -0.12 -0.69 -0.39 0.00 -2.02 0.00 0.00 63.50 60.28 1yaj n PRO 515 Cb 0.52 -1.97 -0.07 0.00 -0.02 0.00 0.00 33.50 31.97 1yaj n PRO 515 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1yaj s HIS 516 N -2.31 3.38 -0.44 6.00 2.46 -1.26 -4.74 115.29 118.38 1yaj s HIS 516 Ca 0.64 0.69 -0.10 0.00 0.47 0.00 0.00 55.06 56.76 1yaj s HIS 516 Cb -0.20 -2.59 0.09 0.00 -0.13 0.00 0.00 32.58 29.75 1yaj s HIS 516 CO 0.65 -0.04 0.30 -0.46 -2.47 0.00 0.00 174.74 172.72 1yaj s TRP 517 N 1.41 3.34 0.44 3.88 -0.11 -1.26 -4.44 118.94 122.20 1yaj s TRP 517 Ca 0.21 -1.52 -0.24 0.00 1.22 0.00 0.00 56.10 55.77 1yaj s TRP 517 Cb -0.15 -3.10 -0.08 0.00 -1.50 0.00 0.00 33.47 28.64 1yaj s TRP 517 CO 0.09 -0.87 1.27 -1.25 -4.62 0.00 0.00 176.95 171.56 1yaj s PRO 518 N 1.44 3.78 0.66 5.86 0.04 -1.26 -4.81 135.00 140.71 1yaj s PRO 518 Ca 0.04 2.05 -0.16 0.00 0.04 0.00 0.00 61.00 62.97 1yaj s PRO 518 Cb -0.24 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 31.72 1yaj s PRO 518 CO 0.02 -0.62 1.14 -2.00 0.04 0.00 0.00 177.00 175.58 1yaj s GLU 519 N -2.47 2.72 -1.25 4.56 2.12 -1.26 -4.68 118.70 118.44 1yaj s GLU 519 Ca 0.61 1.51 -0.12 0.00 0.36 0.00 0.00 54.97 57.33 1yaj s GLU 519 Cb -0.36 -1.93 0.16 0.00 0.26 0.00 0.00 34.13 32.27 1yaj s GLU 519 CO 0.44 -1.33 1.64 0.98 -0.54 0.00 0.00 175.26 176.45 1yaj n TYR 520 N -2.33 4.15 -1.60 5.30 9.36 0.23 -4.18 117.16 128.08 1yaj n TYR 520 Ca 0.11 -3.11 0.00 0.00 3.32 0.00 0.00 57.90 58.22 1yaj n TYR 520 Cb 0.51 -2.13 0.00 0.00 -0.63 0.00 0.00 39.34 37.09 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 5.11 0.00 0.01 2.98 0.23 -1.26 -4.69 115.26 117.64 1yaj n ASN 521 Ca 0.39 0.00 0.20 0.00 -0.53 0.00 0.00 54.58 54.64 1yaj n ASN 521 Cb 0.40 0.00 0.69 0.00 -2.08 0.00 0.00 39.78 38.80 1yaj n ASN 521 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1yaj h GLN 522 N 0.00 0.00 0.00 -3.83 1.08 -1.99 0.42 115.11 110.79 1yaj h GLN 522 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1yaj h GLN 522 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1yaj h GLN 522 CO 0.00 0.00 0.00 -0.22 -0.95 0.00 0.00 178.83 177.66 1yaj h LYS 523 N 0.00 0.00 -6.25 1.46 1.63 -1.92 -3.48 116.57 108.01 1yaj h LYS 523 Ca 0.24 0.00 -0.35 0.00 -0.85 0.00 0.00 60.65 59.69 1yaj h LYS 523 Cb 0.97 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 32.62 1yaj h LYS 523 CO -0.00 0.00 -0.75 0.39 -3.45 0.00 0.00 179.45 175.64 1yaj n GLU 524 N -2.45 -1.33 -4.38 1.90 1.02 0.15 -4.34 120.64 111.21 1yaj n GLU 524 Ca 0.03 0.85 -0.35 0.00 -0.02 0.00 0.00 57.16 57.67 1yaj n GLU 524 Cb 0.31 -3.70 -0.10 0.00 -0.02 0.00 0.00 31.44 27.93 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 -3.14 1.84 0.29 0.62 0.00 -1.26 0.49 107.32 106.17 1yaj s GLY 525 Ca 0.14 -0.83 0.05 0.00 0.00 0.00 0.00 44.72 44.08 1yaj s GLY 525 CO 0.85 -0.61 0.01 -2.52 0.00 0.00 0.00 173.10 170.83 1yaj s TYR 526 N -0.90 1.86 -0.19 1.90 -0.85 -0.28 -4.17 117.35 114.72 1yaj s TYR 526 Ca 0.14 -0.87 -0.08 0.00 -0.52 0.00 0.00 57.07 55.74 1yaj s TYR 526 Cb -0.11 -1.14 -0.04 0.00 0.38 0.00 0.00 41.96 41.04 1yaj s TYR 526 CO 0.03 0.07 0.07 -1.17 -1.52 0.00 0.00 175.55 173.04 1yaj s LEU 527 N -3.43 3.86 -0.53 -3.49 2.96 -0.32 -0.29 118.68 117.44 1yaj s LEU 527 Ca 0.32 0.09 -0.18 0.00 -0.22 0.00 0.00 54.13 54.14 1yaj s LEU 527 Cb 0.07 -1.98 0.08 0.00 0.50 0.00 0.00 46.19 44.85 1yaj s LEU 527 CO 0.13 0.16 0.61 -1.10 -1.32 0.00 0.00 176.35 174.84 1yaj s GLN 528 N 0.43 3.08 0.03 1.98 -0.21 0.06 -0.70 119.66 124.32 1yaj s GLN 528 Ca 0.04 -1.11 -0.18 0.00 0.02 0.00 0.00 55.36 54.13 1yaj s GLN 528 Cb -0.12 -4.16 -0.06 0.00 1.00 0.00 0.00 33.01 29.67 1yaj s GLN 528 CO 0.00 -1.30 0.52 0.42 -2.12 0.00 0.00 175.29 172.81 1yaj s ILE 529 N 2.48 4.88 -4.65 1.08 1.01 -1.12 -1.65 121.20 123.23 1yaj s ILE 529 Ca 0.12 1.09 0.00 0.00 0.00 0.00 0.00 60.65 61.86 1yaj s ILE 529 Cb -0.22 -3.84 0.00 0.00 0.01 0.00 0.00 42.46 38.41 1yaj s ILE 529 CO 0.09 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.17 1yaj n GLY 530 N 1.96 -0.44 0.40 6.18 0.00 -1.26 -1.19 105.19 110.83 1yaj n GLY 530 Ca -0.11 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 1yaj n GLY 530 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj h ALA 531 N 0.00 -0.62 -3.14 4.61 0.00 -1.94 -3.33 119.26 114.84 1yaj h ALA 531 Ca 0.00 -0.03 -0.68 0.00 0.00 0.00 0.00 54.91 54.20 1yaj h ALA 531 Cb 0.00 0.74 -0.29 0.00 0.00 0.00 0.00 17.79 18.24 1yaj h ALA 531 CO 0.00 -0.93 -0.66 1.21 0.00 0.00 0.00 179.25 178.87 1yaj s ASN 532 N -4.83 4.91 -0.20 0.00 2.47 -1.26 -5.09 114.94 110.94 1yaj s ASN 532 Ca -0.16 -0.85 -0.13 0.00 0.42 0.00 0.00 52.86 52.15 1yaj s ASN 532 Cb 0.09 -1.81 -0.05 0.00 -1.45 0.00 0.00 41.25 38.03 1yaj s ASN 532 CO 0.64 -0.20 0.24 -0.89 -3.72 0.00 0.00 177.10 173.18 1yaj s THR 533 N 1.42 5.32 -0.02 -5.21 2.01 -1.25 -4.72 115.64 113.18 1yaj s THR 533 Ca 0.01 0.40 -0.29 0.00 0.31 0.00 0.00 61.69 62.12 1yaj s THR 533 Cb -0.17 -3.58 0.09 0.00 0.01 0.00 0.00 72.50 68.84 1yaj s THR 533 CO 0.00 0.35 0.78 0.00 -0.69 0.00 0.00 174.62 175.07 1yaj s GLN 534 N 0.82 0.95 0.56 4.92 -2.07 -0.66 -4.99 119.66 119.20 1yaj s GLN 534 Ca 0.13 -0.04 -0.17 0.00 -1.82 0.00 0.00 55.36 53.46 1yaj s GLN 534 Cb -0.13 0.44 -0.05 0.00 -1.09 0.00 0.00 33.01 32.18 1yaj s GLN 534 CO 0.04 -0.35 1.05 0.00 -1.32 0.00 0.00 175.29 174.71 1yaj s ALA 535 N -2.12 2.78 0.17 2.60 0.00 -1.26 -0.76 121.76 123.17 1yaj s ALA 535 Ca -0.03 0.45 -0.01 0.00 0.00 0.00 0.00 51.96 52.37 1yaj s ALA 535 Cb -0.01 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1yaj s ALA 535 CO -0.01 -0.66 0.24 0.00 0.00 0.00 0.00 175.76 175.32 1yaj n ALA 536 N -1.72 -0.19 -2.20 0.00 0.00 0.60 -4.87 120.51 112.13 1yaj n ALA 536 Ca 0.09 -0.76 -0.12 0.00 0.00 0.00 0.00 53.44 52.65 1yaj n ALA 536 Cb 0.53 0.61 -0.10 0.00 0.00 0.00 0.00 19.45 20.49 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 -2.36 1.13 -0.50 0.00 -0.21 -1.26 -1.13 119.66 115.32 1yaj s GLN 537 Ca 0.13 -1.57 -0.26 0.00 0.02 0.00 0.00 55.36 53.68 1yaj s GLN 537 Cb -0.01 0.17 0.04 0.00 1.00 0.00 0.00 33.01 34.21 1yaj s GLN 537 CO 0.10 -0.32 0.64 1.63 -2.12 0.00 0.00 175.29 175.22 1yaj n LYS 538 N -0.23 -2.00 -2.56 2.91 5.02 0.18 -4.87 118.16 116.61 1yaj n LYS 538 Ca -0.01 1.58 -0.43 0.00 -2.02 0.00 0.00 58.31 57.43 1yaj n LYS 538 Cb 0.65 -3.40 -0.02 0.00 -0.02 0.00 0.00 35.03 32.24 1yaj n LYS 538 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1yaj s LEU 539 N -2.86 4.18 0.00 -0.35 2.96 -1.26 -3.52 118.68 117.83 1yaj s LEU 539 Ca 0.28 1.57 0.00 0.00 -0.22 0.00 0.00 54.13 55.77 1yaj s LEU 539 Cb -0.04 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.10 1yaj s LEU 539 CO 0.84 -0.64 0.00 0.29 -1.32 0.00 0.00 176.35 175.52 1yaj n LYS 540 N 5.94 -1.61 -0.08 1.98 4.76 -1.26 -4.80 118.16 123.09 1yaj n LYS 540 Ca 0.12 0.20 -0.02 0.00 -2.87 0.00 0.00 58.31 55.74 1yaj n LYS 540 Cb 0.46 -3.58 -0.02 0.00 -1.84 0.00 0.00 35.03 30.06 1yaj n LYS 540 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1yaj n ASP 541 N 0.78 -0.20 -0.27 4.39 2.03 -1.23 0.65 116.55 122.71 1yaj n ASP 541 Ca 0.00 0.83 0.00 0.00 0.52 0.00 0.00 54.79 56.14 1yaj n ASP 541 Cb 0.20 -0.29 0.21 0.00 -0.72 0.00 0.00 41.12 40.52 1yaj n ASP 541 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1yaj h LYS 542 N 0.00 1.08 0.00 -0.67 3.64 -1.87 -1.77 116.57 116.99 1yaj h LYS 542 Ca 0.03 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1yaj h LYS 542 Cb 0.08 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1yaj h LYS 542 CO -0.17 0.72 -0.06 0.93 -2.27 0.00 0.00 179.45 178.59 1yaj h GLU 543 N 1.12 0.00 0.15 1.90 3.07 -0.16 -2.82 114.58 117.84 1yaj h GLU 543 Ca 0.31 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.16 1yaj h GLU 543 Cb -0.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.80 1yaj h GLU 543 CO -0.07 0.06 -0.07 0.28 -1.40 0.00 0.00 179.01 177.81 1yaj h VAL 544 N 0.00 0.21 -0.59 3.13 2.07 0.26 -3.32 116.25 118.01 1yaj h VAL 544 Ca -0.00 -0.97 0.07 0.00 0.82 0.00 0.00 66.70 66.63 1yaj h VAL 544 Cb 0.13 0.37 -0.08 0.00 -1.52 0.00 0.00 31.29 30.19 1yaj h VAL 544 CO 0.01 0.06 -0.28 0.00 0.02 0.00 0.00 177.57 177.38 1yaj n ALA 545 N -2.73 -0.20 -0.14 1.67 0.00 -1.02 0.51 120.51 118.60 1yaj n ALA 545 Ca -0.04 0.55 -0.04 0.00 0.00 0.00 0.00 53.44 53.91 1yaj n ALA 545 Cb 0.13 -0.19 0.02 0.00 0.00 0.00 0.00 19.45 19.42 1yaj n ALA 545 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1yaj h PHE 546 N 0.00 -0.38 -0.00 0.00 3.57 -1.63 -1.85 116.94 116.64 1yaj h PHE 546 Ca 0.16 0.05 -0.18 0.00 3.53 0.00 0.00 57.97 61.52 1yaj h PHE 546 Cb 0.30 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1yaj h PHE 546 CO -0.55 -0.25 -0.83 -1.49 -2.23 0.00 0.00 178.31 172.96 1yaj h TRP 547 N -0.06 0.23 0.00 0.41 4.06 -0.03 -2.00 115.95 118.56 1yaj h TRP 547 Ca 0.22 -0.12 0.00 0.00 2.06 0.00 0.00 58.89 61.05 1yaj h TRP 547 Cb 0.40 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.53 1yaj h TRP 547 CO -0.43 0.91 0.05 2.41 -3.56 0.00 0.00 178.44 177.82 1yaj n THR 548 N -3.67 1.69 -0.04 1.49 -1.04 0.11 -0.20 114.28 112.63 1yaj n THR 548 Ca -0.03 0.53 -0.07 0.00 -2.04 0.00 0.00 64.05 62.45 1yaj n THR 548 Cb 0.78 -1.53 -0.03 0.00 -1.82 0.00 0.00 70.33 67.72 1yaj n THR 548 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1yaj n ASN 549 N -1.56 1.66 -0.06 8.00 3.02 -1.08 -4.41 115.26 120.82 1yaj n ASN 549 Ca -0.00 0.04 -0.01 0.00 -0.03 0.00 0.00 54.58 54.58 1yaj n ASN 549 Cb 0.05 -0.18 0.26 0.00 -0.61 0.00 0.00 39.78 39.30 1yaj n ASN 549 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1yaj h LEU 550 N -0.17 0.62 0.00 3.41 5.85 -1.17 -1.36 115.31 122.48 1yaj h LEU 550 Ca -0.18 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1yaj h LEU 550 Cb 1.20 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1yaj h LEU 550 CO -0.08 0.63 0.00 0.49 -0.34 0.00 0.00 178.44 179.14 1yaj n PHE 551 N -4.30 0.00 0.26 1.25 0.99 0.72 -2.55 117.46 113.83 1yaj n PHE 551 Ca 0.03 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.56 1yaj n PHE 551 Cb 0.22 -0.08 0.13 0.00 -1.00 0.00 0.00 39.48 38.74 1yaj n PHE 551 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1yaj n ALA 552 N -1.08 2.38 -0.60 4.37 0.00 -0.52 -5.05 120.51 120.00 1yaj n ALA 552 Ca 0.20 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1yaj n ALA 552 Cb 0.14 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1yaj n ALA 552 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13