#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 6.70 0.09 6.43 1.04 -1.26 -5.02 113.70 121.69 1yaj s SER 22 Ca 0.00 0.85 -0.35 0.00 0.48 0.00 0.00 55.95 56.93 1yaj s SER 22 Cb 0.00 -2.34 -0.18 0.00 0.10 0.00 0.00 66.02 63.60 1yaj s SER 22 CO 0.00 -0.21 0.91 -2.65 0.98 0.00 0.00 173.24 172.28 1yaj n PRO 23 N 4.70 0.21 -2.10 4.02 -0.02 -1.26 -4.87 135.00 135.67 1yaj n PRO 23 Ca -0.03 0.07 -0.42 0.00 -2.02 0.00 0.00 63.50 61.11 1yaj n PRO 23 Cb 0.50 -1.42 -0.03 0.00 -0.02 0.00 0.00 33.50 32.54 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 -0.37 4.28 -0.14 0.52 0.02 -1.26 -4.92 135.00 133.13 1yaj s PRO 24 Ca 0.79 2.15 0.01 0.00 0.02 0.00 0.00 61.00 63.98 1yaj s PRO 24 Cb -1.09 -3.31 0.02 0.00 0.02 0.00 0.00 34.50 30.14 1yaj s PRO 24 CO 0.56 -0.53 -0.18 0.08 -0.33 0.00 0.00 177.00 176.61 1yaj s VAL 25 N 1.45 1.75 -0.06 3.83 1.01 -1.26 -1.55 120.40 125.57 1yaj s VAL 25 Ca 0.67 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.91 1yaj s VAL 25 Cb -0.38 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 1yaj s VAL 25 CO 0.30 0.49 -0.16 -0.69 0.00 0.00 0.00 175.10 175.04 1yaj s VAL 26 N 1.10 2.91 -0.39 2.92 1.01 -0.15 -4.95 120.40 122.86 1yaj s VAL 26 Ca -0.02 -0.77 -0.15 0.00 0.00 0.00 0.00 61.98 61.04 1yaj s VAL 26 Cb -0.14 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.10 1yaj s VAL 26 CO -0.06 0.58 0.35 -0.62 0.00 0.00 0.00 175.10 175.35 1yaj s ASP 27 N -0.49 6.14 0.43 3.32 -1.08 -1.26 -0.18 116.67 123.55 1yaj s ASP 27 Ca 0.06 -0.62 0.07 0.00 -0.52 0.00 0.00 52.55 51.54 1yaj s ASP 27 Cb -0.12 -2.18 0.07 0.00 -1.46 0.00 0.00 42.92 39.23 1yaj s ASP 27 CO 0.02 -0.44 0.58 0.35 0.52 0.00 0.00 175.17 176.20 1yaj n THR 28 N 5.26 0.00 -0.13 1.71 -2.24 -0.15 -4.86 114.28 113.87 1yaj n THR 28 Ca -0.10 -1.43 -0.10 0.00 -2.27 0.00 0.00 64.05 60.16 1yaj n THR 28 Cb 0.48 -0.62 0.04 0.00 -2.10 0.00 0.00 70.33 68.13 1yaj n THR 28 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1yaj h VAL 29 N 0.10 1.27 0.00 2.28 2.07 -1.95 -3.05 116.25 116.97 1yaj h VAL 29 Ca -0.20 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 65.97 1yaj h VAL 29 Cb 0.92 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1yaj h VAL 29 CO 0.29 0.46 -0.59 1.41 0.02 0.00 0.00 177.57 179.17 1yaj n HIS 30 N -4.11 0.25 0.00 1.57 8.25 -1.26 -5.03 115.22 114.89 1yaj n HIS 30 Ca 0.00 0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 1yaj n HIS 30 Cb 0.44 -0.44 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1yaj n HIS 30 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1yaj n GLY 31 N 1.42 0.27 3.72 -1.41 0.00 -1.15 -2.34 105.19 105.70 1yaj n GLY 31 Ca 0.04 -1.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 1yaj n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yaj s LYS 32 N -1.72 4.62 -0.01 1.61 1.02 -1.24 -0.97 119.74 123.05 1yaj s LYS 32 Ca 0.00 1.46 0.05 0.00 0.02 0.00 0.00 55.97 57.50 1yaj s LYS 32 Cb 0.00 -3.41 -0.03 0.00 -0.52 0.00 0.00 37.83 33.87 1yaj s LYS 32 CO 0.00 0.07 -0.14 0.08 -0.92 0.00 0.00 175.35 174.44 1yaj s VAL 33 N 0.48 3.05 -0.19 3.17 1.01 0.75 -0.97 120.40 127.70 1yaj s VAL 33 Ca 0.50 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.56 1yaj s VAL 33 Cb -0.23 -2.25 -0.00 0.00 0.00 0.00 0.00 36.38 33.90 1yaj s VAL 33 CO 0.29 0.47 -0.11 -0.22 0.00 0.00 0.00 175.10 175.53 1yaj s LEU 34 N -1.10 2.63 0.00 3.92 1.98 -0.90 -0.97 118.68 124.23 1yaj s LEU 34 Ca 0.14 -0.46 0.00 0.00 -2.89 0.00 0.00 54.13 50.91 1yaj s LEU 34 Cb -0.11 -1.64 0.00 0.00 0.66 0.00 0.00 46.19 45.11 1yaj s LEU 34 CO 0.03 0.02 0.00 0.61 -1.89 0.00 0.00 176.35 175.12 1yaj n GLY 35 N 4.53 3.04 3.27 7.98 0.00 -0.59 -1.31 105.19 122.10 1yaj n GLY 35 Ca -0.19 -1.85 -0.11 0.00 0.00 0.00 0.00 46.02 43.87 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 3.45 0.40 -0.13 1.61 -2.85 0.18 -4.41 119.74 118.00 1yaj s LYS 36 Ca 0.00 0.73 -0.29 0.00 -1.00 0.00 0.00 55.97 55.40 1yaj s LYS 36 Cb 0.00 0.03 -0.01 0.00 -2.06 0.00 0.00 37.83 35.78 1yaj s LYS 36 CO 0.00 -0.14 1.13 -0.06 0.10 0.00 0.00 175.35 176.38 1yaj s PHE 37 N 1.13 3.24 -0.03 1.78 2.99 -1.26 -1.64 117.98 124.18 1yaj s PHE 37 Ca -0.07 1.32 0.06 0.00 0.00 0.00 0.00 56.93 58.24 1yaj s PHE 37 Cb -0.07 -3.35 -0.01 0.00 0.00 0.00 0.00 43.02 39.59 1yaj s PHE 37 CO -0.10 -0.93 -0.20 0.08 -0.00 0.00 0.00 175.22 174.06 1yaj s VAL 38 N 2.63 1.65 -0.17 -0.44 1.01 -0.51 -4.95 120.40 119.61 1yaj s VAL 38 Ca 0.51 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 1yaj s VAL 38 Cb -0.20 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 1yaj s VAL 38 CO 0.16 0.47 -0.09 -0.44 0.00 0.00 0.00 175.10 175.20 1yaj s SER 39 N -0.25 4.18 -0.08 3.32 0.01 -1.26 -0.64 113.70 118.98 1yaj s SER 39 Ca 0.02 -0.35 -0.18 0.00 1.31 0.00 0.00 55.95 56.75 1yaj s SER 39 Cb -0.10 -1.68 -0.05 0.00 0.21 0.00 0.00 66.02 64.40 1yaj s SER 39 CO 0.01 0.08 0.48 -0.22 0.41 0.00 0.00 173.24 174.01 1yaj s LEU 40 N 0.86 4.33 -0.42 2.44 2.96 -1.26 -4.95 118.68 122.63 1yaj s LEU 40 Ca -0.02 0.89 -0.31 0.00 -0.22 0.00 0.00 54.13 54.47 1yaj s LEU 40 Cb -0.15 -2.71 -0.14 0.00 0.50 0.00 0.00 46.19 43.69 1yaj s LEU 40 CO 0.01 0.07 1.63 -1.84 -1.32 0.00 0.00 176.35 174.90 1yaj n GLU 41 N 3.23 0.00 0.00 1.98 0.28 -1.26 -0.95 120.64 123.91 1yaj n GLU 41 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.92 1yaj n GLU 41 Cb 0.52 -1.10 0.00 0.00 1.43 0.00 0.00 31.44 32.28 1yaj n GLU 41 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1yaj n GLY 42 N 5.39 3.11 3.69 -1.84 0.00 -1.26 -5.05 105.19 109.23 1yaj n GLY 42 Ca 0.42 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 1yaj n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1yaj s PHE 43 N -0.37 3.30 -0.30 1.61 0.40 -0.13 -4.89 117.98 117.60 1yaj s PHE 43 Ca 0.00 1.32 0.22 0.00 -0.60 0.00 0.00 56.93 57.87 1yaj s PHE 43 Cb 0.00 -3.36 0.40 0.00 0.51 0.00 0.00 43.02 40.57 1yaj s PHE 43 CO 0.00 -1.03 1.62 0.00 0.70 0.00 0.00 175.22 176.51 1yaj h ALA 44 N 7.31 0.93 -2.27 5.36 0.00 -1.97 -3.40 119.26 125.21 1yaj h ALA 44 Ca -0.34 -0.11 -0.57 0.00 0.00 0.00 0.00 54.91 53.89 1yaj h ALA 44 Cb 1.16 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1yaj h ALA 44 CO 0.87 0.15 0.55 -1.14 0.00 0.00 0.00 179.25 179.68 1yaj s GLN 45 N -3.22 4.37 0.20 0.00 2.00 -1.26 -5.02 119.66 116.73 1yaj s GLN 45 Ca 0.05 1.29 -0.27 0.00 -2.00 0.00 0.00 55.36 54.44 1yaj s GLN 45 Cb 0.06 -3.56 -0.08 0.00 0.80 0.00 0.00 33.01 30.23 1yaj s GLN 45 CO 0.67 -0.36 0.84 -1.25 -0.50 0.00 0.00 175.29 174.70 1yaj s PRO 46 N 2.19 4.68 -0.16 1.67 0.04 -1.26 -4.70 135.00 137.45 1yaj s PRO 46 Ca 0.45 1.28 -0.15 0.00 0.04 0.00 0.00 61.00 62.62 1yaj s PRO 46 Cb -0.17 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 1yaj s PRO 46 CO 0.15 0.55 0.36 0.08 0.04 0.00 0.00 177.00 178.18 1yaj s VAL 47 N -1.17 5.25 -0.14 -0.36 1.01 0.19 -4.80 120.40 120.39 1yaj s VAL 47 Ca 0.38 0.67 -0.28 0.00 0.00 0.00 0.00 61.98 62.75 1yaj s VAL 47 Cb -0.24 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 1yaj s VAL 47 CO 0.28 0.34 0.95 0.00 0.00 0.00 0.00 175.10 176.67 1yaj s ALA 48 N 0.75 3.47 -0.12 5.51 0.00 0.04 -1.43 121.76 129.98 1yaj s ALA 48 Ca 0.19 0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.42 1yaj s ALA 48 Cb -0.14 -3.38 -0.00 0.00 0.00 0.00 0.00 23.12 19.60 1yaj s ALA 48 CO 0.06 -0.67 -0.19 0.42 0.00 0.00 0.00 175.76 175.38 1yaj s ILE 49 N 2.18 2.44 -0.07 0.00 1.01 -0.65 -1.51 121.20 124.59 1yaj s ILE 49 Ca 0.45 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 60.25 1yaj s ILE 49 Cb -0.17 -1.98 0.01 0.00 0.01 0.00 0.00 42.46 40.33 1yaj s ILE 49 CO 0.15 0.54 -0.14 -0.36 0.00 0.00 0.00 174.94 175.13 1yaj s PHE 50 N 0.48 1.64 -0.21 3.97 0.40 -0.78 -0.64 117.98 122.83 1yaj s PHE 50 Ca -0.13 -0.64 0.01 0.00 -0.60 0.00 0.00 56.93 55.57 1yaj s PHE 50 Cb -0.17 -1.18 0.05 0.00 0.51 0.00 0.00 43.02 42.23 1yaj s PHE 50 CO 0.05 -0.32 -0.08 -0.51 0.70 0.00 0.00 175.22 175.06 1yaj s LEU 51 N 0.69 2.28 0.00 -0.37 1.43 -1.22 -0.35 118.68 121.14 1yaj s LEU 51 Ca -0.14 -0.95 0.00 0.00 -1.03 0.00 0.00 54.13 52.01 1yaj s LEU 51 Cb -0.16 -1.17 0.00 0.00 0.03 0.00 0.00 46.19 44.89 1yaj s LEU 51 CO 0.04 -0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.05 1yaj n GLY 52 N 4.71 1.07 3.60 -3.19 0.00 -1.12 -3.83 105.19 106.44 1yaj n GLY 52 Ca -0.13 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.22 4.61 0.08 -0.61 1.01 -0.74 -4.80 121.20 118.53 1yaj s ILE 53 Ca 0.00 1.11 -0.31 0.00 0.00 0.00 0.00 60.65 61.45 1yaj s ILE 53 Cb 0.00 -4.31 -0.09 0.00 0.01 0.00 0.00 42.46 38.07 1yaj s ILE 53 CO 0.00 -0.53 1.70 -2.16 0.00 0.00 0.00 174.94 173.95 1yaj s PRO 54 N 3.40 4.18 0.00 2.79 0.04 -1.26 -2.46 135.00 141.69 1yaj s PRO 54 Ca 0.37 2.39 0.21 0.00 0.04 0.00 0.00 61.00 64.01 1yaj s PRO 54 Cb -0.12 -3.62 -0.01 0.00 0.04 0.00 0.00 34.50 30.79 1yaj s PRO 54 CO 0.19 -0.77 1.04 1.97 0.04 0.00 0.00 177.00 179.47 1yaj n PHE 55 N 5.68 0.00 -3.69 0.56 1.16 -1.10 -4.90 117.46 115.17 1yaj n PHE 55 Ca 0.16 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.63 1yaj n PHE 55 Cb 0.40 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.21 1yaj n PHE 55 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1yaj s ALA 56 N -2.38 -0.82 1.08 1.98 0.00 -1.26 -4.10 121.76 116.26 1yaj s ALA 56 Ca 0.17 -0.01 -0.12 0.00 0.00 0.00 0.00 51.96 52.00 1yaj s ALA 56 Cb 0.17 0.51 0.22 0.00 0.00 0.00 0.00 23.12 24.03 1yaj s ALA 56 CO 0.55 -0.54 0.98 1.17 0.00 0.00 0.00 175.76 177.92 1yaj n LYS 57 N 0.13 -1.67 -2.46 0.00 4.81 0.21 -4.37 118.16 114.81 1yaj n LYS 57 Ca -0.17 -0.44 -0.42 0.00 -0.87 0.00 0.00 58.31 56.40 1yaj n LYS 57 Cb 0.62 -2.20 -0.03 0.00 0.02 0.00 0.00 35.03 33.44 1yaj n LYS 57 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1yaj s PRO 58 N -4.39 4.37 0.00 1.64 0.02 -1.26 -4.63 135.00 130.74 1yaj s PRO 58 Ca 0.67 1.68 -0.01 0.00 0.02 0.00 0.00 61.00 63.36 1yaj s PRO 58 Cb -0.24 -3.53 -0.05 0.00 0.02 0.00 0.00 34.50 30.70 1yaj s PRO 58 CO 0.63 -0.41 1.18 -0.35 -0.33 0.00 0.00 177.00 177.71 1yaj n PRO 59 N 5.01 0.54 -3.58 5.54 -0.04 -1.26 -4.84 135.00 136.37 1yaj n PRO 59 Ca 0.11 -0.18 -0.28 0.00 -0.04 0.00 0.00 63.50 63.10 1yaj n PRO 59 Cb 0.46 -1.51 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 1yaj n PRO 59 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1yaj s LEU 60 N 0.00 4.18 0.00 1.53 1.43 -1.26 -3.81 118.68 120.74 1yaj s LEU 60 Ca 0.12 0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 1yaj s LEU 60 Cb 0.06 -3.30 0.00 0.00 0.03 0.00 0.00 46.19 42.97 1yaj s LEU 60 CO 0.00 -0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.11 1yaj n GLY 61 N -0.65 3.35 0.25 -3.19 0.00 -1.26 -2.78 105.19 100.91 1yaj n GLY 61 Ca -0.03 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 45.99 1yaj n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yaj h PRO 62 N 0.00 0.00 0.00 1.61 0.13 -1.91 -3.04 132.00 128.78 1yaj h PRO 62 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1yaj h PRO 62 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1yaj h PRO 62 CO 0.00 0.13 0.00 1.28 -0.23 0.00 0.00 178.00 179.18 1yaj n LEU 63 N -3.29 0.00 -4.66 1.56 4.77 -1.12 -4.75 117.00 109.52 1yaj n LEU 63 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.56 1yaj n LEU 63 Cb 0.37 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 1yaj n LEU 63 CO 0.31 0.00 0.85 -0.60 -1.33 0.00 0.00 177.39 176.61 1yaj s ARG 64 N -2.00 4.26 0.00 3.23 3.52 -1.15 -3.19 118.95 123.62 1yaj s ARG 64 Ca 0.12 1.27 0.00 0.00 -0.13 0.00 0.00 55.73 56.99 1yaj s ARG 64 Cb 0.05 -3.63 0.00 0.00 -1.56 0.00 0.00 34.95 29.82 1yaj s ARG 64 CO 0.09 -0.57 0.00 1.19 -0.81 0.00 0.00 175.30 175.21 1yaj n PHE 65 N 6.09 0.00 -4.14 5.12 3.72 -1.26 -4.96 117.46 122.03 1yaj n PHE 65 Ca 0.10 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.39 1yaj n PHE 65 Cb 0.47 -0.68 -0.09 0.00 -0.94 0.00 0.00 39.48 38.23 1yaj n PHE 65 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1yaj s THR 66 N -2.25 0.04 0.39 4.37 -4.23 -1.19 -4.88 115.64 107.89 1yaj s THR 66 Ca 0.00 -1.86 -0.26 0.00 -1.18 0.00 0.00 61.69 58.39 1yaj s THR 66 Cb 0.00 -2.26 -0.09 0.00 1.34 0.00 0.00 72.50 71.49 1yaj s THR 66 CO 0.00 -0.18 1.27 -2.84 -0.54 0.00 0.00 174.62 172.33 1yaj s PRO 67 N -4.09 4.06 0.54 3.99 0.02 -1.26 -4.95 135.00 133.31 1yaj s PRO 67 Ca 0.31 2.09 -0.21 0.00 0.02 0.00 0.00 61.00 63.20 1yaj s PRO 67 Cb 0.06 -2.80 -0.05 0.00 0.02 0.00 0.00 34.50 31.73 1yaj s PRO 67 CO 0.07 -0.39 1.31 -1.25 -0.33 0.00 0.00 177.00 176.41 1yaj s PRO 68 N -2.16 3.19 0.15 5.54 0.04 -1.26 -5.01 135.00 135.49 1yaj s PRO 68 Ca 0.55 2.11 0.07 0.00 0.04 0.00 0.00 61.00 63.78 1yaj s PRO 68 Cb -0.37 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.91 1yaj s PRO 68 CO 0.47 -1.11 -0.04 -0.65 0.04 0.00 0.00 177.00 175.71 1yaj s GLN 69 N -2.94 2.29 -0.02 4.56 -0.21 -1.26 -5.00 119.66 117.08 1yaj s GLN 69 Ca 0.71 -1.09 -0.32 0.00 0.02 0.00 0.00 55.36 54.68 1yaj s GLN 69 Cb -0.37 -2.33 -0.11 0.00 1.00 0.00 0.00 33.01 31.20 1yaj s GLN 69 CO 0.44 0.47 1.92 -2.30 -2.12 0.00 0.00 175.29 173.70 1yaj n PRO 70 N 0.17 2.51 -1.42 2.91 -0.02 -1.26 0.67 135.00 138.56 1yaj n PRO 70 Ca -0.11 0.92 -0.37 0.00 -2.02 0.00 0.00 63.50 61.92 1yaj n PRO 70 Cb 0.54 -2.82 0.06 0.00 -0.02 0.00 0.00 33.50 31.26 1yaj n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yaj n ALA 71 N 6.97 -0.85 -1.85 3.55 0.00 -1.26 -4.18 120.51 122.89 1yaj n ALA 71 Ca 0.21 -0.11 -0.38 0.00 0.00 0.00 0.00 53.44 53.16 1yaj n ALA 71 Cb 0.35 -1.94 -0.06 0.00 0.00 0.00 0.00 19.45 17.80 1yaj n ALA 71 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1yaj s GLU 72 N -2.64 4.61 0.07 0.00 0.41 -1.26 -4.78 118.70 115.12 1yaj s GLU 72 Ca 0.70 1.28 -0.31 0.00 -0.41 0.00 0.00 54.97 56.23 1yaj s GLU 72 Cb -0.39 -3.03 -0.07 0.00 -1.78 0.00 0.00 34.13 28.86 1yaj s GLU 72 CO 0.53 0.42 1.35 -1.25 -0.49 0.00 0.00 175.26 175.82 1yaj s PRO 73 N -1.63 4.34 0.48 0.39 0.04 -1.26 -5.02 135.00 132.33 1yaj s PRO 73 Ca 0.44 1.98 -0.09 0.00 0.04 0.00 0.00 61.00 63.36 1yaj s PRO 73 Cb -0.21 -3.35 -0.05 0.00 0.04 0.00 0.00 34.50 30.92 1yaj s PRO 73 CO 0.26 -0.43 0.84 1.67 0.04 0.00 0.00 177.00 179.39 1yaj s TRP 74 N 1.42 3.53 0.00 0.56 -2.14 -0.99 -5.03 118.94 116.29 1yaj s TRP 74 Ca 0.63 1.05 0.00 0.00 2.66 0.00 0.00 56.10 60.44 1yaj s TRP 74 Cb -0.34 -2.48 0.00 0.00 -3.10 0.00 0.00 33.47 27.55 1yaj s TRP 74 CO 0.29 -0.30 0.10 0.43 -2.66 0.00 0.00 176.95 174.81 1yaj n SER 75 N -1.92 0.00 0.00 -2.66 7.64 -1.26 -4.64 113.62 110.78 1yaj n SER 75 Ca 0.03 0.49 0.00 0.00 1.01 0.00 0.00 58.87 60.40 1yaj n SER 75 Cb 0.54 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 1yaj n SER 75 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1yaj n PHE 76 N -1.81 0.00 -4.68 1.43 3.01 -1.26 -4.79 117.46 109.36 1yaj n PHE 76 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.14 1yaj n PHE 76 Cb 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.35 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 0.18 3.29 -0.33 -4.37 1.01 -1.26 -3.72 120.40 115.20 1yaj s VAL 77 Ca 0.00 -0.78 -0.07 0.00 0.00 0.00 0.00 61.98 61.13 1yaj s VAL 77 Cb 0.00 -2.36 0.03 0.00 0.00 0.00 0.00 36.38 34.05 1yaj s VAL 77 CO 0.00 0.49 0.11 -0.75 0.00 0.00 0.00 175.10 174.95 1yaj s LYS 78 N -1.08 2.76 -1.05 2.72 2.20 -0.15 -4.95 119.74 120.19 1yaj s LYS 78 Ca 0.14 -1.09 -0.26 0.00 -0.36 0.00 0.00 55.97 54.40 1yaj s LYS 78 Cb -0.11 -3.48 -0.19 0.00 -1.51 0.00 0.00 37.83 32.54 1yaj s LYS 78 CO 0.04 -0.62 2.13 -0.80 -0.36 0.00 0.00 175.35 175.74 1yaj s ASN 79 N 1.45 3.71 -0.91 1.43 0.01 -1.26 -2.13 114.94 117.24 1yaj s ASN 79 Ca -0.00 -0.91 -0.24 0.00 -0.71 0.00 0.00 52.86 51.00 1yaj s ASN 79 Cb -0.19 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 38.84 1yaj s ASN 79 CO 0.03 -4.41 1.91 0.00 -1.51 0.00 0.00 177.10 173.13 1yaj s ALA 80 N 15.89 1.73 0.00 0.60 0.00 -0.43 -4.46 121.76 135.10 1yaj s ALA 80 Ca 0.81 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1yaj s ALA 80 Cb -0.06 -4.55 0.00 0.00 0.00 0.00 0.00 23.12 18.51 1yaj s ALA 80 CO 0.16 -4.74 0.00 0.25 0.00 0.00 0.00 175.76 171.43 1yaj n THR 81 N 7.81 0.00 -2.74 0.00 -2.24 -1.25 -3.41 114.28 112.45 1yaj n THR 81 Ca 0.40 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.80 1yaj n THR 81 Cb 0.47 -0.92 -0.06 0.00 -2.10 0.00 0.00 70.33 67.73 1yaj n THR 81 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1yaj s SER 82 N -4.58 7.37 0.10 3.42 0.01 -1.26 -4.78 113.70 113.98 1yaj s SER 82 Ca 0.00 1.90 -0.31 0.00 1.31 0.00 0.00 55.95 58.85 1yaj s SER 82 Cb 0.00 -2.59 -0.08 0.00 0.21 0.00 0.00 66.02 63.56 1yaj s SER 82 CO 0.00 -0.05 1.50 -0.31 0.41 0.00 0.00 173.24 174.80 1yaj s TYR 83 N -1.49 2.94 0.85 2.43 2.02 -1.26 -4.51 117.35 118.33 1yaj s TYR 83 Ca 0.48 0.69 -0.12 0.00 -0.37 0.00 0.00 57.07 57.75 1yaj s TYR 83 Cb -0.21 -3.81 0.09 0.00 -0.40 0.00 0.00 41.96 37.62 1yaj s TYR 83 CO 0.27 -3.03 1.06 -0.35 -1.57 0.00 0.00 175.55 171.92 1yaj n PRO 84 N 4.55 -0.06 -1.52 -1.71 -0.04 -1.26 -4.94 135.00 130.02 1yaj n PRO 84 Ca 0.13 0.06 -0.31 0.00 -0.04 0.00 0.00 63.50 63.34 1yaj n PRO 84 Cb 0.41 -2.32 0.06 0.00 -0.04 0.00 0.00 33.50 31.61 1yaj n PRO 84 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 1yaj s PRO 85 N -4.13 2.76 -0.11 0.54 0.02 -1.26 -4.82 135.00 128.00 1yaj s PRO 85 Ca 0.69 1.04 -0.05 0.00 0.02 0.00 0.00 61.00 62.70 1yaj s PRO 85 Cb -0.27 -1.97 -0.04 0.00 0.02 0.00 0.00 34.50 32.25 1yaj s PRO 85 CO 0.55 -1.24 0.10 0.00 -0.33 0.00 0.00 177.00 176.08 1yaj s MET 86 N -4.92 3.33 0.48 5.54 0.23 -0.08 -4.71 119.30 119.17 1yaj s MET 86 Ca 0.59 -0.22 -0.20 0.00 -1.03 0.00 0.00 55.69 54.83 1yaj s MET 86 Cb -0.15 -3.07 -0.12 0.00 -1.53 0.00 0.00 34.83 29.96 1yaj s MET 86 CO 0.54 0.74 0.42 0.00 -2.03 0.00 0.00 175.02 174.69 1yaj n THR 88 N -1.21 2.15 -3.63 0.00 -1.04 -1.25 -4.67 114.28 104.62 1yaj n THR 88 Ca 0.11 -0.50 -0.03 0.00 -2.04 0.00 0.00 64.05 61.59 1yaj n THR 88 Cb 0.43 -1.13 -0.01 0.00 -1.82 0.00 0.00 70.33 67.80 1yaj n THR 88 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1yaj s GLN 89 N -1.78 0.66 -0.30 -2.82 -2.07 -1.26 -4.73 119.66 107.36 1yaj s GLN 89 Ca 0.60 -0.33 -0.33 0.00 -1.82 0.00 0.00 55.36 53.48 1yaj s GLN 89 Cb -0.62 0.25 -0.09 0.00 -1.09 0.00 0.00 33.01 31.46 1yaj s GLN 89 CO 0.59 -0.30 2.20 -3.47 -1.32 0.00 0.00 175.29 172.99 1yaj n ASP 90 N -0.36 2.52 -0.12 12.60 -0.08 -1.26 -4.83 116.55 125.02 1yaj n ASP 90 Ca -0.06 0.35 0.10 0.00 -1.51 0.00 0.00 54.79 53.67 1yaj n ASP 90 Cb 0.61 -1.36 0.45 0.00 2.34 0.00 0.00 41.12 43.16 1yaj n ASP 90 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1yaj h PRO 91 N 13.22 0.52 0.67 -0.67 0.13 -1.98 0.22 132.00 144.12 1yaj h PRO 91 Ca -0.32 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.75 1yaj h PRO 91 Cb 1.29 -0.12 0.01 0.00 0.13 0.00 0.00 31.00 32.31 1yaj h PRO 91 CO 1.00 0.34 -0.32 -0.22 -0.23 0.00 0.00 178.00 178.57 1yaj h LYS 92 N 0.54 -0.87 0.00 0.86 3.64 -1.99 -0.72 116.57 118.02 1yaj h LYS 92 Ca 0.30 0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.70 1yaj h LYS 92 Cb 0.45 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1yaj h LYS 92 CO -0.09 -0.58 -0.18 0.00 -2.27 0.00 0.00 179.45 176.33 1yaj h ALA 93 N -1.44 1.29 -0.09 5.00 0.00 -1.95 -0.48 119.26 121.59 1yaj h ALA 93 Ca -0.09 -0.16 -0.21 0.00 0.00 0.00 0.00 54.91 54.45 1yaj h ALA 93 Cb 0.69 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1yaj h ALA 93 CO 0.15 0.22 -0.75 0.78 0.00 0.00 0.00 179.25 179.65 1yaj h GLY 94 N 1.05 0.74 1.09 0.00 0.00 -0.49 -1.70 103.07 103.76 1yaj h GLY 94 Ca -0.00 -1.12 -0.17 0.00 0.00 0.00 0.00 47.33 46.03 1yaj h GLY 94 CO 0.02 1.00 -0.49 -1.61 0.00 0.00 0.00 176.54 175.46 1yaj h GLN 95 N 0.34 0.82 -0.81 4.80 4.15 -0.84 -2.71 115.11 120.86 1yaj h GLN 95 Ca -0.07 -0.51 0.13 0.00 0.77 0.00 0.00 58.65 58.97 1yaj h GLN 95 Cb 1.40 0.06 -0.06 0.00 0.21 0.00 0.00 27.48 29.09 1yaj h GLN 95 CO 0.15 1.14 0.53 1.25 -1.93 0.00 0.00 178.83 179.98 1yaj h LEU 96 N 0.58 0.54 0.00 -2.39 5.85 -0.98 -1.01 115.31 117.91 1yaj h LEU 96 Ca 0.02 0.03 -0.20 0.00 0.84 0.00 0.00 57.88 58.57 1yaj h LEU 96 Cb 1.10 -0.08 0.02 0.00 0.37 0.00 0.00 40.66 42.06 1yaj h LEU 96 CO 0.11 0.29 -0.77 0.25 -0.34 0.00 0.00 178.44 177.98 1yaj h LEU 97 N 0.58 0.68 -2.34 2.25 5.85 -1.23 -2.82 115.31 118.28 1yaj h LEU 97 Ca 0.39 -0.75 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1yaj h LEU 97 Cb 0.71 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 1yaj h LEU 97 CO -0.15 1.34 0.01 -1.28 -0.34 0.00 0.00 178.44 178.02 1yaj h SER 98 N 0.08 0.00 0.49 1.25 0.87 -1.03 -2.39 113.55 112.82 1yaj h SER 98 Ca -0.10 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.16 1yaj h SER 98 Cb 1.46 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.42 1yaj h SER 98 CO 0.15 0.00 -1.46 -0.33 -0.53 0.00 0.00 176.83 174.66 1yaj h GLU 99 N 0.00 0.27 0.00 2.24 5.08 -1.14 -2.49 114.58 118.55 1yaj h GLU 99 Ca 0.00 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1yaj h GLU 99 Cb 0.02 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1yaj h GLU 99 CO -0.00 1.16 0.00 1.28 -1.00 0.00 0.00 179.01 180.45 1yaj n LEU 100 N -3.49 0.56 -0.02 1.33 4.77 -0.96 -3.88 117.00 115.30 1yaj n LEU 100 Ca -0.14 0.57 0.01 0.00 -0.03 0.00 0.00 56.01 56.41 1yaj n LEU 100 Cb 1.04 -0.41 -0.07 0.00 -2.33 0.00 0.00 43.42 41.65 1yaj n LEU 100 CO 0.52 -0.21 -0.69 0.49 -1.33 0.00 0.00 177.39 176.17 1yaj n PHE 101 N -2.04 0.00 -1.59 -1.77 3.01 -0.94 -4.95 117.46 109.18 1yaj n PHE 101 Ca 0.05 0.00 -0.56 0.00 1.01 0.00 0.00 57.45 57.96 1yaj n PHE 101 Cb 0.36 -0.31 -0.07 0.00 -0.01 0.00 0.00 39.48 39.45 1yaj n PHE 101 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1yaj n THR 102 N -2.05 0.04 0.97 4.37 5.66 -0.94 -4.85 114.28 117.49 1yaj n THR 102 Ca -0.07 -0.01 0.11 0.00 -3.05 0.00 0.00 64.05 61.03 1yaj n THR 102 Cb 0.48 -0.64 0.01 0.00 -1.55 0.00 0.00 70.33 68.63 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 2.75 2.12 -4.58 1.09 6.94 -1.26 -4.97 115.26 117.35 1yaj n ASN 103 Ca 0.21 -1.56 -0.26 0.00 -0.02 0.00 0.00 54.58 52.95 1yaj n ASN 103 Cb 0.14 0.42 0.12 0.00 -2.36 0.00 0.00 39.78 38.09 1yaj n ASN 103 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1yaj s ARG 104 N -2.36 1.51 0.00 -3.83 1.70 -1.26 -4.16 118.95 110.55 1yaj s ARG 104 Ca 0.19 -0.75 0.00 0.00 -0.47 0.00 0.00 55.73 54.70 1yaj s ARG 104 Cb 0.18 -2.17 0.00 0.00 -0.57 0.00 0.00 34.95 32.39 1yaj s ARG 104 CO 0.52 -1.66 0.00 0.36 -1.08 0.00 0.00 175.30 173.45 1yaj n LYS 105 N -3.09 0.00 -2.76 3.89 2.85 -1.26 -4.69 118.16 113.10 1yaj n LYS 105 Ca 0.14 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.99 1yaj n LYS 105 Cb 0.60 -0.28 -0.06 0.00 -0.65 0.00 0.00 35.03 34.64 1yaj n LYS 105 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 1yaj s GLU 106 N 0.00 4.82 0.81 -1.58 -1.05 -1.26 -4.98 118.70 115.46 1yaj s GLU 106 Ca 0.00 1.47 -0.14 0.00 -0.15 0.00 0.00 54.97 56.15 1yaj s GLU 106 Cb 0.00 -3.30 0.03 0.00 -0.44 0.00 0.00 34.13 30.42 1yaj s GLU 106 CO 0.00 0.47 0.79 -1.71 0.95 0.00 0.00 175.26 175.76 1yaj n ASN 107 N 1.73 -0.43 -4.05 0.83 4.05 -1.26 -4.98 115.26 111.14 1yaj n ASN 107 Ca -0.01 0.53 -0.32 0.00 0.45 0.00 0.00 54.58 55.22 1yaj n ASN 107 Cb 0.47 -1.34 -0.14 0.00 1.23 0.00 0.00 39.78 40.00 1yaj n ASN 107 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1yaj s ILE 108 N -2.11 2.50 0.34 -1.44 -1.09 -1.26 -5.09 121.20 113.05 1yaj s ILE 108 Ca 0.67 -2.17 -0.28 0.00 -2.23 0.00 0.00 60.65 56.64 1yaj s ILE 108 Cb -0.29 -2.76 -0.10 0.00 -1.58 0.00 0.00 42.46 37.73 1yaj s ILE 108 CO 0.57 -0.53 1.27 -2.16 -1.23 0.00 0.00 174.94 172.85 1yaj s PRO 109 N 0.99 4.33 0.29 2.79 0.04 -1.26 -5.01 135.00 137.16 1yaj s PRO 109 Ca 0.08 2.12 0.03 0.00 0.04 0.00 0.00 61.00 63.26 1yaj s PRO 109 Cb -0.20 -3.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.28 1yaj s PRO 109 CO -0.07 -0.18 0.14 -0.51 0.04 0.00 0.00 177.00 176.43 1yaj s LEU 110 N -1.88 1.66 0.33 -3.56 1.43 -1.26 -5.10 118.68 110.30 1yaj s LEU 110 Ca 0.50 -1.51 0.08 0.00 -1.03 0.00 0.00 54.13 52.17 1yaj s LEU 110 Cb -0.38 0.15 -0.03 0.00 0.03 0.00 0.00 46.19 45.96 1yaj s LEU 110 CO 0.50 -0.85 0.23 -0.54 0.23 0.00 0.00 176.35 175.92 1yaj s LYS 111 N -3.88 2.62 0.27 1.70 3.01 -1.26 -4.99 119.74 117.20 1yaj s LYS 111 Ca 0.36 -1.36 0.09 0.00 -1.01 0.00 0.00 55.97 54.05 1yaj s LYS 111 Cb 0.06 -2.38 -0.04 0.00 -1.01 0.00 0.00 37.83 34.46 1yaj s LYS 111 CO 0.16 0.13 0.07 -0.51 0.51 0.00 0.00 175.35 175.71 1yaj s LEU 112 N -3.93 3.38 0.00 3.17 1.43 -1.26 -0.90 118.68 120.58 1yaj s LEU 112 Ca 0.39 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1yaj s LEU 112 Cb -0.05 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.26 1yaj s LEU 112 CO 0.25 -0.03 0.00 -0.24 0.23 0.00 0.00 176.35 176.56 1yaj n SER 113 N -1.00 0.00 0.02 2.29 2.88 -1.09 -4.85 113.62 111.88 1yaj n SER 113 Ca -0.07 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 57.68 1yaj n SER 113 Cb 0.59 0.00 0.71 0.00 -0.75 0.00 0.00 64.21 64.75 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 -5.92 -1.46 5.08 -1.95 -3.31 114.58 107.03 1yaj h GLU 114 Ca 0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 1yaj h GLU 114 Cb 0.00 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.14 1yaj h GLU 114 CO 0.00 0.00 0.98 0.34 -1.00 0.00 0.00 179.01 179.33 1yaj s ASP 115 N -6.08 6.28 0.00 1.42 2.15 -1.26 -4.45 116.67 114.72 1yaj s ASP 115 Ca -0.05 -0.95 0.00 0.00 0.43 0.00 0.00 52.55 51.98 1yaj s ASP 115 Cb 0.19 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.30 1yaj s ASP 115 CO 0.70 -1.59 0.59 0.00 -0.17 0.00 0.00 175.17 174.71 1yaj n LEU 117 N 0.00 6.61 -4.27 0.00 4.77 -1.26 -4.63 117.00 118.21 1yaj n LEU 117 Ca 0.00 -4.29 -0.21 0.00 -0.03 0.00 0.00 56.01 51.47 1yaj n LEU 117 Cb 0.57 -1.61 -0.12 0.00 -2.33 0.00 0.00 43.42 39.93 1yaj n LEU 117 CO 0.00 1.11 -0.49 -0.31 -1.33 0.00 0.00 177.39 176.37 1yaj s TYR 118 N 2.35 1.63 0.09 -1.77 1.51 -1.26 -2.71 117.35 117.19 1yaj s TYR 118 Ca 0.45 -0.46 0.06 0.00 -1.01 0.00 0.00 57.07 56.11 1yaj s TYR 118 Cb 0.11 -0.87 -0.03 0.00 -0.11 0.00 0.00 41.96 41.06 1yaj s TYR 118 CO -0.05 0.20 -0.16 -0.48 -1.11 0.00 0.00 175.55 173.95 1yaj s LEU 119 N -2.13 2.31 -0.07 -1.29 0.05 -1.03 -3.01 118.68 113.52 1yaj s LEU 119 Ca 0.07 -0.68 -0.01 0.00 0.05 0.00 0.00 54.13 53.56 1yaj s LEU 119 Cb -0.08 -0.60 -0.03 0.00 -2.05 0.00 0.00 46.19 43.42 1yaj s LEU 119 CO 0.04 -0.07 0.00 0.20 -0.55 0.00 0.00 176.35 175.98 1yaj s ASN 120 N -1.96 5.20 -0.02 1.48 0.01 0.14 -1.79 114.94 118.00 1yaj s ASN 120 Ca 0.03 0.11 0.07 0.00 -0.71 0.00 0.00 52.86 52.35 1yaj s ASN 120 Cb -0.09 -1.43 -0.02 0.00 0.41 0.00 0.00 41.25 40.12 1yaj s ASN 120 CO 0.03 0.36 -0.23 -0.63 -1.51 0.00 0.00 177.10 175.12 1yaj s ILE 121 N -0.93 2.36 -0.23 0.60 1.01 0.53 -0.54 121.20 124.01 1yaj s ILE 121 Ca 0.15 -1.03 -0.00 0.00 0.00 0.00 0.00 60.65 59.76 1yaj s ILE 121 Cb -0.11 -1.87 0.06 0.00 0.01 0.00 0.00 42.46 40.55 1yaj s ILE 121 CO 0.04 0.55 -0.03 -0.31 0.00 0.00 0.00 174.94 175.19 1yaj s TYR 122 N -0.67 2.09 -0.09 3.97 1.51 0.27 -1.87 117.35 122.56 1yaj s TYR 122 Ca 0.11 -1.56 0.01 0.00 -1.01 0.00 0.00 57.07 54.62 1yaj s TYR 122 Cb -0.10 -1.46 0.02 0.00 -0.11 0.00 0.00 41.96 40.31 1yaj s TYR 122 CO -0.00 -0.74 -0.12 -0.08 -1.11 0.00 0.00 175.55 173.50 1yaj s THR 123 N 1.50 1.23 -2.28 -0.71 -1.32 -0.57 0.07 115.64 113.56 1yaj s THR 123 Ca -0.05 -0.49 0.20 0.00 -1.21 0.00 0.00 61.69 60.15 1yaj s THR 123 Cb -0.18 -1.15 0.43 0.00 -1.51 0.00 0.00 72.50 70.09 1yaj s THR 123 CO -0.07 0.39 1.47 -0.81 -2.21 0.00 0.00 174.62 173.39 1yaj n PRO 124 N 4.20 1.98 -0.99 7.08 -0.04 -1.26 -0.78 135.00 145.20 1yaj n PRO 124 Ca -0.19 -1.48 -0.31 0.00 -0.04 0.00 0.00 63.50 61.47 1yaj n PRO 124 Cb 0.51 -1.42 0.13 0.00 -0.04 0.00 0.00 33.50 32.69 1yaj n PRO 124 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1yaj s ALA 125 N -1.65 1.82 -1.14 0.55 0.00 -1.26 -4.88 121.76 115.20 1yaj s ALA 125 Ca 0.33 0.52 -0.09 0.00 0.00 0.00 0.00 51.96 52.72 1yaj s ALA 125 Cb 0.18 -3.39 0.26 0.00 0.00 0.00 0.00 23.12 20.17 1yaj s ALA 125 CO 0.26 -2.31 1.23 -3.47 0.00 0.00 0.00 175.76 171.48 1yaj n ASP 126 N -3.79 5.55 -0.14 0.00 2.03 -1.26 -4.79 116.55 114.15 1yaj n ASP 126 Ca 0.11 -3.07 0.20 0.00 0.52 0.00 0.00 54.79 52.55 1yaj n ASP 126 Cb 0.52 -1.41 0.30 0.00 -0.72 0.00 0.00 41.12 39.82 1yaj n ASP 126 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1yaj n LEU 127 N 3.11 0.00 0.25 -2.67 4.77 -1.26 -0.69 117.00 120.52 1yaj n LEU 127 Ca 0.27 0.56 0.10 0.00 -0.03 0.00 0.00 56.01 56.92 1yaj n LEU 127 Cb 0.39 -0.18 0.67 0.00 -2.33 0.00 0.00 43.42 41.97 1yaj n LEU 127 CO 0.53 -0.56 0.97 0.71 -1.33 0.00 0.00 177.39 177.71 1yaj h THR 128 N 0.00 0.76 -2.28 -5.08 1.35 -2.00 -3.44 112.91 102.22 1yaj h THR 128 Ca 0.35 -0.48 -0.58 0.00 -0.55 0.00 0.00 66.41 65.15 1yaj h THR 128 Cb 2.18 1.29 -0.14 0.00 -1.73 0.00 0.00 68.15 69.75 1yaj h THR 128 CO -0.00 0.12 -0.73 -0.54 -0.25 0.00 0.00 175.52 174.12 1yaj s LYS 129 N -4.42 1.65 0.06 4.72 1.02 0.14 -5.10 119.74 117.80 1yaj s LYS 129 Ca -0.04 -1.79 -0.31 0.00 0.02 0.00 0.00 55.97 53.86 1yaj s LYS 129 Cb 0.14 -1.60 -0.08 0.00 -0.52 0.00 0.00 37.83 35.77 1yaj s LYS 129 CO 0.62 0.23 1.68 0.21 -0.92 0.00 0.00 175.35 177.18 1yaj s LYS 130 N -3.57 4.19 -0.04 1.68 2.20 -1.26 -4.78 119.74 118.15 1yaj s LYS 130 Ca 0.29 2.35 0.01 0.00 -0.36 0.00 0.00 55.97 58.27 1yaj s LYS 130 Cb -0.02 -3.68 0.02 0.00 -1.51 0.00 0.00 37.83 32.64 1yaj s LYS 130 CO 0.14 -0.77 -0.05 -0.80 -0.36 0.00 0.00 175.35 173.51 1yaj s ASN 131 N 2.67 0.90 -0.57 1.43 0.01 -1.26 -5.05 114.94 113.07 1yaj s ASN 131 Ca 0.75 -0.13 0.03 0.00 -0.71 0.00 0.00 52.86 52.81 1yaj s ASN 131 Cb -0.40 -0.40 0.39 0.00 0.41 0.00 0.00 41.25 41.26 1yaj s ASN 131 CO 0.33 -0.03 1.36 0.54 -1.51 0.00 0.00 177.10 177.78 1yaj n ARG 132 N 3.87 3.30 -1.98 -0.60 3.00 -1.16 -3.40 116.66 119.69 1yaj n ARG 132 Ca -0.24 -4.28 -0.38 0.00 -0.01 0.00 0.00 57.85 52.94 1yaj n ARG 132 Cb 0.52 -2.26 0.02 0.00 0.00 0.00 0.00 32.46 30.73 1yaj n ARG 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1yaj s LEU 133 N -3.70 3.94 0.69 0.55 1.43 0.29 -4.01 118.68 117.87 1yaj s LEU 133 Ca 0.49 2.59 -0.16 0.00 -1.03 0.00 0.00 54.13 56.02 1yaj s LEU 133 Cb 0.40 -4.24 0.02 0.00 0.03 0.00 0.00 46.19 42.40 1yaj s LEU 133 CO -0.24 -1.28 1.19 -2.16 0.23 0.00 0.00 176.35 174.09 1yaj s PRO 134 N -2.78 2.40 -0.05 1.29 0.04 -1.26 -0.53 135.00 134.11 1yaj s PRO 134 Ca 0.68 1.71 0.05 0.00 0.04 0.00 0.00 61.00 63.47 1yaj s PRO 134 Cb -0.36 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 1yaj s PRO 134 CO 0.43 -1.62 -0.21 0.08 0.04 0.00 0.00 177.00 175.72 1yaj s VAL 135 N -1.98 2.43 -0.24 -0.36 1.01 -1.08 -0.50 120.40 119.68 1yaj s VAL 135 Ca 0.74 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.80 1yaj s VAL 135 Cb -0.28 -1.91 0.05 0.00 0.00 0.00 0.00 36.38 34.25 1yaj s VAL 135 CO 0.42 0.57 -0.13 -0.04 0.00 0.00 0.00 175.10 175.93 1yaj s MET 136 N -0.38 2.41 -0.31 2.72 -1.94 0.36 -0.24 119.30 121.92 1yaj s MET 136 Ca 0.03 -1.22 -0.19 0.00 -1.71 0.00 0.00 55.69 52.60 1yaj s MET 136 Cb -0.12 -2.81 -0.01 0.00 2.01 0.00 0.00 34.83 33.90 1yaj s MET 136 CO 0.02 -0.48 0.57 0.08 -0.01 0.00 0.00 175.02 175.19 1yaj s VAL 137 N 1.15 4.98 -0.24 -6.03 1.01 0.11 -1.22 120.40 120.16 1yaj s VAL 137 Ca -0.06 0.69 -0.12 0.00 0.00 0.00 0.00 61.98 62.49 1yaj s VAL 137 Cb -0.18 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 1yaj s VAL 137 CO -0.07 -0.13 0.23 0.86 0.00 0.00 0.00 175.10 176.00 1yaj s TRP 138 N 2.49 3.31 -0.40 5.22 -0.11 0.83 -1.33 118.94 128.95 1yaj s TRP 138 Ca 0.22 0.31 -0.10 0.00 1.22 0.00 0.00 56.10 57.76 1yaj s TRP 138 Cb -0.15 -2.37 0.05 0.00 -1.50 0.00 0.00 33.47 29.51 1yaj s TRP 138 CO 0.12 -0.00 0.24 0.42 -4.62 0.00 0.00 176.95 173.10 1yaj s ILE 139 N 1.28 4.42 0.25 5.86 1.01 -0.56 -2.54 121.20 130.92 1yaj s ILE 139 Ca 0.11 -1.13 -0.04 0.00 0.00 0.00 0.00 60.65 59.58 1yaj s ILE 139 Cb -0.14 -3.59 0.06 0.00 0.01 0.00 0.00 42.46 38.81 1yaj s ILE 139 CO 0.06 -0.38 0.14 0.00 0.00 0.00 0.00 174.94 174.77 1yaj n HIS 140 N 4.97 -2.29 -3.42 3.97 1.44 -1.26 -3.63 115.22 115.00 1yaj n HIS 140 Ca -0.11 -0.14 -0.04 0.00 -2.01 0.00 0.00 57.72 55.42 1yaj n HIS 140 Cb 0.44 -0.21 0.01 0.00 0.12 0.00 0.00 29.99 30.35 1yaj n HIS 140 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1yaj n GLY 141 N -0.96 1.89 0.00 -1.39 0.00 -1.26 -3.08 105.19 100.39 1yaj n GLY 141 Ca 0.02 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1yaj n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yaj n GLY 142 N -0.21 0.00 2.09 -0.02 0.00 -1.26 -4.39 105.19 101.40 1yaj n GLY 142 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 1yaj n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yaj n GLY 143 N 0.00 0.48 2.30 -0.02 0.00 -1.26 -3.27 105.19 103.43 1yaj n GLY 143 Ca 0.00 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.56 1yaj n GLY 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1yaj n LEU 144 N -0.09 -0.97 0.00 0.99 4.77 -1.26 -4.85 117.00 115.58 1yaj n LEU 144 Ca -0.01 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1yaj n LEU 144 Cb 0.06 -1.78 0.00 0.00 -2.33 0.00 0.00 43.42 39.37 1yaj n LEU 144 CO 0.01 -0.48 -0.46 0.23 -1.33 0.00 0.00 177.39 175.36 1yaj n MET 145 N -2.54 2.93 -3.79 3.23 2.81 -1.20 -1.15 117.12 117.41 1yaj n MET 145 Ca -0.12 0.00 -0.16 0.00 -1.81 0.00 0.00 57.70 55.61 1yaj n MET 145 Cb 0.42 -0.96 -0.06 0.00 -0.71 0.00 0.00 33.22 31.91 1yaj n MET 145 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 1yaj n VAL 146 N -1.99 0.00 0.00 2.03 0.24 -1.24 -4.40 118.33 112.97 1yaj n VAL 146 Ca 0.00 -1.94 0.00 0.00 -2.04 0.00 0.00 64.34 60.36 1yaj n VAL 146 Cb 0.46 0.94 0.00 0.00 -1.47 0.00 0.00 33.84 33.77 1yaj n VAL 146 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1yaj n GLY 147 N -0.47 2.69 3.07 7.63 0.00 -1.26 -4.33 105.19 112.51 1yaj n GLY 147 Ca 0.05 -1.62 -0.16 0.00 0.00 0.00 0.00 46.02 44.29 1yaj n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj s ALA 148 N -1.33 0.76 0.15 4.61 0.00 -1.26 -4.69 121.76 120.00 1yaj s ALA 148 Ca 0.00 -0.67 0.22 0.00 0.00 0.00 0.00 51.96 51.51 1yaj s ALA 148 Cb 0.00 -0.07 0.85 0.00 0.00 0.00 0.00 23.12 23.90 1yaj s ALA 148 CO 0.00 0.09 1.80 0.00 0.00 0.00 0.00 175.76 177.65 1yaj h ALA 149 N 4.96 1.02 0.00 0.00 0.00 -1.93 -2.87 119.26 120.45 1yaj h ALA 149 Ca -0.35 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1yaj h ALA 149 Cb 1.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1yaj h ALA 149 CO 0.44 0.34 0.00 0.43 0.00 0.00 0.00 179.25 180.45 1yaj n SER 150 N -3.44 0.00 -0.02 0.00 7.64 -1.26 -2.72 113.62 113.82 1yaj n SER 150 Ca -0.00 0.17 -0.08 0.00 1.01 0.00 0.00 58.87 59.97 1yaj n SER 150 Cb 0.45 -0.35 0.09 0.00 -1.01 0.00 0.00 64.21 63.39 1yaj n SER 150 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1yaj h THR 151 N 0.00 1.30 -3.59 0.44 2.02 -1.88 -3.42 112.91 107.78 1yaj h THR 151 Ca 0.00 -1.58 -0.62 0.00 0.77 0.00 0.00 66.41 64.99 1yaj h THR 151 Cb 0.22 1.54 -0.13 0.00 -1.74 0.00 0.00 68.15 68.04 1yaj h THR 151 CO 0.00 0.50 -0.08 -0.31 0.37 0.00 0.00 175.52 176.00 1yaj s TYR 152 N -4.25 3.28 -0.12 3.16 1.51 -1.10 -4.01 117.35 115.82 1yaj s TYR 152 Ca -0.08 0.60 -0.18 0.00 -1.01 0.00 0.00 57.07 56.40 1yaj s TYR 152 Cb 0.12 -2.67 -0.04 0.00 -0.11 0.00 0.00 41.96 39.26 1yaj s TYR 152 CO 0.83 -0.23 0.48 0.34 -1.11 0.00 0.00 175.55 175.86 1yaj s ASP 153 N 1.48 6.69 0.00 2.29 3.68 -1.26 -4.95 116.67 124.59 1yaj s ASP 153 Ca 0.20 0.82 0.24 0.00 2.13 0.00 0.00 52.55 55.94 1yaj s ASP 153 Cb -0.16 -2.29 0.29 0.00 -1.45 0.00 0.00 42.92 39.32 1yaj s ASP 153 CO 0.09 0.01 1.32 0.61 0.13 0.00 0.00 175.17 177.33 1yaj n GLY 154 N 3.24 1.06 0.44 2.66 0.00 -1.26 -4.62 105.19 106.70 1yaj n GLY 154 Ca -0.07 -0.68 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 1yaj n GLY 154 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1yaj h LEU 155 N 4.50 -1.74 0.00 0.99 5.85 -1.94 0.77 115.31 123.75 1yaj h LEU 155 Ca 0.00 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1yaj h LEU 155 Cb 0.96 0.70 0.00 0.00 0.37 0.00 0.00 40.66 42.69 1yaj h LEU 155 CO 0.00 -0.42 0.00 0.00 -0.34 0.00 0.00 178.44 177.68 1yaj n ALA 156 N -3.03 -0.09 -0.47 1.25 0.00 -1.26 -1.28 120.51 115.62 1yaj n ALA 156 Ca -0.04 0.00 0.41 0.00 0.00 0.00 0.00 53.44 53.81 1yaj n ALA 156 Cb 0.34 0.19 0.75 0.00 0.00 0.00 0.00 19.45 20.74 1yaj n ALA 156 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1yaj h LEU 157 N 0.00 0.05 -0.17 0.00 5.85 -1.77 0.70 115.31 119.97 1yaj h LEU 157 Ca 0.00 0.02 -0.22 0.00 0.84 0.00 0.00 57.88 58.52 1yaj h LEU 157 Cb 0.00 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 1yaj h LEU 157 CO 0.00 -0.01 -0.96 0.00 -0.34 0.00 0.00 178.44 177.13 1yaj h ALA 158 N 1.30 0.39 0.08 1.25 0.00 -0.47 -3.10 119.26 118.71 1yaj h ALA 158 Ca 0.73 -0.74 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1yaj h ALA 158 Cb 2.80 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 20.56 1yaj h ALA 158 CO -0.07 0.88 -0.62 0.00 0.00 0.00 0.00 179.25 179.44 1yaj h ALA 159 N 0.81 -0.02 -0.20 0.00 0.00 0.16 -3.02 119.26 117.00 1yaj h ALA 159 Ca -0.07 -0.69 -0.03 0.00 0.00 0.00 0.00 54.91 54.11 1yaj h ALA 159 Cb 1.61 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 1yaj h ALA 159 CO 0.16 0.31 -0.01 0.45 0.00 0.00 0.00 179.25 180.16 1yaj h HIS 160 N -0.61 0.38 -0.39 0.00 -0.00 -0.62 -3.32 115.15 110.59 1yaj h HIS 160 Ca -0.12 -0.07 0.00 0.00 -0.00 0.00 0.00 60.37 60.18 1yaj h HIS 160 Cb 1.42 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 28.73 1yaj h HIS 160 CO 0.21 0.55 0.00 0.39 -0.00 0.00 0.00 177.93 179.09 1yaj n GLU 161 N -4.69 3.09 -3.62 2.45 -0.58 -1.17 -5.01 120.64 111.11 1yaj n GLU 161 Ca -0.04 -2.52 -0.20 0.00 -0.42 0.00 0.00 57.16 53.98 1yaj n GLU 161 Cb 0.23 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 1yaj n GLU 161 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1yaj n ASN 162 N 0.31 -5.52 -3.96 1.62 5.03 -1.15 -5.01 115.26 106.59 1yaj n ASN 162 Ca 0.18 -0.74 -0.09 0.00 0.87 0.00 0.00 54.58 54.80 1yaj n ASN 162 Cb 0.69 -2.47 -0.11 0.00 -1.02 0.00 0.00 39.78 36.87 1yaj n ASN 162 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 1yaj s VAL 163 N -2.94 0.10 -0.46 2.41 -7.23 -1.19 -4.52 120.40 106.57 1yaj s VAL 163 Ca 0.02 -0.81 -0.25 0.00 -1.81 0.00 0.00 61.98 59.12 1yaj s VAL 163 Cb -0.00 -0.26 0.03 0.00 0.56 0.00 0.00 36.38 36.70 1yaj s VAL 163 CO 0.86 -0.44 0.93 -0.69 -0.31 0.00 0.00 175.10 175.45 1yaj s VAL 164 N -1.33 4.47 -0.04 1.32 1.01 0.34 -4.34 120.40 121.84 1yaj s VAL 164 Ca -0.15 0.75 -0.17 0.00 0.00 0.00 0.00 61.98 62.42 1yaj s VAL 164 Cb -0.09 -4.44 -0.05 0.00 0.00 0.00 0.00 36.38 31.80 1yaj s VAL 164 CO -0.01 -0.83 0.45 -0.69 0.00 0.00 0.00 175.10 174.02 1yaj s VAL 165 N 3.76 5.05 -0.17 2.92 1.01 0.11 -0.49 120.40 132.60 1yaj s VAL 165 Ca 0.37 0.92 -0.02 0.00 0.00 0.00 0.00 61.98 63.26 1yaj s VAL 165 Cb -0.10 -3.77 0.05 0.00 0.00 0.00 0.00 36.38 32.56 1yaj s VAL 165 CO 0.26 0.48 0.00 -0.69 0.00 0.00 0.00 175.10 175.15 1yaj s VAL 166 N -0.41 0.70 -0.26 2.92 1.01 -0.36 0.96 120.40 124.96 1yaj s VAL 166 Ca 0.25 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 61.60 1yaj s VAL 166 Cb -0.16 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1yaj s VAL 166 CO 0.13 -0.04 0.28 0.42 0.00 0.00 0.00 175.10 175.88 1yaj s THR 167 N 1.79 5.25 0.34 3.92 -4.23 0.30 -0.12 115.64 122.90 1yaj s THR 167 Ca 0.00 0.38 0.08 0.00 -1.18 0.00 0.00 61.69 60.97 1yaj s THR 167 Cb -0.16 -3.61 -0.03 0.00 1.34 0.00 0.00 72.50 70.04 1yaj s THR 167 CO -0.07 0.22 0.24 0.27 -0.54 0.00 0.00 174.62 174.74 1yaj s ILE 168 N 1.75 3.29 0.18 2.99 -4.36 -1.05 0.25 121.20 124.26 1yaj s ILE 168 Ca 0.11 -1.49 0.07 0.00 -0.26 0.00 0.00 60.65 59.08 1yaj s ILE 168 Cb -0.15 -3.10 -0.05 0.00 1.25 0.00 0.00 42.46 40.41 1yaj s ILE 168 CO 0.09 -0.17 -0.13 -1.10 0.24 0.00 0.00 174.94 173.88 1yaj s GLN 169 N -3.95 1.23 -0.02 0.37 -0.21 -1.16 -4.38 119.66 111.55 1yaj s GLN 169 Ca 0.40 -1.54 -0.21 0.00 0.02 0.00 0.00 55.36 54.03 1yaj s GLN 169 Cb -0.04 -0.94 0.04 0.00 1.00 0.00 0.00 33.01 33.07 1yaj s GLN 169 CO 0.25 0.14 0.45 1.52 -2.12 0.00 0.00 175.29 175.54 1yaj s TYR 170 N -3.10 -0.36 0.61 0.91 1.13 -1.26 -4.68 117.35 110.60 1yaj s TYR 170 Ca 0.20 0.55 -0.19 0.00 -1.41 0.00 0.00 57.07 56.22 1yaj s TYR 170 Cb 0.01 0.22 -0.03 0.00 -1.10 0.00 0.00 41.96 41.06 1yaj s TYR 170 CO 0.05 -0.49 1.28 0.54 -2.51 0.00 0.00 175.55 174.42 1yaj n ARG 171 N 1.03 1.28 -4.34 -3.49 1.74 -1.26 -4.86 116.66 106.76 1yaj n ARG 171 Ca -0.20 0.49 -0.25 0.00 -0.77 0.00 0.00 57.85 57.12 1yaj n ARG 171 Cb 0.57 -2.51 -0.07 0.00 -1.02 0.00 0.00 32.46 29.43 1yaj n ARG 171 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1yaj n LEU 172 N -1.50 0.00 0.00 0.55 4.77 -1.26 -4.13 117.00 115.43 1yaj n LEU 172 Ca 0.14 -3.03 0.00 0.00 -0.03 0.00 0.00 56.01 53.09 1yaj n LEU 172 Cb 0.47 0.95 0.00 0.00 -2.33 0.00 0.00 43.42 42.51 1yaj n LEU 172 CO 0.49 -0.46 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 1yaj n GLY 173 N -0.71 1.02 0.31 -0.72 0.00 -0.30 -0.67 105.19 104.11 1yaj n GLY 173 Ca -0.07 -0.51 -0.01 0.00 0.00 0.00 0.00 46.02 45.43 1yaj n GLY 173 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1yaj h ILE 174 N 0.00 0.22 -1.00 -0.61 5.03 -1.92 -0.32 117.51 118.91 1yaj h ILE 174 Ca 0.00 0.00 0.19 0.00 -0.12 0.00 0.00 64.86 64.93 1yaj h ILE 174 Cb 0.00 0.22 -0.10 0.00 -3.03 0.00 0.00 36.82 33.91 1yaj h ILE 174 CO 0.00 0.00 0.61 -0.50 -0.68 0.00 0.00 178.15 177.58 1yaj h TRP 175 N -0.06 1.02 0.00 1.37 6.55 -1.81 -1.08 115.95 121.94 1yaj h TRP 175 Ca 0.30 0.03 0.00 0.00 0.95 0.00 0.00 58.89 60.18 1yaj h TRP 175 Cb 0.54 -0.31 0.00 0.00 -0.86 0.00 0.00 29.16 28.53 1yaj h TRP 175 CO -0.62 0.22 -1.42 0.41 -1.05 0.00 0.00 178.44 175.99 1yaj n GLY 176 N -1.34 -0.72 0.44 1.49 0.00 0.15 -4.41 105.19 100.80 1yaj n GLY 176 Ca 0.23 -0.44 0.03 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.84 0.00 -2.70 1.61 3.72 -0.21 0.34 117.46 118.38 1yaj n PHE 177 Ca -0.01 -0.30 -0.43 0.00 -0.05 0.00 0.00 57.45 56.66 1yaj n PHE 177 Cb 0.38 -0.08 -0.02 0.00 -0.94 0.00 0.00 39.48 38.81 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 -0.78 3.34 0.07 1.38 2.19 -0.42 -4.49 117.98 119.27 1yaj s PHE 178 Ca 0.10 1.41 0.05 0.00 0.33 0.00 0.00 56.93 58.82 1yaj s PHE 178 Cb 0.10 -3.23 -0.03 0.00 -1.31 0.00 0.00 43.02 38.55 1yaj s PHE 178 CO -0.00 -0.46 -0.14 0.45 1.83 0.00 0.00 175.22 176.90 1yaj s SER 179 N 1.22 1.61 -0.00 6.13 0.15 -1.26 -4.33 113.70 117.23 1yaj s SER 179 Ca 0.42 -0.62 0.16 0.00 0.70 0.00 0.00 55.95 56.61 1yaj s SER 179 Cb -0.15 -0.04 -0.18 0.00 -1.71 0.00 0.00 66.02 63.94 1yaj s SER 179 CO 0.06 -0.09 0.64 0.35 1.20 0.00 0.00 173.24 175.41 1yaj n THR 180 N 1.26 0.00 0.00 6.45 -2.24 -0.12 -4.46 114.28 115.16 1yaj n THR 180 Ca -0.21 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1yaj n THR 180 Cb 0.54 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 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 1.38 1.10 3.37 3.38 0.00 -1.26 -3.87 105.19 109.29 1yaj n GLY 181 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 1yaj n GLY 181 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1yaj s ASP 182 N -1.91 2.05 0.33 1.61 -4.77 -1.26 -4.87 116.67 107.86 1yaj s ASP 182 Ca 0.00 -1.73 0.06 0.00 -3.30 0.00 0.00 52.55 47.58 1yaj s ASP 182 Cb 0.00 0.55 0.32 0.00 -1.09 0.00 0.00 42.92 42.70 1yaj s ASP 182 CO 0.00 -1.02 0.99 1.05 0.70 0.00 0.00 175.17 176.90 1yaj h GLU 183 N 2.01 0.00 0.00 2.11 9.09 -1.96 0.22 114.58 126.05 1yaj h GLU 183 Ca -0.29 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.04 1yaj h GLU 183 Cb 1.25 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.34 1yaj h GLU 183 CO 0.44 0.00 -0.38 0.45 0.05 0.00 0.00 179.01 179.57 1yaj h HIS 184 N 0.00 0.00 0.00 2.06 3.86 -1.96 -3.41 115.15 115.70 1yaj h HIS 184 Ca 0.00 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.04 1yaj h HIS 184 Cb 1.11 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.45 1yaj h HIS 184 CO 0.00 0.38 -0.27 0.45 0.86 0.00 0.00 177.93 179.34 1yaj n SER 185 N -3.29 -2.11 -0.27 2.45 2.88 0.75 -4.99 113.62 109.04 1yaj n SER 185 Ca 0.01 -2.76 0.06 0.00 -1.33 0.00 0.00 58.87 54.86 1yaj n SER 185 Cb 0.62 1.45 0.21 0.00 -0.75 0.00 0.00 64.21 65.73 1yaj n SER 185 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1yaj h ARG 186 N 3.30 0.45 0.00 -1.46 3.08 -1.71 -0.30 114.38 117.74 1yaj h ARG 186 Ca -0.19 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.83 1yaj h ARG 186 Cb 1.12 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.07 1yaj h ARG 186 CO 0.10 0.30 0.00 0.41 -1.07 0.00 0.00 179.97 179.71 1yaj n GLY 187 N -1.33 -1.33 2.53 0.04 0.00 -1.26 -4.65 105.19 99.20 1yaj n GLY 187 Ca 0.16 -2.08 -0.21 0.00 0.00 0.00 0.00 46.02 43.88 1yaj n GLY 187 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1yaj n ASN 188 N 0.00 -5.93 0.18 1.61 3.02 -1.26 -4.90 115.26 107.98 1yaj n ASN 188 Ca 0.00 -0.07 -0.15 0.00 -0.03 0.00 0.00 54.58 54.33 1yaj n ASN 188 Cb 0.00 -4.91 -0.07 0.00 -0.61 0.00 0.00 39.78 34.19 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 -0.29 -1.02 -0.89 3.10 -0.00 -1.10 0.28 115.95 116.03 1yaj h TRP 189 Ca -0.50 0.01 0.14 0.00 -0.00 0.00 0.00 58.89 58.54 1yaj h TRP 189 Cb 1.36 0.41 -0.07 0.00 -0.00 0.00 0.00 29.16 30.86 1yaj h TRP 189 CO 0.56 -0.50 0.58 0.78 -0.00 0.00 0.00 178.44 179.85 1yaj h GLY 190 N -0.70 1.23 0.86 1.49 0.00 -0.27 -0.32 103.07 105.36 1yaj h GLY 190 Ca -0.01 -0.31 -0.09 0.00 0.00 0.00 0.00 47.33 46.92 1yaj h GLY 190 CO -0.13 0.11 -0.21 0.45 0.00 0.00 0.00 176.54 176.76 1yaj h HIS 191 N 0.73 0.64 0.00 5.60 3.86 -1.63 -1.88 115.15 122.46 1yaj h HIS 191 Ca 0.44 -0.19 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 1yaj h HIS 191 Cb 0.67 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.00 1yaj h HIS 191 CO -0.00 0.87 0.00 1.28 0.86 0.00 0.00 177.93 180.94 1yaj n LEU 192 N -4.41 0.21 0.09 2.43 4.77 0.93 -1.82 117.00 119.19 1yaj n LEU 192 Ca -0.05 0.57 -0.23 0.00 -0.03 0.00 0.00 56.01 56.28 1yaj n LEU 192 Cb 0.41 -0.57 -0.15 0.00 -2.33 0.00 0.00 43.42 40.78 1yaj n LEU 192 CO 0.42 -0.50 -0.18 0.44 -1.33 0.00 0.00 177.39 176.24 1yaj h ASP 193 N 0.00 0.63 -0.01 -1.43 3.32 -0.43 -2.69 116.42 115.81 1yaj h ASP 193 Ca 0.00 -0.93 -0.07 0.00 0.02 0.00 0.00 57.03 56.05 1yaj h ASP 193 Cb 0.15 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1yaj h ASP 193 CO 0.00 1.59 -0.18 1.56 -1.72 0.00 0.00 179.24 180.49 1yaj h GLN 194 N -0.11 0.35 -0.54 3.56 4.20 -0.86 -0.66 115.11 121.07 1yaj h GLN 194 Ca -0.23 -0.11 -0.12 0.00 0.06 0.00 0.00 58.65 58.26 1yaj h GLN 194 Cb 1.92 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 29.65 1yaj h GLN 194 CO 0.20 0.53 -0.13 0.28 -0.67 0.00 0.00 178.83 179.04 1yaj h VAL 195 N 0.33 1.27 -0.56 -0.54 2.07 -1.39 -2.22 116.25 115.20 1yaj h VAL 195 Ca 0.06 -1.29 -0.06 0.00 0.82 0.00 0.00 66.70 66.22 1yaj h VAL 195 Cb 0.51 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1yaj h VAL 195 CO 0.03 0.46 0.10 0.00 0.02 0.00 0.00 177.57 178.18 1yaj h ALA 196 N 0.93 0.75 -0.83 1.67 0.00 -1.07 -2.25 119.26 118.45 1yaj h ALA 196 Ca 0.14 -0.25 0.10 0.00 0.00 0.00 0.00 54.91 54.90 1yaj h ALA 196 Cb 0.70 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.21 1yaj h ALA 196 CO 0.05 0.49 0.47 0.00 0.00 0.00 0.00 179.25 180.26 1yaj h ALA 197 N 1.00 1.20 0.06 0.00 0.00 -0.97 -1.39 119.26 119.17 1yaj h ALA 197 Ca 0.17 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1yaj h ALA 197 Cb 0.40 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1yaj h ALA 197 CO 0.01 0.08 -0.03 -0.07 0.00 0.00 0.00 179.25 179.25 1yaj h LEU 198 N 0.78 -0.07 -1.34 0.00 3.38 -1.10 -1.64 115.31 115.33 1yaj h LEU 198 Ca 0.41 -0.20 0.20 0.00 0.09 0.00 0.00 57.88 58.38 1yaj h LEU 198 Cb 0.40 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.09 1yaj h LEU 198 CO -0.26 0.16 0.61 0.03 0.09 0.00 0.00 178.44 179.06 1yaj h ARG 199 N -0.30 0.53 -0.00 1.13 3.08 -0.90 0.44 114.38 118.35 1yaj h ARG 199 Ca -0.01 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1yaj h ARG 199 Cb 0.26 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 1yaj h ARG 199 CO 0.01 0.35 0.00 2.35 -1.07 0.00 0.00 179.97 181.61 1yaj h TRP 200 N 0.54 0.01 -0.61 3.04 7.01 -0.83 -1.84 115.95 123.27 1yaj h TRP 200 Ca 0.50 -0.00 0.10 0.00 2.11 0.00 0.00 58.89 61.61 1yaj h TRP 200 Cb 1.06 -0.00 -0.08 0.00 -2.10 0.00 0.00 29.16 28.04 1yaj h TRP 200 CO -0.00 0.18 0.19 0.28 -2.79 0.00 0.00 178.44 176.29 1yaj h VAL 201 N -0.16 0.71 0.00 2.65 2.07 0.55 0.20 116.25 122.27 1yaj h VAL 201 Ca 0.00 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1yaj h VAL 201 Cb 0.17 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1yaj h VAL 201 CO -0.00 0.06 0.00 0.00 0.02 0.00 0.00 177.57 177.65 1yaj n GLN 202 N -5.06 0.08 0.00 1.57 1.13 0.11 -2.03 117.38 113.19 1yaj n GLN 202 Ca 0.09 0.36 0.00 0.00 -1.94 0.00 0.00 57.00 55.52 1yaj n GLN 202 Cb 0.30 -1.67 0.00 0.00 0.11 0.00 0.00 30.24 28.98 1yaj n GLN 202 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1yaj n ASP 203 N -1.83 0.65 0.00 1.08 8.00 0.06 -4.88 116.55 119.64 1yaj n ASP 203 Ca 0.02 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.70 1yaj n ASP 203 Cb 0.17 0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 1yaj n ASP 203 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1yaj n ASN 204 N -0.37 0.31 -0.28 -2.24 3.02 0.50 -4.75 115.26 111.45 1yaj n ASN 204 Ca 0.00 0.00 0.29 0.00 -0.03 0.00 0.00 54.58 54.84 1yaj n ASN 204 Cb 0.01 0.00 0.44 0.00 -0.61 0.00 0.00 39.78 39.62 1yaj n ASN 204 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yaj n ILE 205 N -2.52 0.00 -0.26 2.41 0.13 -0.86 -0.16 119.36 118.11 1yaj n ILE 205 Ca 0.00 1.10 0.03 0.00 -1.10 0.00 0.00 62.75 62.78 1yaj n ILE 205 Cb 0.19 -1.93 0.16 0.00 -0.84 0.00 0.00 39.64 37.21 1yaj n ILE 205 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1yaj h ALA 206 N 0.53 1.04 0.00 1.51 0.00 -1.78 0.46 119.26 121.03 1yaj h ALA 206 Ca 0.50 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1yaj h ALA 206 Cb 2.63 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 20.39 1yaj h ALA 206 CO -0.01 -0.06 0.00 0.43 0.00 0.00 0.00 179.25 179.62 1yaj n SER 207 N -4.87 0.82 -0.87 0.00 7.64 0.78 -2.91 113.62 114.21 1yaj n SER 207 Ca 0.12 -1.80 0.05 0.00 1.01 0.00 0.00 58.87 58.26 1yaj n SER 207 Cb 0.31 -0.41 0.10 0.00 -1.01 0.00 0.00 64.21 63.20 1yaj n SER 207 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1yaj n PHE 208 N 0.00 0.00 -0.60 1.43 3.01 0.11 -4.76 117.46 116.65 1yaj n PHE 208 Ca 0.00 -0.82 0.00 0.00 1.01 0.00 0.00 57.45 57.64 1yaj n PHE 208 Cb 0.20 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 39.51 1yaj n PHE 208 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yaj n GLY 209 N -0.36 1.59 3.89 1.37 0.00 -1.15 -4.71 105.19 105.82 1yaj n GLY 209 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.95 2.26 -0.42 -0.02 0.00 -0.96 0.10 107.32 106.33 1yaj s GLY 210 Ca 0.00 -0.44 -0.16 0.00 0.00 0.00 0.00 44.72 44.13 1yaj s GLY 210 CO 0.00 -0.32 0.36 0.21 0.00 0.00 0.00 173.10 173.35 1yaj s ASN 211 N -2.34 6.14 0.00 1.64 2.47 0.31 -3.45 114.94 119.72 1yaj s ASN 211 Ca 0.43 -0.89 0.03 0.00 0.42 0.00 0.00 52.86 52.84 1yaj s ASN 211 Cb -0.12 -2.18 0.13 0.00 -1.45 0.00 0.00 41.25 37.63 1yaj s ASN 211 CO 0.23 -0.53 1.00 -0.81 -3.72 0.00 0.00 177.10 173.28 1yaj n PRO 212 N 5.32 0.02 0.00 0.43 -0.04 -1.26 -1.61 135.00 137.85 1yaj n PRO 212 Ca -0.10 0.36 0.13 0.00 -0.04 0.00 0.00 63.50 63.85 1yaj n PRO 212 Cb 0.47 -1.50 0.43 0.00 -0.04 0.00 0.00 33.50 32.86 1yaj n PRO 212 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1yaj n GLY 213 N -1.13 -1.17 2.39 0.55 0.00 -1.26 -4.43 105.19 100.14 1yaj n GLY 213 Ca 0.01 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 1yaj n GLY 213 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yaj n SER 214 N -1.29 -0.62 -4.76 1.61 2.88 -0.64 -4.90 113.62 105.91 1yaj n SER 214 Ca 0.09 -2.44 -0.34 0.00 -1.33 0.00 0.00 58.87 54.85 1yaj n SER 214 Cb 0.33 -0.41 -0.08 0.00 -0.75 0.00 0.00 64.21 63.30 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 -0.01 4.65 -0.12 2.46 1.01 -1.26 -2.62 120.40 124.50 1yaj s VAL 215 Ca 0.33 -0.33 -0.00 0.00 0.00 0.00 0.00 61.98 61.98 1yaj s VAL 215 Cb 0.05 -3.07 0.03 0.00 0.00 0.00 0.00 36.38 33.39 1yaj s VAL 215 CO -0.18 0.44 -0.08 -0.89 0.00 0.00 0.00 175.10 174.39 1yaj s THR 216 N -1.09 1.09 -0.02 3.92 2.01 0.67 -0.54 115.64 121.68 1yaj s THR 216 Ca 0.19 -0.36 -0.14 0.00 0.31 0.00 0.00 61.69 61.69 1yaj s THR 216 Cb -0.12 -1.12 -0.05 0.00 0.01 0.00 0.00 72.50 71.22 1yaj s THR 216 CO 0.10 0.35 0.37 0.27 -0.69 0.00 0.00 174.62 175.02 1yaj s ILE 217 N 1.68 5.09 -0.20 1.82 -4.36 -0.72 0.07 121.20 124.58 1yaj s ILE 217 Ca 0.04 0.76 -0.17 0.00 -0.26 0.00 0.00 60.65 61.02 1yaj s ILE 217 Cb -0.13 -3.67 0.06 0.00 1.25 0.00 0.00 42.46 39.97 1yaj s ILE 217 CO -0.08 0.58 0.53 0.72 0.24 0.00 0.00 174.94 176.93 1yaj s PHE 218 N -1.07 -0.64 0.04 1.37 -0.71 -0.44 -0.70 117.98 115.84 1yaj s PHE 218 Ca 0.23 1.49 -0.12 0.00 -1.04 0.00 0.00 56.93 57.48 1yaj s PHE 218 Cb -0.16 0.25 0.01 0.00 -1.21 0.00 0.00 43.02 41.92 1yaj s PHE 218 CO 0.12 -0.32 0.26 0.20 -1.34 0.00 0.00 175.22 174.15 1yaj s GLY 219 N 0.57 -0.07 0.44 1.99 0.00 -1.08 -1.49 107.32 107.68 1yaj s GLY 219 Ca -0.02 -0.11 0.07 0.00 0.00 0.00 0.00 44.72 44.66 1yaj s GLY 219 CO -0.03 -0.31 0.60 1.85 0.00 0.00 0.00 173.10 175.21 1yaj s GLU 220 N -2.60 2.78 0.00 2.90 -6.30 -1.24 -1.54 118.70 112.70 1yaj s GLU 220 Ca -0.05 -1.20 0.00 0.00 -2.50 0.00 0.00 54.97 51.22 1yaj s GLU 220 Cb -0.01 -2.72 0.00 0.00 0.00 0.00 0.00 34.13 31.40 1yaj s GLU 220 CO -0.04 -0.34 0.00 0.45 0.02 0.00 0.00 175.26 175.35 1yaj n SER 221 N -1.92 0.00 -0.04 -1.70 2.88 -0.73 0.10 113.62 112.22 1yaj n SER 221 Ca 0.08 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.77 1yaj n SER 221 Cb 0.59 0.00 0.58 0.00 -0.75 0.00 0.00 64.21 64.63 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 0.00 2.20 -0.94 -1.46 0.00 -1.87 0.23 119.26 117.41 1yaj h ALA 222 Ca 0.00 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.99 1yaj h ALA 222 Cb 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 1yaj h ALA 222 CO 0.00 -0.34 0.58 0.78 0.00 0.00 0.00 179.25 180.28 1yaj h GLY 223 N 0.23 1.47 0.75 0.00 0.00 0.74 0.75 103.07 107.03 1yaj h GLY 223 Ca 0.26 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 1yaj h GLY 223 CO -0.05 0.21 -0.25 -1.33 0.00 0.00 0.00 176.54 175.12 1yaj h GLY 224 N 0.99 -0.74 -0.81 4.60 0.00 0.25 -2.77 103.07 104.59 1yaj h GLY 224 Ca 0.44 0.27 0.38 0.00 0.00 0.00 0.00 47.33 48.42 1yaj h GLY 224 CO -0.22 -0.27 0.72 -2.09 0.00 0.00 0.00 176.54 174.68 1yaj h GLU 225 N -0.96 0.17 0.08 4.80 4.22 -0.22 1.11 114.58 123.79 1yaj h GLU 225 Ca -0.07 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.35 1yaj h GLU 225 Cb 0.62 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1yaj h GLU 225 CO 0.12 0.12 -0.04 0.77 -2.18 0.00 0.00 179.01 177.79 1yaj h SER 226 N 0.18 -0.10 -0.65 1.04 0.02 -0.60 0.80 113.55 114.24 1yaj h SER 226 Ca 0.77 -0.02 0.11 0.00 -0.84 0.00 0.00 61.79 61.82 1yaj h SER 226 Cb 2.16 0.02 -0.08 0.00 0.14 0.00 0.00 62.40 64.64 1yaj h SER 226 CO -0.48 -0.05 0.21 0.58 -1.14 0.00 0.00 176.83 175.95 1yaj h VAL 227 N -0.14 0.69 -0.32 2.27 2.07 0.15 0.14 116.25 121.11 1yaj h VAL 227 Ca -0.01 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 67.43 1yaj h VAL 227 Cb 0.11 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.12 1yaj h VAL 227 CO 0.02 0.07 0.03 -1.28 0.02 0.00 0.00 177.57 176.42 1yaj h SER 228 N 0.37 -0.07 -1.00 0.57 0.87 -0.51 -0.10 113.55 113.69 1yaj h SER 228 Ca 0.34 0.06 0.04 0.00 -1.23 0.00 0.00 61.79 61.01 1yaj h SER 228 Cb 0.48 0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 62.49 1yaj h SER 228 CO -0.37 -0.00 0.65 0.58 -0.53 0.00 0.00 176.83 177.16 1yaj h VAL 229 N 0.12 1.15 0.42 2.23 2.07 0.13 -1.98 116.25 120.39 1yaj h VAL 229 Ca 0.15 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1yaj h VAL 229 Cb 0.19 -0.20 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1yaj h VAL 229 CO -0.23 0.23 -0.20 -0.07 0.02 0.00 0.00 177.57 177.31 1yaj h LEU 230 N 1.24 -0.48 -1.99 2.57 3.38 0.40 0.29 115.31 120.72 1yaj h LEU 230 Ca 0.41 -0.06 0.36 0.00 0.09 0.00 0.00 57.88 58.68 1yaj h LEU 230 Cb 0.05 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 1yaj h LEU 230 CO -0.14 -0.22 0.91 0.58 0.09 0.00 0.00 178.44 179.66 1yaj h VAL 231 N -0.72 0.37 0.00 1.22 2.07 -0.67 0.22 116.25 118.74 1yaj h VAL 231 Ca -0.06 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.24 1yaj h VAL 231 Cb 0.51 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1yaj h VAL 231 CO 0.09 0.00 -1.61 0.18 0.02 0.00 0.00 177.57 176.26 1yaj n LEU 232 N -4.15 0.79 -4.72 2.57 4.77 -0.78 -4.91 117.00 110.58 1yaj n LEU 232 Ca 0.27 0.36 -0.42 0.00 -0.03 0.00 0.00 56.01 56.19 1yaj n LEU 232 Cb 1.32 0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 42.51 1yaj n LEU 232 CO 0.41 0.26 0.72 -0.55 -1.33 0.00 0.00 177.39 176.89 1yaj s SER 233 N -5.85 7.35 0.27 -1.43 0.15 0.98 -4.96 113.70 110.21 1yaj s SER 233 Ca -0.04 1.79 -0.02 0.00 0.70 0.00 0.00 55.95 58.38 1yaj s SER 233 Cb 0.08 -2.58 0.37 0.00 -1.71 0.00 0.00 66.02 62.18 1yaj s SER 233 CO 0.82 -0.24 1.84 -0.65 1.20 0.00 0.00 173.24 176.21 1yaj h PRO 234 N 6.30 0.92 -0.06 5.44 0.11 -1.82 -1.83 132.00 141.07 1yaj h PRO 234 Ca -0.42 -0.16 0.02 0.00 0.11 0.00 0.00 66.00 65.54 1yaj h PRO 234 Cb 1.22 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1yaj h PRO 234 CO 0.75 0.78 0.05 -0.07 -0.21 0.00 0.00 178.00 179.30 1yaj h LEU 235 N 0.90 0.00 -1.07 2.35 3.38 -1.86 -0.71 115.31 118.30 1yaj h LEU 235 Ca 0.21 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1yaj h LEU 235 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1yaj h LEU 235 CO -0.01 0.00 -0.13 0.00 0.09 0.00 0.00 178.44 178.38 1yaj h ALA 236 N 1.95 1.00 -2.02 1.53 0.00 -1.56 -3.46 119.26 116.70 1yaj h ALA 236 Ca 0.03 -0.12 -0.60 0.00 0.00 0.00 0.00 54.91 54.21 1yaj h ALA 236 Cb 0.14 -0.02 0.16 0.00 0.00 0.00 0.00 17.79 18.07 1yaj h ALA 236 CO -0.00 0.17 -0.66 1.63 0.00 0.00 0.00 179.25 180.38 1yaj n LYS 237 N -3.25 0.32 -0.77 0.00 5.02 -0.28 -1.31 118.16 117.88 1yaj n LYS 237 Ca 0.01 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 1yaj n LYS 237 Cb 0.41 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 1yaj n LYS 237 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1yaj n ASN 238 N 1.61 -3.17 -0.01 4.39 3.02 -1.26 -4.75 115.26 115.09 1yaj n ASN 238 Ca 0.11 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.63 1yaj n ASN 238 Cb 0.42 -2.96 -0.12 0.00 -0.61 0.00 0.00 39.78 36.52 1yaj n ASN 238 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1yaj n LEU 239 N 0.00 0.66 -4.08 3.41 4.77 -0.43 -4.97 117.00 116.35 1yaj n LEU 239 Ca 0.00 0.30 -0.09 0.00 -0.03 0.00 0.00 56.01 56.19 1yaj n LEU 239 Cb 0.26 0.17 -0.09 0.00 -2.33 0.00 0.00 43.42 41.43 1yaj n LEU 239 CO 0.00 0.26 -0.23 0.72 -1.33 0.00 0.00 177.39 176.81 1yaj s PHE 240 N -2.80 0.67 0.00 -1.77 -0.71 -1.26 -4.86 117.98 107.25 1yaj s PHE 240 Ca -0.05 -1.07 0.00 0.00 -1.04 0.00 0.00 56.93 54.77 1yaj s PHE 240 Cb 0.08 -0.35 0.00 0.00 -1.21 0.00 0.00 43.02 41.55 1yaj s PHE 240 CO 0.82 -0.55 0.31 0.72 -1.34 0.00 0.00 175.22 175.19 1yaj n HIS 241 N -0.09 0.00 -3.60 3.49 8.25 0.30 -4.93 115.22 118.63 1yaj n HIS 241 Ca -0.08 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.22 1yaj n HIS 241 Cb 0.63 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.67 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 -0.11 0.93 0.00 -0.41 0.52 -1.12 -4.11 118.95 114.64 1yaj s ARG 242 Ca 0.00 0.16 -0.00 0.00 -0.52 0.00 0.00 55.73 55.36 1yaj s ARG 242 Cb 0.00 0.43 -0.00 0.00 0.52 0.00 0.00 34.95 35.90 1yaj s ARG 242 CO 0.00 -0.27 0.00 0.00 0.02 0.00 0.00 175.30 175.05 1yaj s ALA 243 N -1.15 0.01 -0.08 2.13 0.00 -0.38 -1.75 121.76 120.53 1yaj s ALA 243 Ca -0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 51.96 51.70 1yaj s ALA 243 Cb -0.02 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.16 1yaj s ALA 243 CO 0.08 -0.05 -0.05 0.42 0.00 0.00 0.00 175.76 176.16 1yaj s ILE 244 N -0.42 0.73 -0.28 0.00 1.01 0.13 -0.25 121.20 122.13 1yaj s ILE 244 Ca -0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 60.65 60.45 1yaj s ILE 244 Cb -0.03 -0.78 0.04 0.00 0.01 0.00 0.00 42.46 41.70 1yaj s ILE 244 CO -0.00 0.30 -0.04 -0.44 0.00 0.00 0.00 174.94 174.76 1yaj s SER 245 N 1.50 4.62 -0.39 3.58 0.01 -1.18 -2.64 113.70 119.19 1yaj s SER 245 Ca -0.01 -1.18 -0.11 0.00 1.31 0.00 0.00 55.95 55.96 1yaj s SER 245 Cb -0.13 -1.66 0.04 0.00 0.21 0.00 0.00 66.02 64.47 1yaj s SER 245 CO -0.04 -0.21 0.23 -1.61 0.41 0.00 0.00 173.24 172.02 1yaj s GLU 246 N 1.24 2.80 -0.60 12.44 2.02 -0.59 -1.32 118.70 134.69 1yaj s GLU 246 Ca -0.04 -1.15 -0.08 0.00 0.02 0.00 0.00 54.97 53.72 1yaj s GLU 246 Cb -0.19 -3.78 0.01 0.00 0.10 0.00 0.00 34.13 30.27 1yaj s GLU 246 CO -0.03 -0.76 0.65 0.43 0.02 0.00 0.00 175.26 175.58 1yaj n SER 247 N 5.01 -7.78 0.00 -0.19 7.64 -0.98 -1.77 113.62 115.55 1yaj n SER 247 Ca -0.12 0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1yaj n SER 247 Cb 0.45 -5.23 0.00 0.00 -1.01 0.00 0.00 64.21 58.43 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 -1.11 3.48 3.47 0.23 0.00 -1.26 -2.16 105.19 107.84 1yaj n GLY 248 Ca 0.04 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 45.08 1yaj n GLY 248 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1yaj s VAL 249 N 0.00 0.83 -1.92 1.61 -7.23 -1.26 -0.51 120.40 111.93 1yaj s VAL 249 Ca 0.00 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.19 1yaj s VAL 249 Cb 0.00 -2.55 0.07 0.00 0.56 0.00 0.00 36.38 34.46 1yaj s VAL 249 CO 0.00 0.00 0.67 0.00 -0.31 0.00 0.00 175.10 175.46 1yaj n ALA 250 N -0.78 1.55 -0.60 1.32 0.00 -1.25 -0.88 120.51 119.87 1yaj n ALA 250 Ca -0.04 -0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.46 1yaj n ALA 250 Cb 0.66 -1.04 0.22 0.00 0.00 0.00 0.00 19.45 19.29 1yaj n ALA 250 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1yaj n LEU 251 N -1.04 3.58 -3.99 0.00 4.77 -1.26 -4.77 117.00 114.29 1yaj n LEU 251 Ca 0.02 -2.51 -0.43 0.00 -0.03 0.00 0.00 56.01 53.06 1yaj n LEU 251 Cb 0.01 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 1yaj n LEU 251 CO 0.01 0.71 1.97 0.41 -1.33 0.00 0.00 177.39 179.17 1yaj n THR 252 N 0.12 4.18 0.00 -5.08 -1.04 -0.06 -4.86 114.28 107.54 1yaj n THR 252 Ca 0.18 -4.23 0.00 0.00 -2.04 0.00 0.00 64.05 57.95 1yaj n THR 252 Cb 0.69 -2.41 0.00 0.00 -1.82 0.00 0.00 70.33 66.79 1yaj n THR 252 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1yaj n SER 253 N 4.74 0.00 -0.30 8.00 3.41 -1.26 -0.88 113.62 127.32 1yaj n SER 253 Ca 0.42 0.00 0.28 0.00 -0.26 0.00 0.00 58.87 59.30 1yaj n SER 253 Cb 0.38 0.00 0.49 0.00 -0.26 0.00 0.00 64.21 64.83 1yaj n SER 253 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1yaj n VAL 254 N -1.66 -0.27 0.14 -3.33 3.14 -1.26 0.20 118.33 115.30 1yaj n VAL 254 Ca 0.00 1.52 0.06 0.00 -2.96 0.00 0.00 64.34 62.96 1yaj n VAL 254 Cb 0.00 -2.47 0.05 0.00 -1.06 0.00 0.00 33.84 30.36 1yaj n VAL 254 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1yaj h LEU 255 N 0.00 0.00 -8.72 6.55 3.38 -1.38 -3.45 115.31 111.69 1yaj h LEU 255 Ca 0.68 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 58.00 1yaj h LEU 255 Cb 1.97 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 42.48 1yaj h LEU 255 CO -0.50 0.29 -0.69 -0.69 0.09 0.00 0.00 178.44 176.94 1yaj s VAL 256 N -3.08 3.70 -0.20 1.22 1.01 0.13 -0.57 120.40 122.61 1yaj s VAL 256 Ca 0.03 -0.42 -0.16 0.00 0.00 0.00 0.00 61.98 61.44 1yaj s VAL 256 Cb 0.07 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1yaj s VAL 256 CO 0.74 0.48 0.40 -0.75 0.00 0.00 0.00 175.10 175.96 1yaj s LYS 257 N 0.63 4.18 0.16 2.72 2.36 0.31 -4.83 119.74 125.27 1yaj s LYS 257 Ca -0.03 0.21 0.09 0.00 -2.55 0.00 0.00 55.97 53.69 1yaj s LYS 257 Cb -0.15 -3.53 -0.04 0.00 -1.05 0.00 0.00 37.83 33.06 1yaj s LYS 257 CO 0.02 -0.03 -0.13 0.15 1.55 0.00 0.00 175.35 176.91 1yaj s LYS 258 N 1.28 1.93 0.00 4.03 1.02 -1.26 -4.56 119.74 122.18 1yaj s LYS 258 Ca 0.19 -1.27 0.00 0.00 0.02 0.00 0.00 55.97 54.91 1yaj s LYS 258 Cb -0.15 -2.11 0.00 0.00 -0.52 0.00 0.00 37.83 35.05 1yaj s LYS 258 CO 0.08 0.44 0.00 0.41 -0.92 0.00 0.00 175.35 175.36 1yaj n GLY 259 N 0.27 0.48 3.50 -3.33 0.00 -1.26 -4.86 105.19 99.99 1yaj n GLY 259 Ca -0.12 -1.75 -0.37 0.00 0.00 0.00 0.00 46.02 43.78 1yaj n GLY 259 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yaj s ASP 260 N -4.00 5.41 0.05 1.61 2.15 -1.26 -4.97 116.67 115.66 1yaj s ASP 260 Ca 0.00 -0.14 -0.06 0.00 0.43 0.00 0.00 52.55 52.78 1yaj s ASP 260 Cb 0.00 -1.98 -0.30 0.00 -0.30 0.00 0.00 42.92 40.34 1yaj s ASP 260 CO 0.00 -0.03 1.05 -0.37 -0.17 0.00 0.00 175.17 175.65 1yaj h VAL 261 N 5.46 1.38 -0.58 1.11 -1.51 -1.89 -3.38 116.25 116.85 1yaj h VAL 261 Ca -0.37 -2.93 0.17 0.00 -1.23 0.00 0.00 66.70 62.33 1yaj h VAL 261 Cb 1.18 2.93 -0.11 0.00 -2.13 0.00 0.00 31.29 33.16 1yaj h VAL 261 CO 0.58 0.86 0.05 1.17 -1.23 0.00 0.00 177.57 178.99 1yaj n LYS 262 N -3.55 -0.04 -0.29 5.19 3.00 -1.25 0.87 118.16 122.08 1yaj n LYS 262 Ca -0.12 0.86 0.04 0.00 -0.00 0.00 0.00 58.31 59.09 1yaj n LYS 262 Cb 1.05 -1.38 0.25 0.00 0.00 0.00 0.00 35.03 34.94 1yaj n LYS 262 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 1yaj h PRO 263 N 0.00 0.99 -0.14 1.64 0.11 -1.93 0.77 132.00 133.43 1yaj h PRO 263 Ca 0.37 -0.06 -0.20 0.00 0.11 0.00 0.00 66.00 66.22 1yaj h PRO 263 Cb 0.79 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1yaj h PRO 263 CO -0.53 0.65 -0.73 1.25 -0.21 0.00 0.00 178.00 178.43 1yaj h LEU 264 N 1.01 0.76 -0.45 2.35 6.46 0.20 -2.65 115.31 123.00 1yaj h LEU 264 Ca 0.38 -0.48 -0.01 0.00 -0.12 0.00 0.00 57.88 57.64 1yaj h LEU 264 Cb 0.19 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 39.88 1yaj h LEU 264 CO -0.14 1.26 0.22 0.00 -0.62 0.00 0.00 178.44 179.16 1yaj h ALA 265 N 0.73 0.57 0.00 1.25 0.00 -0.81 -1.13 119.26 119.88 1yaj h ALA 265 Ca -0.04 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1yaj h ALA 265 Cb 1.33 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1yaj h ALA 265 CO 0.14 0.13 -0.18 0.93 0.00 0.00 0.00 179.25 180.27 1yaj h GLU 266 N 0.58 0.00 -0.06 0.00 5.08 -0.88 -1.65 114.58 117.65 1yaj h GLU 266 Ca 0.15 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.29 1yaj h GLU 266 Cb 0.10 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.36 1yaj h GLU 266 CO -0.02 0.18 -0.88 0.37 -1.00 0.00 0.00 179.01 177.66 1yaj h GLN 267 N 0.00 0.60 -0.02 2.33 4.15 -0.98 -2.34 115.11 118.85 1yaj h GLN 267 Ca -0.00 -0.56 -0.00 0.00 0.77 0.00 0.00 58.65 58.85 1yaj h GLN 267 Cb 0.38 0.14 -0.00 0.00 0.21 0.00 0.00 27.48 28.21 1yaj h GLN 267 CO 0.02 1.18 0.00 0.82 -1.93 0.00 0.00 178.83 178.93 1yaj h ILE 268 N 0.37 1.19 -0.52 2.39 2.04 -0.63 -1.82 117.51 120.53 1yaj h ILE 268 Ca -0.08 -0.57 0.10 0.00 1.00 0.00 0.00 64.86 65.32 1yaj h ILE 268 Cb 1.51 1.55 -0.09 0.00 -0.74 0.00 0.00 36.82 39.05 1yaj h ILE 268 CO 0.17 0.15 -0.02 0.00 0.00 0.00 0.00 178.15 178.45 1yaj h ALA 269 N 0.77 0.48 -0.20 1.87 0.00 -1.35 0.13 119.26 120.95 1yaj h ALA 269 Ca 0.01 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1yaj h ALA 269 Cb 0.24 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1yaj h ALA 269 CO 0.00 -0.40 0.10 0.82 0.00 0.00 0.00 179.25 179.78 1yaj h ILE 270 N 0.10 1.01 -0.84 0.00 2.04 -1.36 0.91 117.51 119.36 1yaj h ILE 270 Ca 0.26 -0.08 0.07 0.00 1.00 0.00 0.00 64.86 66.12 1yaj h ILE 270 Cb 0.41 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 1yaj h ILE 270 CO -0.45 0.04 0.55 0.74 0.00 0.00 0.00 178.15 179.02 1yaj h THR 271 N 0.22 1.03 -0.03 -0.27 2.02 -0.32 0.38 112.91 115.95 1yaj h THR 271 Ca 0.08 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1yaj h THR 271 Cb 0.01 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.47 1yaj h THR 271 CO -0.05 0.16 0.00 0.00 0.37 0.00 0.00 175.52 176.00 1yaj n ALA 272 N -2.42 2.61 -2.38 6.16 0.00 0.31 -4.88 120.51 119.91 1yaj n ALA 272 Ca 0.13 -0.30 -0.06 0.00 0.00 0.00 0.00 53.44 53.21 1yaj n ALA 272 Cb 0.23 -1.31 0.03 0.00 0.00 0.00 0.00 19.45 18.40 1yaj n ALA 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yaj n GLY 273 N 1.02 0.17 3.39 0.00 0.00 0.13 -5.05 105.19 104.86 1yaj n GLY 273 Ca 0.19 -0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1yaj n GLY 273 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj s LYS 275 N -3.00 4.01 -0.18 0.00 1.02 -1.26 -4.13 119.74 116.20 1yaj s LYS 275 Ca 0.21 1.54 0.13 0.00 0.02 0.00 0.00 55.97 57.87 1yaj s LYS 275 Cb -0.06 -2.43 0.42 0.00 -0.52 0.00 0.00 37.83 35.24 1yaj s LYS 275 CO 0.09 -0.29 1.21 0.25 -0.92 0.00 0.00 175.35 175.70 1yaj n THR 276 N -0.33 1.90 -0.18 2.17 -2.24 -1.26 -4.12 114.28 110.23 1yaj n THR 276 Ca 0.06 -2.92 -0.05 0.00 -2.27 0.00 0.00 64.05 58.87 1yaj n THR 276 Cb 0.50 -0.07 0.05 0.00 -2.10 0.00 0.00 70.33 68.70 1yaj n THR 276 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1yaj h THR 277 N 1.80 1.04 -4.17 4.28 2.02 -1.95 -3.45 112.91 112.48 1yaj h THR 277 Ca -0.03 -0.22 -0.16 0.00 0.77 0.00 0.00 66.41 66.78 1yaj h THR 277 Cb 1.12 0.35 -0.13 0.00 -1.74 0.00 0.00 68.15 67.76 1yaj h THR 277 CO 0.01 0.12 -0.42 0.42 0.37 0.00 0.00 175.52 176.02 1yaj s THR 278 N -6.13 0.02 0.04 3.16 -4.23 -1.26 -5.04 115.64 102.20 1yaj s THR 278 Ca -0.13 -1.71 -0.26 0.00 -1.18 0.00 0.00 61.69 58.41 1yaj s THR 278 Cb 0.13 -2.26 -0.17 0.00 1.34 0.00 0.00 72.50 71.55 1yaj s THR 278 CO 0.74 -0.09 1.48 0.28 -0.54 0.00 0.00 174.62 176.48 1yaj h SER 279 N 2.52 -0.26 -0.40 3.99 0.02 -1.97 -1.45 113.55 116.00 1yaj h SER 279 Ca -0.32 -0.13 0.12 0.00 -0.84 0.00 0.00 61.79 60.62 1yaj h SER 279 Cb 1.24 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.83 1yaj h SER 279 CO 0.47 -0.02 0.46 0.00 -1.14 0.00 0.00 176.83 176.61 1yaj h ALA 280 N 0.23 2.10 0.10 3.77 0.00 -1.97 0.94 119.26 124.42 1yaj h ALA 280 Ca -0.03 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.61 1yaj h ALA 280 Cb 0.37 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.22 1yaj h ALA 280 CO 0.05 -0.67 -1.04 0.28 0.00 0.00 0.00 179.25 177.87 1yaj h VAL 281 N 0.00 1.35 -0.29 0.00 2.07 -1.76 -2.85 116.25 114.77 1yaj h VAL 281 Ca 0.19 -2.39 -0.02 0.00 0.82 0.00 0.00 66.70 65.30 1yaj h VAL 281 Cb 1.11 2.75 -0.01 0.00 -1.52 0.00 0.00 31.29 33.62 1yaj h VAL 281 CO -0.00 0.71 0.08 0.24 0.02 0.00 0.00 177.57 178.62 1yaj h MET 282 N 0.10 0.45 0.22 1.57 0.00 0.20 -1.65 114.93 115.83 1yaj h MET 282 Ca -0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 59.70 59.43 1yaj h MET 282 Cb 1.75 -0.06 0.00 0.00 0.00 0.00 0.00 31.60 33.28 1yaj h MET 282 CO 0.20 0.52 -0.12 0.28 0.00 0.00 0.00 176.91 177.79 1yaj h VAL 283 N 0.30 0.76 0.34 -2.22 2.07 -1.52 0.20 116.25 116.19 1yaj h VAL 283 Ca 0.09 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 1yaj h VAL 283 Cb 0.26 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1yaj h VAL 283 CO -0.00 0.00 -0.42 -0.74 0.02 0.00 0.00 177.57 176.43 1yaj h HIS 284 N -0.32 -1.16 -0.79 1.57 -0.00 -1.53 0.29 115.15 113.22 1yaj h HIS 284 Ca -0.03 0.01 0.16 0.00 -0.00 0.00 0.00 60.37 60.52 1yaj h HIS 284 Cb 0.25 0.46 -0.10 0.00 -0.00 0.00 0.00 27.41 28.02 1yaj h HIS 284 CO -0.07 -0.56 0.31 0.00 -0.00 0.00 0.00 177.93 177.61 1yaj h LEU 286 N 0.42 0.00 -0.38 0.00 3.38 0.18 -2.98 115.31 115.94 1yaj h LEU 286 Ca 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.40 1yaj h LEU 286 Cb 0.73 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 1yaj h LEU 286 CO -0.44 0.00 -0.07 0.03 0.09 0.00 0.00 178.44 178.05 1yaj h ARG 287 N 0.00 0.00 0.07 1.13 3.08 0.25 -3.25 114.38 115.65 1yaj h ARG 287 Ca 0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 1yaj h ARG 287 Cb 0.64 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.71 1yaj h ARG 287 CO 0.00 0.07 -0.71 1.96 -1.07 0.00 0.00 179.97 180.21 1yaj h GLN 288 N 0.00 0.36 -6.22 0.04 1.08 -1.30 -3.47 115.11 105.61 1yaj h GLN 288 Ca -0.00 -0.48 -0.62 0.00 -1.45 0.00 0.00 58.65 56.10 1yaj h GLN 288 Cb 0.92 0.16 0.15 0.00 -0.05 0.00 0.00 27.48 28.66 1yaj h GLN 288 CO 0.01 1.17 -0.54 1.63 -0.95 0.00 0.00 178.83 180.15 1yaj n LYS 289 N -4.17 0.40 -1.70 1.46 4.76 -1.23 -4.95 118.16 112.73 1yaj n LYS 289 Ca -0.12 0.15 -0.30 0.00 -2.87 0.00 0.00 58.31 55.16 1yaj n LYS 289 Cb 0.75 -1.35 0.06 0.00 -1.84 0.00 0.00 35.03 32.66 1yaj n LYS 289 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1yaj s THR 290 N -1.47 3.51 0.25 -0.18 -4.23 -1.26 -4.89 115.64 107.36 1yaj s THR 290 Ca 0.62 0.49 -0.04 0.00 -1.18 0.00 0.00 61.69 61.58 1yaj s THR 290 Cb -0.64 -3.34 0.24 0.00 1.34 0.00 0.00 72.50 70.10 1yaj s THR 290 CO 0.59 -0.64 1.87 -0.08 -0.54 0.00 0.00 174.62 175.82 1yaj h GLU 291 N -0.81 1.05 0.00 3.99 4.81 -1.99 -1.78 114.58 119.85 1yaj h GLU 291 Ca -0.46 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 58.63 1yaj h GLU 291 Cb 1.25 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 1yaj h GLU 291 CO 0.61 0.70 -0.41 0.93 -0.73 0.00 0.00 179.01 180.10 1yaj h GLU 292 N 1.08 0.00 -0.44 1.92 3.07 -1.99 -2.07 114.58 116.16 1yaj h GLU 292 Ca 0.40 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 59.18 1yaj h GLU 292 Cb 0.15 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 1yaj h GLU 292 CO -0.17 0.41 -0.04 0.93 -1.40 0.00 0.00 179.01 178.74 1yaj h GLU 293 N 0.00 0.81 -0.02 2.33 5.08 -1.69 -1.73 114.58 119.36 1yaj h GLU 293 Ca -0.00 -0.28 -0.15 0.00 -1.00 0.00 0.00 59.36 57.93 1yaj h GLU 293 Cb 0.90 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 1yaj h GLU 293 CO 0.05 0.90 -0.67 -0.07 -1.00 0.00 0.00 179.01 178.22 1yaj h LEU 294 N 0.65 0.12 -1.17 1.33 3.38 -1.39 -0.73 115.31 117.50 1yaj h LEU 294 Ca 0.12 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1yaj h LEU 294 Cb 0.56 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1yaj h LEU 294 CO 0.03 0.75 -0.29 0.25 0.09 0.00 0.00 178.44 179.27 1yaj h LEU 295 N 0.07 0.20 -0.06 1.67 5.85 -1.17 0.29 115.31 122.16 1yaj h LEU 295 Ca -0.01 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 1yaj h LEU 295 Cb 1.19 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1yaj h LEU 295 CO 0.09 0.49 -0.20 -0.33 -0.34 0.00 0.00 178.44 178.16 1yaj h GLU 296 N 0.18 0.24 -0.99 1.25 5.08 -1.01 -2.16 114.58 117.16 1yaj h GLU 296 Ca 0.03 -0.18 0.18 0.00 -1.00 0.00 0.00 59.36 58.39 1yaj h GLU 296 Cb 0.61 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.80 1yaj h GLU 296 CO 0.04 0.81 0.61 1.15 -1.00 0.00 0.00 179.01 180.63 1yaj h THR 297 N -0.29 0.73 -0.45 1.13 2.02 -0.63 0.34 112.91 115.77 1yaj h THR 297 Ca -0.01 -0.26 -0.08 0.00 0.77 0.00 0.00 66.41 66.84 1yaj h THR 297 Cb 0.83 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 1yaj h THR 297 CO 0.04 0.14 -0.03 0.74 0.37 0.00 0.00 175.52 176.78 1yaj h THR 298 N 0.75 1.24 0.00 3.16 2.02 -0.26 -2.37 112.91 117.45 1yaj h THR 298 Ca 0.56 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1yaj h THR 298 Cb 0.89 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.23 1yaj h THR 298 CO -0.34 0.36 0.00 -0.07 0.37 0.00 0.00 175.52 175.84 1yaj h LEU 299 N 0.70 0.00 0.11 2.58 3.38 0.30 -3.19 115.31 119.19 1yaj h LEU 299 Ca 0.13 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.84 1yaj h LEU 299 Cb 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1yaj h LEU 299 CO 0.02 0.00 -1.36 0.11 0.09 0.00 0.00 178.44 177.31 1yaj h LYS 300 N 0.00 0.24 -0.52 1.13 1.57 -0.80 -3.31 116.57 114.88 1yaj h LYS 300 Ca 0.00 -0.41 0.15 0.00 -1.87 0.00 0.00 60.65 58.52 1yaj h LYS 300 Cb 0.58 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 1yaj h LYS 300 CO 0.00 1.19 0.38 0.52 -0.57 0.00 0.00 179.45 180.98 1yaj h MET 301 N -0.33 0.00 -5.37 3.15 2.86 -1.45 -3.46 114.93 110.33 1yaj h MET 301 Ca -0.29 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.08 1yaj h MET 301 Cb 1.74 0.00 0.18 0.00 0.06 0.00 0.00 31.60 33.57 1yaj h MET 301 CO 0.06 0.00 -0.78 1.63 1.06 0.00 0.00 176.91 178.88 1yaj n LYS 302 N -4.33 -3.67 -0.20 1.72 5.02 -1.21 -4.98 118.16 110.51 1yaj n LYS 302 Ca 0.09 0.82 0.08 0.00 -2.02 0.00 0.00 58.31 57.28 1yaj n LYS 302 Cb 0.60 -5.64 0.37 0.00 -0.02 0.00 0.00 35.03 30.34 1yaj n LYS 302 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 1yaj h PHE 303 N -1.31 0.76 -0.01 2.13 -1.00 -1.81 -3.14 116.94 112.56 1yaj h PHE 303 Ca -0.57 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.23 1yaj h PHE 303 Cb 1.30 -0.25 0.00 0.00 3.61 0.00 0.00 35.95 40.62 1yaj h PHE 303 CO 0.33 0.37 -0.50 1.28 -1.61 0.00 0.00 178.31 178.18 1yaj n LEU 304 N -4.49 1.15 -4.57 1.54 4.32 -1.25 -3.93 117.00 109.76 1yaj n LEU 304 Ca 0.12 -0.64 -0.41 0.00 -0.02 0.00 0.00 56.01 55.06 1yaj n LEU 304 Cb 0.29 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.06 1yaj n LEU 304 CO 0.33 0.24 1.26 -0.44 -1.22 0.00 0.00 177.39 177.56 1yaj s SER 305 N -2.11 6.10 -0.73 -1.43 0.01 -1.19 -4.34 113.70 110.01 1yaj s SER 305 Ca 0.09 0.27 -0.28 0.00 1.31 0.00 0.00 55.95 57.34 1yaj s SER 305 Cb 0.12 -2.55 -0.14 0.00 0.21 0.00 0.00 66.02 63.66 1yaj s SER 305 CO 0.49 -1.73 2.55 -0.11 0.41 0.00 0.00 173.24 174.85 1yaj n LEU 306 N 9.67 1.36 -4.55 2.44 7.94 -1.00 -4.79 117.00 128.07 1yaj n LEU 306 Ca 0.12 -0.21 -0.19 0.00 -1.11 0.00 0.00 56.01 54.63 1yaj n LEU 306 Cb 0.49 -1.28 -0.08 0.00 0.53 0.00 0.00 43.42 43.09 1yaj n LEU 306 CO 0.71 -1.20 1.47 -0.67 -1.11 0.00 0.00 177.39 176.59 1yaj n ASP 307 N 13.43 1.62 0.00 1.96 2.03 -1.26 -4.81 116.55 129.52 1yaj n ASP 307 Ca 0.51 -1.19 0.00 0.00 0.52 0.00 0.00 54.79 54.63 1yaj n ASP 307 Cb 0.31 -1.55 0.00 0.00 -0.72 0.00 0.00 41.12 39.16 1yaj n ASP 307 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1yaj n LEU 308 N 16.99 0.06 -4.64 -2.67 4.77 -1.26 -4.66 117.00 125.58 1yaj n LEU 308 Ca 0.47 0.58 -0.41 0.00 -0.03 0.00 0.00 56.01 56.62 1yaj n LEU 308 Cb 0.42 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.36 1yaj n LEU 308 CO 0.63 -0.09 0.49 0.00 -1.33 0.00 0.00 177.39 177.08 1yaj s GLN 309 N -1.34 4.16 0.00 3.23 -2.07 -1.26 -4.86 119.66 117.52 1yaj s GLN 309 Ca 0.00 0.72 0.00 0.00 -1.82 0.00 0.00 55.36 54.26 1yaj s GLN 309 Cb 0.00 -3.63 0.00 0.00 -1.09 0.00 0.00 33.01 28.29 1yaj s GLN 309 CO 0.00 -0.41 0.00 0.41 -1.32 0.00 0.00 175.29 173.97 1yaj n GLY 310 N 3.92 -0.54 2.83 2.60 0.00 -1.26 -5.12 105.19 107.62 1yaj n GLY 310 Ca 0.02 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1yaj n GLY 310 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yaj s ASP 311 N -4.00 1.36 0.00 1.61 -1.08 -1.26 -5.09 116.67 108.21 1yaj s ASP 311 Ca 0.00 -0.12 0.00 0.00 -0.52 0.00 0.00 52.55 51.91 1yaj s ASP 311 Cb 0.00 -0.47 0.00 0.00 -1.46 0.00 0.00 42.92 40.99 1yaj s ASP 311 CO 0.00 -0.13 0.69 -2.65 0.52 0.00 0.00 175.17 173.59 1yaj n PRO 312 N 4.68 0.00 -0.39 4.34 -0.02 -1.26 -2.79 135.00 139.56 1yaj n PRO 312 Ca -0.15 0.38 0.34 0.00 -2.02 0.00 0.00 63.50 62.05 1yaj n PRO 312 Cb 0.50 -1.19 0.61 0.00 -0.02 0.00 0.00 33.50 33.41 1yaj n PRO 312 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yaj h ARG 313 N 0.00 0.06 -3.50 -0.52 3.08 -1.95 -2.53 114.38 109.02 1yaj h ARG 313 Ca 0.00 -0.00 -0.79 0.00 0.07 0.00 0.00 59.98 59.26 1yaj h ARG 313 Cb 0.00 -0.01 -0.25 0.00 0.08 0.00 0.00 29.97 29.78 1yaj h ARG 313 CO 0.00 0.04 0.83 0.39 -1.07 0.00 0.00 179.97 180.16 1yaj n GLU 314 N -4.97 3.84 -3.15 0.04 1.02 -1.12 -4.84 120.64 111.47 1yaj n GLU 314 Ca 0.38 -4.33 0.06 0.00 -0.02 0.00 0.00 57.16 53.25 1yaj n GLU 314 Cb 1.35 -2.64 -0.00 0.00 -0.02 0.00 0.00 31.44 30.14 1yaj n GLU 314 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1yaj s SER 315 N 0.45 -0.27 -0.37 1.62 0.15 -0.95 -4.42 113.70 109.90 1yaj s SER 315 Ca 0.33 0.05 -0.22 0.00 0.70 0.00 0.00 55.95 56.82 1yaj s SER 315 Cb -0.02 1.18 0.01 0.00 -1.71 0.00 0.00 66.02 65.47 1yaj s SER 315 CO -0.00 -0.05 0.69 -1.58 1.20 0.00 0.00 173.24 173.51 1yaj s GLN 316 N 2.97 3.66 0.19 5.44 2.00 -1.26 -4.69 119.66 127.97 1yaj s GLN 316 Ca 0.23 0.11 0.24 0.00 -2.00 0.00 0.00 55.36 53.94 1yaj s GLN 316 Cb -0.02 -3.82 0.91 0.00 0.80 0.00 0.00 33.01 30.87 1yaj s GLN 316 CO -0.20 -0.81 1.74 -0.35 -0.50 0.00 0.00 175.29 175.16 1yaj n PRO 317 N 6.22 0.18 0.00 1.67 -0.04 -1.26 -4.87 135.00 136.91 1yaj n PRO 317 Ca 0.00 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 1yaj n PRO 317 Cb 0.48 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 1yaj n PRO 317 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1yaj n LEU 318 N -2.10 0.00 -4.74 1.53 -0.00 -1.25 -3.89 117.00 106.55 1yaj n LEU 318 Ca 0.04 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.63 1yaj n LEU 318 Cb 0.31 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.72 1yaj n LEU 318 CO 0.24 0.00 1.11 0.18 -0.00 0.00 0.00 177.39 178.92 1yaj n LEU 319 N 0.00 4.20 0.00 1.47 4.77 -1.26 -4.95 117.00 121.23 1yaj n LEU 319 Ca 0.00 1.19 0.00 0.00 -0.03 0.00 0.00 56.01 57.17 1yaj n LEU 319 Cb 0.00 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 39.53 1yaj n LEU 319 CO 0.00 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.62 1yaj n GLY 320 N 1.28 5.27 3.77 -0.72 0.00 -1.26 -4.89 105.19 108.64 1yaj n GLY 320 Ca 0.06 -1.58 -0.38 0.00 0.00 0.00 0.00 46.02 44.11 1yaj n GLY 320 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yaj s THR 321 N -0.93 3.00 0.39 2.61 2.01 0.27 -4.75 115.64 118.24 1yaj s THR 321 Ca 0.00 0.83 0.04 0.00 0.31 0.00 0.00 61.69 62.87 1yaj s THR 321 Cb 0.00 -3.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.03 1yaj s THR 321 CO 0.00 0.06 0.16 0.68 -0.69 0.00 0.00 174.62 174.83 1yaj s VAL 322 N -1.41 0.47 -1.13 3.82 -7.23 -1.26 -0.53 120.40 113.12 1yaj s VAL 322 Ca 0.59 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.68 1yaj s VAL 322 Cb -0.32 -2.39 0.27 0.00 0.56 0.00 0.00 36.38 34.50 1yaj s VAL 322 CO 0.40 0.00 1.30 -0.38 -0.31 0.00 0.00 175.10 176.11 1yaj n ILE 323 N -0.84 4.73 -0.02 -0.62 2.08 -1.26 -4.71 119.36 118.72 1yaj n ILE 323 Ca -0.03 -5.40 -0.11 0.00 0.56 0.00 0.00 62.75 57.77 1yaj n ILE 323 Cb 0.64 -2.42 -0.06 0.00 -0.75 0.00 0.00 39.64 37.05 1yaj n ILE 323 CO 0.00 0.00 0.00 -2.24 0.56 0.00 0.00 176.55 174.87 1yaj h ASP 324 N 6.32 0.16 0.00 4.38 -0.00 -1.82 -3.47 116.42 121.98 1yaj h ASP 324 Ca 0.22 -0.17 0.00 0.00 -0.00 0.00 0.00 57.03 57.07 1yaj h ASP 324 Cb 0.79 -0.04 0.00 0.00 -0.00 0.00 0.00 39.33 40.08 1yaj h ASP 324 CO 1.17 0.29 0.00 0.61 -0.00 0.00 0.00 179.24 181.31 1yaj n GLY 325 N -0.66 0.96 0.52 7.15 0.00 -0.05 -4.93 105.19 108.17 1yaj n GLY 325 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 1yaj n GLY 325 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1yaj n MET 326 N -0.45 0.21 -0.09 1.61 2.81 -1.26 -4.79 117.12 115.16 1yaj n MET 326 Ca 0.00 0.08 -0.10 0.00 -1.81 0.00 0.00 57.70 55.87 1yaj n MET 326 Cb 0.00 -0.94 -0.15 0.00 -0.71 0.00 0.00 33.22 31.42 1yaj n MET 326 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1yaj n LEU 327 N -3.25 0.29 -3.81 4.03 7.94 -1.26 -4.75 117.00 116.19 1yaj n LEU 327 Ca -0.18 0.07 -0.16 0.00 -1.11 0.00 0.00 56.01 54.62 1yaj n LEU 327 Cb 0.64 0.37 -0.16 0.00 0.53 0.00 0.00 43.42 44.81 1yaj n LEU 327 CO 0.03 0.50 -0.37 -0.76 -1.11 0.00 0.00 177.39 175.69 1yaj s LEU 328 N -5.65 1.23 0.06 -1.96 1.43 -1.26 -4.39 118.68 108.14 1yaj s LEU 328 Ca -0.10 -0.01 0.22 0.00 -1.03 0.00 0.00 54.13 53.21 1yaj s LEU 328 Cb 0.06 -0.16 -0.19 0.00 0.03 0.00 0.00 46.19 45.94 1yaj s LEU 328 CO 0.82 -0.10 0.71 0.18 0.23 0.00 0.00 176.35 178.19 1yaj n LEU 329 N 4.04 0.40 -3.47 1.79 4.77 -1.26 -0.88 117.00 122.39 1yaj n LEU 329 Ca -0.26 0.16 -0.11 0.00 -0.03 0.00 0.00 56.01 55.77 1yaj n LEU 329 Cb 0.51 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 1yaj n LEU 329 CO 0.23 -0.05 0.50 -1.59 -1.33 0.00 0.00 177.39 175.15 1yaj s LYS 330 N -3.38 1.15 0.26 3.23 -2.85 -1.26 -4.89 119.74 112.01 1yaj s LYS 330 Ca -0.05 -0.44 -0.29 0.00 -1.00 0.00 0.00 55.97 54.19 1yaj s LYS 330 Cb 0.12 0.52 -0.15 0.00 -2.06 0.00 0.00 37.83 36.26 1yaj s LYS 330 CO 0.85 -0.51 1.02 0.25 0.10 0.00 0.00 175.35 177.07 1yaj n THR 331 N -0.34 1.72 -0.32 3.79 -2.24 -1.26 -4.52 114.28 111.11 1yaj n THR 331 Ca -0.14 -0.43 0.20 0.00 -2.27 0.00 0.00 64.05 61.41 1yaj n THR 331 Cb 0.64 -0.91 0.45 0.00 -2.10 0.00 0.00 70.33 68.41 1yaj n THR 331 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1yaj h PRO 332 N 2.29 0.49 -0.83 -0.78 0.11 -1.98 0.27 132.00 131.57 1yaj h PRO 332 Ca -0.40 -0.03 0.21 0.00 0.11 0.00 0.00 66.00 65.90 1yaj h PRO 332 Cb 1.35 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.30 1yaj h PRO 332 CO 0.63 0.32 0.57 0.93 -0.21 0.00 0.00 178.00 180.24 1yaj h GLU 333 N 0.50 0.17 0.00 1.05 3.07 -1.90 -0.67 114.58 116.80 1yaj h GLU 333 Ca 0.59 -0.01 -0.26 0.00 -0.50 0.00 0.00 59.36 59.18 1yaj h GLU 333 Cb 1.30 -0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 29.12 1yaj h GLU 333 CO -0.33 0.11 -2.23 0.39 -1.40 0.00 0.00 179.01 175.56 1yaj n GLU 334 N -4.39 0.78 -0.11 2.33 1.02 0.75 -4.48 120.64 116.54 1yaj n GLU 334 Ca 0.17 -0.06 -0.10 0.00 -0.02 0.00 0.00 57.16 57.15 1yaj n GLU 334 Cb 0.78 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.68 1yaj n GLU 334 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1yaj h LEU 335 N 0.00 0.49 -1.38 -4.62 6.46 0.29 -2.62 115.31 113.93 1yaj h LEU 335 Ca -0.38 -0.21 0.00 0.00 -0.12 0.00 0.00 57.88 57.17 1yaj h LEU 335 Cb 1.86 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 41.66 1yaj h LEU 335 CO 0.02 0.57 0.00 0.00 -0.62 0.00 0.00 178.44 178.41 1yaj n GLN 336 N -4.66 0.89 -0.01 1.25 10.64 -0.39 -2.92 117.38 122.19 1yaj n GLN 336 Ca -0.02 0.00 0.10 0.00 -1.83 0.00 0.00 57.00 55.26 1yaj n GLN 336 Cb 0.17 -1.30 -0.14 0.00 -0.86 0.00 0.00 30.24 28.11 1yaj n GLN 336 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1yaj n ALA 337 N 0.24 3.79 -2.71 2.61 0.00 -0.99 -4.93 120.51 118.52 1yaj n ALA 337 Ca 0.00 -0.56 -0.40 0.00 0.00 0.00 0.00 53.44 52.48 1yaj n ALA 337 Cb 0.31 -0.76 -0.05 0.00 0.00 0.00 0.00 19.45 18.95 1yaj n ALA 337 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1yaj s GLU 338 N -3.26 4.42 -0.08 0.00 -1.05 -1.15 -4.98 118.70 112.61 1yaj s GLU 338 Ca -0.00 0.87 -0.25 0.00 -0.15 0.00 0.00 54.97 55.45 1yaj s GLU 338 Cb 0.15 -3.46 -0.28 0.00 -0.44 0.00 0.00 34.13 30.10 1yaj s GLU 338 CO 0.89 0.02 0.89 -0.09 0.95 0.00 0.00 175.26 177.93 1yaj h ARG 339 N 6.83 0.18 -5.48 -4.83 2.43 -1.92 -3.42 114.38 108.18 1yaj h ARG 339 Ca -0.40 -0.27 -0.12 0.00 -0.81 0.00 0.00 59.98 58.37 1yaj h ARG 339 Cb 1.19 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 1yaj h ARG 339 CO 0.76 1.09 0.35 -0.80 -1.51 0.00 0.00 179.97 179.86 1yaj s ASN 340 N -6.58 4.27 0.05 -3.80 -0.87 -1.26 -4.83 114.94 101.92 1yaj s ASN 340 Ca -0.16 -0.05 -0.27 0.00 -1.57 0.00 0.00 52.86 50.81 1yaj s ASN 340 Cb -0.00 -2.55 0.09 0.00 -0.02 0.00 0.00 41.25 38.77 1yaj s ASN 340 CO 0.77 -3.49 0.75 0.12 -2.57 0.00 0.00 177.10 172.67 1yaj s PHE 341 N 13.30 -0.46 -0.60 2.20 5.36 -1.26 -5.12 117.98 131.40 1yaj s PHE 341 Ca 0.87 0.39 -0.25 0.00 -0.96 0.00 0.00 56.93 56.98 1yaj s PHE 341 Cb -0.12 0.53 0.04 0.00 -0.34 0.00 0.00 43.02 43.13 1yaj s PHE 341 CO 0.07 -0.67 1.04 -1.58 -1.46 0.00 0.00 175.22 172.63 1yaj s HIS 342 N -3.04 2.67 0.29 10.12 5.65 -1.26 -5.03 115.29 124.69 1yaj s HIS 342 Ca 0.01 -0.02 -0.04 0.00 0.25 0.00 0.00 55.06 55.26 1yaj s HIS 342 Cb -0.01 -4.27 -0.05 0.00 -1.18 0.00 0.00 32.58 27.07 1yaj s HIS 342 CO -0.08 -1.54 0.54 0.95 -0.65 0.00 0.00 174.74 173.95 1yaj s THR 343 N 4.40 5.06 0.05 0.89 -4.23 -1.26 -5.05 115.64 115.50 1yaj s THR 343 Ca 0.32 -0.07 -0.06 0.00 -1.18 0.00 0.00 61.69 60.70 1yaj s THR 343 Cb -0.12 -3.75 -0.01 0.00 1.34 0.00 0.00 72.50 69.96 1yaj s THR 343 CO 0.18 -0.35 0.12 0.68 -0.54 0.00 0.00 174.62 174.71 1yaj s VAL 344 N -2.11 0.14 -0.24 2.29 -7.23 -1.26 -5.07 120.40 106.92 1yaj s VAL 344 Ca 0.43 -1.12 -0.34 0.00 -1.81 0.00 0.00 61.98 59.14 1yaj s VAL 344 Cb -0.11 -1.00 -0.11 0.00 0.56 0.00 0.00 36.38 35.73 1yaj s VAL 344 CO 0.31 -0.62 2.07 -2.65 -0.31 0.00 0.00 175.10 173.90 1yaj n PRO 345 N 0.60 1.60 -4.90 4.82 -0.02 -1.26 -4.69 135.00 131.16 1yaj n PRO 345 Ca -0.18 0.51 -0.33 0.00 -2.02 0.00 0.00 63.50 61.48 1yaj n PRO 345 Cb 0.59 -2.64 -0.15 0.00 -0.02 0.00 0.00 33.50 31.29 1yaj n PRO 345 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1yaj s TYR 346 N 6.21 2.73 -0.51 6.00 6.04 -0.46 -1.25 117.35 136.10 1yaj s TYR 346 Ca 1.02 -0.58 0.03 0.00 0.04 0.00 0.00 57.07 57.58 1yaj s TYR 346 Cb -0.73 -1.76 0.14 0.00 -1.04 0.00 0.00 41.96 38.57 1yaj s TYR 346 CO 0.49 -0.14 0.27 1.41 -1.54 0.00 0.00 175.55 176.04 1yaj s MET 347 N 0.05 1.79 0.37 4.97 -2.45 0.65 -1.80 119.30 122.90 1yaj s MET 347 Ca -0.06 -2.49 -0.20 0.00 -1.25 0.00 0.00 55.69 51.69 1yaj s MET 347 Cb -0.15 -3.01 -0.10 0.00 1.25 0.00 0.00 34.83 32.83 1yaj s MET 347 CO 0.05 -1.14 0.88 0.08 1.05 0.00 0.00 175.02 175.93 1yaj s VAL 348 N -0.19 4.45 0.26 10.11 1.01 -0.45 -3.13 120.40 132.46 1yaj s VAL 348 Ca 0.18 1.38 -0.13 0.00 0.00 0.00 0.00 61.98 63.40 1yaj s VAL 348 Cb -0.23 -3.67 -0.00 0.00 0.00 0.00 0.00 36.38 32.47 1yaj s VAL 348 CO -0.01 -0.19 0.51 -0.83 0.00 0.00 0.00 175.10 174.57 1yaj s GLY 349 N -2.10 0.50 0.25 4.51 0.00 -0.44 -2.88 107.32 107.16 1yaj s GLY 349 Ca 0.57 -0.84 -0.13 0.00 0.00 0.00 0.00 44.72 44.32 1yaj s GLY 349 CO 0.16 -0.58 0.49 -0.26 0.00 0.00 0.00 173.10 172.91 1yaj s ILE 350 N -3.95 0.00 0.09 0.90 -4.36 -0.82 -2.32 121.20 110.74 1yaj s ILE 350 Ca 0.21 -1.39 0.07 0.00 -0.26 0.00 0.00 60.65 59.28 1yaj s ILE 350 Cb -0.01 -2.20 -0.04 0.00 1.25 0.00 0.00 42.46 41.46 1yaj s ILE 350 CO 0.09 0.00 -0.11 0.20 0.24 0.00 0.00 174.94 175.36 1yaj s ASN 351 N -3.01 4.34 0.00 4.36 0.02 -1.26 -0.96 114.94 118.42 1yaj s ASN 351 Ca 0.22 -0.37 0.00 0.00 -1.02 0.00 0.00 52.86 51.69 1yaj s ASN 351 Cb -0.01 -0.83 0.00 0.00 0.02 0.00 0.00 41.25 40.43 1yaj s ASN 351 CO 0.09 0.20 0.68 1.17 0.02 0.00 0.00 177.10 179.26 1yaj n LYS 352 N 0.90 0.00 -3.63 -0.60 3.00 -0.49 -3.37 118.16 113.96 1yaj n LYS 352 Ca -0.14 0.68 -0.38 0.00 -0.00 0.00 0.00 58.31 58.47 1yaj n LYS 352 Cb 0.52 -1.04 -0.07 0.00 0.00 0.00 0.00 35.03 34.44 1yaj n LYS 352 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1yaj s GLN 353 N -2.75 2.98 0.05 1.64 -0.21 -0.67 -4.97 119.66 115.74 1yaj s GLN 353 Ca 0.00 -2.81 -0.29 0.00 0.02 0.00 0.00 55.36 52.28 1yaj s GLN 353 Cb 0.00 -3.91 -0.15 0.00 1.00 0.00 0.00 33.01 29.94 1yaj s GLN 353 CO 0.00 -1.22 1.43 0.93 -2.12 0.00 0.00 175.29 174.31 1yaj h GLU 354 N 6.74 -0.95 -2.33 2.91 4.39 -1.72 -2.86 114.58 120.77 1yaj h GLU 354 Ca 0.07 0.07 -0.55 0.00 0.34 0.00 0.00 59.36 59.28 1yaj h GLU 354 Cb 0.91 0.22 -0.11 0.00 -0.10 0.00 0.00 28.75 29.66 1yaj h GLU 354 CO 0.77 -0.64 1.37 0.34 -1.16 0.00 0.00 179.01 179.69 1yaj n PHE 355 N -4.80 1.75 -0.09 4.33 -0.00 -1.26 -3.38 117.46 114.02 1yaj n PHE 355 Ca -0.12 -2.30 -0.16 0.00 -0.00 0.00 0.00 57.45 54.86 1yaj n PHE 355 Cb 0.40 -1.71 -0.11 0.00 -0.00 0.00 0.00 39.48 38.06 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 5.04 0.00 0.00 7.13 0.00 -1.80 -3.44 103.07 110.00 1yaj h GLY 356 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 1yaj h GLY 356 CO 1.08 0.00 0.00 1.87 0.00 0.00 0.00 176.54 179.49 1yaj n TRP 357 N -4.54 -3.14 -0.32 5.60 -0.00 -1.26 -4.90 117.44 108.89 1yaj n TRP 357 Ca -0.20 0.81 -0.06 0.00 -0.00 0.00 0.00 57.50 58.05 1yaj n TRP 357 Cb 0.53 1.74 -0.04 0.00 -0.00 0.00 0.00 31.31 33.54 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 -3.37 -0.72 -0.02 5.87 7.94 -1.26 -1.30 117.00 124.14 1yaj n LEU 358 Ca 0.00 1.38 -0.16 0.00 -1.11 0.00 0.00 56.01 56.12 1yaj n LEU 358 Cb 0.00 -0.22 -0.05 0.00 0.53 0.00 0.00 43.42 43.67 1yaj n LEU 358 CO 0.00 -1.16 0.29 0.40 -1.11 0.00 0.00 177.39 175.81 1yaj h ILE 359 N 0.00 1.29 -0.42 1.96 2.04 -1.94 -2.58 117.51 117.86 1yaj h ILE 359 Ca 0.17 -1.97 -0.04 0.00 1.00 0.00 0.00 64.86 64.02 1yaj h ILE 359 Cb 0.37 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 1yaj h ILE 359 CO -0.75 0.62 0.09 -0.65 0.00 0.00 0.00 178.15 177.46 1yaj h PRO 360 N 0.52 0.63 0.03 2.37 0.11 -1.66 -0.86 132.00 133.14 1yaj h PRO 360 Ca -0.04 -0.12 -0.00 0.00 0.11 0.00 0.00 66.00 65.95 1yaj h PRO 360 Cb 1.37 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1yaj h PRO 360 CO 0.15 0.59 -0.02 1.98 -0.21 0.00 0.00 178.00 180.50 1yaj h MET 361 N 0.62 -0.04 -0.75 1.05 1.85 -1.25 -0.91 114.93 115.50 1yaj h MET 361 Ca 0.14 0.00 0.01 0.00 -0.61 0.00 0.00 59.70 59.25 1yaj h MET 361 Cb 0.26 0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.26 1yaj h MET 361 CO -0.00 0.59 0.50 -0.07 -0.40 0.00 0.00 176.91 177.52 1yaj h LEU 363 N -0.74 0.84 -0.33 3.39 3.38 -1.37 -1.40 115.31 119.08 1yaj h LEU 363 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1yaj h LEU 363 Cb 0.65 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1yaj h LEU 363 CO 0.01 0.60 -0.05 0.23 0.09 0.00 0.00 178.44 179.32 1yaj n MET 364 N -4.43 1.00 -3.02 1.13 2.81 -0.34 -4.78 117.12 109.49 1yaj n MET 364 Ca 0.09 -0.33 -0.14 0.00 -1.81 0.00 0.00 57.70 55.50 1yaj n MET 364 Cb 0.06 -1.49 0.01 0.00 -0.71 0.00 0.00 33.22 31.09 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 -0.71 -7.38 -4.89 7.83 7.64 -0.53 -2.38 113.62 113.20 1yaj n SER 365 Ca 0.18 0.31 -0.29 0.00 1.01 0.00 0.00 58.87 60.08 1yaj n SER 365 Cb 0.25 -4.56 -0.03 0.00 -1.01 0.00 0.00 64.21 58.85 1yaj n SER 365 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1yaj s TYR 366 N -2.43 3.47 -2.00 1.43 1.51 -0.39 -4.73 117.35 114.21 1yaj s TYR 366 Ca 0.25 0.79 0.12 0.00 -1.01 0.00 0.00 57.07 57.22 1yaj s TYR 366 Cb -0.06 -2.22 0.71 0.00 -0.11 0.00 0.00 41.96 40.28 1yaj s TYR 366 CO 0.79 0.11 1.14 -2.30 -1.11 0.00 0.00 175.55 174.18 1yaj n PRO 367 N -0.93 0.49 -0.38 -1.71 -0.02 -1.26 -4.52 135.00 126.67 1yaj n PRO 367 Ca -0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.40 1yaj n PRO 367 Cb 0.54 -1.38 -0.04 0.00 -0.02 0.00 0.00 33.50 32.60 1yaj n PRO 367 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1yaj n LEU 368 N -0.88 2.26 0.08 2.45 4.77 -1.26 -4.46 117.00 119.97 1yaj n LEU 368 Ca 0.09 -1.72 -0.04 0.00 -0.03 0.00 0.00 56.01 54.31 1yaj n LEU 368 Cb 0.04 -0.64 -0.02 0.00 -2.33 0.00 0.00 43.42 40.47 1yaj n LEU 368 CO 0.07 0.06 0.14 0.77 -1.33 0.00 0.00 177.39 177.10 1yaj h SER 369 N 5.92 -0.22 0.00 -1.43 4.64 -1.88 -3.24 113.55 117.34 1yaj h SER 369 Ca 0.17 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1yaj h SER 369 Cb 0.32 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1yaj h SER 369 CO 0.80 0.10 0.42 -0.62 -0.87 0.00 0.00 176.83 176.66 1yaj n GLU 370 N -4.14 0.04 -0.74 4.77 -0.58 -1.26 -4.65 120.64 114.09 1yaj n GLU 370 Ca -0.03 0.41 0.00 0.00 -0.42 0.00 0.00 57.16 57.12 1yaj n GLU 370 Cb 0.10 -2.05 0.00 0.00 -0.57 0.00 0.00 31.44 28.92 1yaj n GLU 370 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1yaj n GLY 371 N -1.24 0.99 3.49 0.62 0.00 -1.22 -4.95 105.19 102.88 1yaj n GLY 371 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1yaj n GLY 371 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1yaj s GLN 372 N -0.21 1.78 -0.16 1.61 -2.07 -1.26 -4.75 119.66 114.59 1yaj s GLN 372 Ca 0.00 -2.03 -0.29 0.00 -1.82 0.00 0.00 55.36 51.22 1yaj s GLN 372 Cb 0.00 -0.84 0.11 0.00 -1.09 0.00 0.00 33.01 31.19 1yaj s GLN 372 CO 0.00 -0.29 0.90 -1.17 -1.32 0.00 0.00 175.29 173.41 1yaj s LEU 373 N -3.55 -0.49 0.21 2.60 2.96 0.37 -4.84 118.68 115.94 1yaj s LEU 373 Ca 0.31 0.66 0.11 0.00 -0.22 0.00 0.00 54.13 54.99 1yaj s LEU 373 Cb 0.06 2.10 -0.05 0.00 0.50 0.00 0.00 46.19 48.81 1yaj s LEU 373 CO 0.14 -0.37 -0.21 1.51 -1.32 0.00 0.00 176.35 176.11 1yaj s ASP 374 N -0.75 3.21 0.17 3.68 -4.77 -1.26 -4.38 116.67 112.58 1yaj s ASP 374 Ca -0.03 -0.93 -0.26 0.00 -3.30 0.00 0.00 52.55 48.03 1yaj s ASP 374 Cb -0.02 -0.23 0.03 0.00 -1.09 0.00 0.00 42.92 41.61 1yaj s ASP 374 CO 0.02 0.03 1.55 1.56 0.70 0.00 0.00 175.17 179.04 1yaj h GLN 375 N 2.90 -0.14 0.00 2.11 4.20 -1.97 0.28 115.11 122.48 1yaj h GLN 375 Ca -0.43 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.29 1yaj h GLN 375 Cb 1.22 0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.04 1yaj h GLN 375 CO 0.53 -0.09 0.09 1.17 -0.67 0.00 0.00 178.83 179.86 1yaj n LYS 376 N -5.37 0.09 -0.07 1.46 4.81 -1.26 -0.82 118.16 117.00 1yaj n LYS 376 Ca 0.03 0.56 -0.07 0.00 -0.87 0.00 0.00 58.31 57.96 1yaj n LYS 376 Cb 0.33 -1.88 -0.10 0.00 0.02 0.00 0.00 35.03 33.40 1yaj n LYS 376 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1yaj n THR 377 N -1.98 0.92 -0.03 3.15 -1.04 0.66 -4.18 114.28 111.78 1yaj n THR 377 Ca -0.01 -0.53 -0.10 0.00 -2.04 0.00 0.00 64.05 61.37 1yaj n THR 377 Cb 0.11 -0.72 0.04 0.00 -1.82 0.00 0.00 70.33 67.95 1yaj n THR 377 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1yaj h ALA 378 N 0.55 0.69 -0.01 2.41 0.00 0.43 -1.38 119.26 121.96 1yaj h ALA 378 Ca -0.36 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.00 1yaj h ALA 378 Cb 1.78 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 1yaj h ALA 378 CO 0.01 0.67 -0.26 1.98 0.00 0.00 0.00 179.25 181.65 1yaj h MET 379 N 0.52 0.01 0.00 0.00 -1.53 -1.20 -2.30 114.93 110.43 1yaj h MET 379 Ca 0.03 -0.00 -0.14 0.00 -3.44 0.00 0.00 59.70 56.14 1yaj h MET 379 Cb 1.04 -0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 32.06 1yaj h MET 379 CO 0.10 0.27 -0.76 1.03 0.14 0.00 0.00 176.91 177.69 1yaj h SER 380 N 0.01 0.00 0.41 1.39 0.87 -1.63 -3.30 113.55 111.30 1yaj h SER 380 Ca -0.00 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.38 1yaj h SER 380 Cb 0.47 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 1yaj h SER 380 CO 0.03 0.63 -0.77 -0.07 -0.53 0.00 0.00 176.83 176.12 1yaj h LEU 381 N 0.00 0.35 -1.47 2.23 3.38 -0.74 -3.12 115.31 115.94 1yaj h LEU 381 Ca -0.03 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 1yaj h LEU 381 Cb 1.51 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 1yaj h LEU 381 CO 0.08 0.99 -0.27 0.25 0.09 0.00 0.00 178.44 179.58 1yaj h LEU 382 N 0.18 0.00 0.53 1.67 5.85 -1.51 -1.20 115.31 120.83 1yaj h LEU 382 Ca -0.03 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1yaj h LEU 382 Cb 1.35 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.39 1yaj h LEU 382 CO 0.12 0.27 -0.26 -0.25 -0.34 0.00 0.00 178.44 177.98 1yaj h TRP 383 N 0.00 -0.67 -0.24 1.25 -0.00 -1.64 -2.98 115.95 111.68 1yaj h TRP 383 Ca -0.00 -0.02 0.07 0.00 -0.00 0.00 0.00 58.89 58.94 1yaj h TRP 383 Cb 0.54 0.22 -0.01 0.00 -0.00 0.00 0.00 29.16 29.91 1yaj h TRP 383 CO 0.00 -0.41 0.27 0.87 -0.00 0.00 0.00 178.44 179.17 1yaj h LYS 384 N -1.16 0.00 -0.10 2.65 1.57 -1.51 0.68 116.57 118.70 1yaj h LYS 384 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1yaj h LYS 384 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1yaj h LYS 384 CO 0.12 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.43 1yaj n SER 385 N -3.74 0.58 -0.32 0.86 7.64 -0.46 -4.38 113.62 113.79 1yaj n SER 385 Ca 0.03 -1.86 0.14 0.00 1.01 0.00 0.00 58.87 58.19 1yaj n SER 385 Cb 0.41 -0.06 0.29 0.00 -1.01 0.00 0.00 64.21 63.83 1yaj n SER 385 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1yaj h TYR 386 N 0.67 0.05 0.00 1.43 3.20 0.54 0.15 116.97 123.01 1yaj h TYR 386 Ca 0.00 0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 1yaj h TYR 386 Cb 0.15 0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.55 1yaj h TYR 386 CO 0.06 -0.38 -0.02 -1.00 -1.64 0.00 0.00 178.16 175.18 1yaj h PRO 387 N 0.05 0.00 0.01 1.82 0.13 -1.83 1.01 132.00 133.19 1yaj h PRO 387 Ca 0.58 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.49 1yaj h PRO 387 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1yaj h PRO 387 CO -0.85 0.02 -1.19 -0.07 -0.23 0.00 0.00 178.00 175.68 1yaj h LEU 388 N 0.00 0.04 0.00 1.56 3.38 -1.05 -3.40 115.31 115.84 1yaj h LEU 388 Ca -0.00 -0.60 -0.12 0.00 0.09 0.00 0.00 57.88 57.25 1yaj h LEU 388 Cb 0.18 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1yaj h LEU 388 CO 0.00 1.47 -1.92 1.33 0.09 0.00 0.00 178.44 179.41 1yaj n VAL 389 N -4.37 0.59 -3.79 1.22 0.24 -0.96 -4.26 118.33 107.00 1yaj n VAL 389 Ca -0.30 -0.63 -0.23 0.00 -2.04 0.00 0.00 64.34 61.15 1yaj n VAL 389 Cb 0.69 -0.26 0.02 0.00 -1.47 0.00 0.00 33.84 32.83 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 -3.71 5.11 0.76 0.00 1.01 -1.26 -5.07 121.20 118.05 1yaj s ILE 391 Ca 0.06 0.07 -0.15 0.00 0.00 0.00 0.00 60.65 60.63 1yaj s ILE 391 Cb -0.03 -3.45 0.05 0.00 0.01 0.00 0.00 42.46 39.04 1yaj s ILE 391 CO 0.83 0.24 1.15 0.00 0.00 0.00 0.00 174.94 177.16 1yaj n ALA 392 N 5.04 0.07 -0.09 9.38 0.00 -1.26 -4.88 120.51 128.77 1yaj n ALA 392 Ca -0.14 -0.25 -0.10 0.00 0.00 0.00 0.00 53.44 52.95 1yaj n ALA 392 Cb 0.52 -2.22 -0.02 0.00 0.00 0.00 0.00 19.45 17.72 1yaj n ALA 392 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1yaj h LYS 393 N -0.53 0.41 -1.81 0.00 3.64 -1.98 -2.88 116.57 113.43 1yaj h LYS 393 Ca -0.47 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1yaj h LYS 393 Cb 1.31 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1yaj h LYS 393 CO 0.47 0.38 0.00 -0.85 -2.27 0.00 0.00 179.45 177.18 1yaj n GLU 394 N -4.80 0.26 0.00 1.90 0.28 -1.26 -1.81 120.64 115.21 1yaj n GLU 394 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.98 1yaj n GLU 394 Cb 0.09 -1.37 0.00 0.00 1.43 0.00 0.00 31.44 31.60 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 1.14 0.00 -0.29 -1.84 4.77 -1.09 -4.93 117.00 114.77 1yaj n LEU 395 Ca 0.00 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.04 1yaj n LEU 395 Cb 0.13 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.39 1yaj n LEU 395 CO 0.00 0.00 0.77 0.40 -1.33 0.00 0.00 177.39 177.23 1yaj h ILE 396 N 0.00 0.21 -0.67 -0.08 1.08 -1.36 0.17 117.51 116.85 1yaj h ILE 396 Ca 0.00 -0.02 0.04 0.00 -0.39 0.00 0.00 64.86 64.50 1yaj h ILE 396 Cb 0.00 0.16 -0.05 0.00 -3.07 0.00 0.00 36.82 33.86 1yaj h ILE 396 CO 0.00 0.01 0.40 -0.65 -0.69 0.00 0.00 178.15 177.22 1yaj h PRO 397 N 0.05 0.74 0.00 2.37 0.11 -1.92 0.45 132.00 133.80 1yaj h PRO 397 Ca 0.45 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.43 1yaj h PRO 397 Cb 0.79 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.72 1yaj h PRO 397 CO -0.79 0.49 -0.39 1.49 -0.21 0.00 0.00 178.00 178.59 1yaj h GLU 398 N 0.77 0.00 0.05 1.05 4.81 -1.13 -0.89 114.58 119.24 1yaj h GLU 398 Ca 0.28 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.25 1yaj h GLU 398 Cb 0.09 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1yaj h GLU 398 CO -0.14 0.39 -1.37 0.00 -0.73 0.00 0.00 179.01 177.16 1yaj h ALA 399 N 1.61 0.40 0.08 2.92 0.00 -0.01 -3.24 119.26 121.02 1yaj h ALA 399 Ca -0.00 -1.11 -0.00 0.00 0.00 0.00 0.00 54.91 53.79 1yaj h ALA 399 Cb 0.70 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1yaj h ALA 399 CO 0.05 1.27 -0.04 1.15 0.00 0.00 0.00 179.25 181.68 1yaj h THR 400 N 0.03 1.16 -0.07 0.00 2.02 0.01 -3.14 112.91 112.92 1yaj h THR 400 Ca -0.17 -1.34 0.02 0.00 0.77 0.00 0.00 66.41 65.69 1yaj h THR 400 Cb 1.93 1.96 -0.00 0.00 -1.74 0.00 0.00 68.15 70.30 1yaj h THR 400 CO 0.13 0.31 0.25 -0.08 0.37 0.00 0.00 175.52 176.50 1yaj h GLU 401 N -0.78 0.00 0.19 6.66 4.57 -1.32 -1.41 114.58 122.49 1yaj h GLU 401 Ca -0.01 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 57.89 1yaj h GLU 401 Cb 0.59 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 29.21 1yaj h GLU 401 CO 0.02 0.00 -1.20 -0.22 -1.18 0.00 0.00 179.01 176.43 1yaj h LYS 402 N 0.00 0.48 0.00 1.92 1.63 -1.57 -3.16 116.57 115.88 1yaj h LYS 402 Ca 0.03 -0.77 -0.15 0.00 -0.85 0.00 0.00 60.65 58.91 1yaj h LYS 402 Cb 0.54 0.28 -0.02 0.00 -0.60 0.00 0.00 32.23 32.42 1yaj h LYS 402 CO -0.00 1.36 -1.07 0.66 -3.45 0.00 0.00 179.45 176.95 1yaj n TYR 403 N -3.88 0.85 0.42 1.91 4.02 -0.81 -4.51 117.16 115.18 1yaj n TYR 403 Ca -0.15 0.37 0.12 0.00 -0.01 0.00 0.00 57.90 58.23 1yaj n TYR 403 Cb 0.98 -0.94 0.26 0.00 -0.02 0.00 0.00 39.34 39.62 1yaj n TYR 403 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1yaj h LEU 404 N -1.00 0.00 -0.34 7.72 4.07 -1.53 -3.29 115.31 120.95 1yaj h LEU 404 Ca -0.23 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.71 1yaj h LEU 404 Cb 1.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.75 1yaj h LEU 404 CO -0.14 0.01 0.03 0.61 -1.08 0.00 0.00 178.44 177.88 1yaj n GLY 405 N 1.22 -0.56 0.00 0.83 0.00 -1.19 -3.64 105.19 101.85 1yaj n GLY 405 Ca 0.04 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1yaj n GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yaj n GLY 406 N -1.43 -3.01 3.87 -0.02 0.00 -1.24 -4.89 105.19 98.48 1yaj n GLY 406 Ca -0.00 0.23 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 1yaj n GLY 406 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1yaj n THR 407 N -0.58 0.00 0.54 2.61 -2.24 -1.24 -5.06 114.28 108.32 1yaj n THR 407 Ca 0.00 -2.08 0.06 0.00 -2.27 0.00 0.00 64.05 59.75 1yaj n THR 407 Cb 0.00 -0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 67.97 1yaj n THR 407 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1yaj n ASP 408 N -2.05 1.05 -4.58 3.42 -0.08 -1.26 -4.89 116.55 108.16 1yaj n ASP 408 Ca 0.06 -1.02 -0.40 0.00 -1.51 0.00 0.00 54.79 51.91 1yaj n ASP 408 Cb 0.62 0.67 -0.03 0.00 2.34 0.00 0.00 41.12 44.72 1yaj n ASP 408 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1yaj s ASP 409 N -1.75 5.10 0.61 1.67 -1.08 -1.26 -4.83 116.67 115.14 1yaj s ASP 409 Ca 0.08 1.45 0.26 0.00 -0.52 0.00 0.00 52.55 53.82 1yaj s ASP 409 Cb 0.09 -2.51 1.19 0.00 -1.46 0.00 0.00 42.92 40.23 1yaj s ASP 409 CO 0.37 -2.31 1.62 0.71 0.52 0.00 0.00 175.17 176.08 1yaj h THR 410 N 7.31 0.16 0.21 1.71 1.35 -1.93 0.37 112.91 122.08 1yaj h THR 410 Ca -0.33 0.00 -0.31 0.00 -0.55 0.00 0.00 66.41 65.22 1yaj h THR 410 Cb 1.24 0.35 0.02 0.00 -1.73 0.00 0.00 68.15 68.03 1yaj h THR 410 CO 1.05 0.00 -1.43 0.58 -0.25 0.00 0.00 175.52 175.47 1yaj h VAL 411 N 0.00 1.20 -0.30 6.82 2.07 -1.85 0.11 116.25 124.29 1yaj h VAL 411 Ca 0.28 -2.59 -0.08 0.00 0.82 0.00 0.00 66.70 65.13 1yaj h VAL 411 Cb 1.84 2.97 -0.02 0.00 -1.52 0.00 0.00 31.29 34.56 1yaj h VAL 411 CO -0.00 0.80 -0.17 0.11 0.02 0.00 0.00 177.57 178.32 1yaj h LYS 412 N 0.00 0.54 0.00 1.57 1.57 -1.31 -1.80 116.57 117.14 1yaj h LYS 412 Ca -0.27 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1yaj h LYS 412 Cb 2.02 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 34.29 1yaj h LYS 412 CO 0.21 0.69 -0.02 0.87 -0.57 0.00 0.00 179.45 180.63 1yaj h LYS 413 N 0.49 0.00 0.23 3.15 1.57 -1.48 0.20 116.57 120.74 1yaj h LYS 413 Ca 0.08 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1yaj h LYS 413 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1yaj h LYS 413 CO 0.04 0.02 -0.11 -0.22 -0.57 0.00 0.00 179.45 178.60 1yaj h LYS 414 N 0.00 -0.30 -0.61 3.15 3.64 -1.37 -0.43 116.57 120.65 1yaj h LYS 414 Ca -0.00 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.51 1yaj h LYS 414 Cb 0.04 0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 31.84 1yaj h LYS 414 CO 0.00 0.04 0.17 -0.44 -2.27 0.00 0.00 179.45 176.96 1yaj h ASP 415 N -0.95 0.10 -0.42 4.20 3.32 -1.07 0.75 116.42 122.35 1yaj h ASP 415 Ca -0.03 0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 1yaj h ASP 415 Cb 0.48 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 1yaj h ASP 415 CO 0.05 0.06 0.05 -0.07 -1.72 0.00 0.00 179.24 177.61 1yaj h LEU 416 N 0.32 0.75 -0.42 1.55 3.38 -0.66 0.70 115.31 120.93 1yaj h LEU 416 Ca 0.32 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 1yaj h LEU 416 Cb 0.45 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1yaj h LEU 416 CO -0.37 0.79 -0.04 0.15 0.09 0.00 0.00 178.44 179.06 1yaj h PHE 417 N 0.75 0.85 -0.66 1.13 3.57 0.98 0.24 116.94 123.81 1yaj h PHE 417 Ca 0.15 -0.16 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1yaj h PHE 417 Cb 0.38 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 1yaj h PHE 417 CO 0.02 0.86 0.41 -0.07 -2.23 0.00 0.00 178.31 177.30 1yaj h LEU 418 N 0.60 0.77 -0.27 0.59 3.38 0.84 -0.81 115.31 120.42 1yaj h LEU 418 Ca 0.11 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1yaj h LEU 418 Cb 0.55 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1yaj h LEU 418 CO 0.03 0.58 0.03 0.44 0.09 0.00 0.00 178.44 179.61 1yaj h ASP 419 N 0.90 0.44 -0.63 -0.43 3.32 -0.17 -2.16 116.42 117.69 1yaj h ASP 419 Ca 0.24 -0.28 0.08 0.00 0.02 0.00 0.00 57.03 57.09 1yaj h ASP 419 Cb -0.06 -0.12 -0.10 0.00 0.22 0.00 0.00 39.33 39.27 1yaj h ASP 419 CO -0.05 0.61 -0.52 0.25 -1.72 0.00 0.00 179.24 177.81 1yaj h LEU 420 N 0.26 -1.80 -0.08 1.55 7.12 0.88 0.23 115.31 123.47 1yaj h LEU 420 Ca 0.08 0.27 0.03 0.00 0.13 0.00 0.00 57.88 58.39 1yaj h LEU 420 Cb 0.36 0.78 -0.04 0.00 -0.53 0.00 0.00 40.66 41.24 1yaj h LEU 420 CO 0.01 -0.34 -0.14 0.40 -0.13 0.00 0.00 178.44 178.24 1yaj h ILE 421 N -0.23 0.63 -0.39 4.05 2.04 -1.24 -2.56 117.51 119.81 1yaj h ILE 421 Ca 0.14 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.05 1yaj h ILE 421 Cb 0.54 0.63 -0.08 0.00 -0.74 0.00 0.00 36.82 37.17 1yaj h ILE 421 CO -0.73 0.00 -0.53 0.00 0.00 0.00 0.00 178.15 176.89 1yaj h ALA 422 N 0.83 -0.73 -0.79 1.87 0.00 0.02 0.56 119.26 121.03 1yaj h ALA 422 Ca 0.08 0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.12 1yaj h ALA 422 Cb 0.30 1.08 -0.06 0.00 0.00 0.00 0.00 17.79 19.11 1yaj h ALA 422 CO -0.20 -1.02 0.52 -0.44 0.00 0.00 0.00 179.25 178.11 1yaj h ASP 423 N -0.40 0.54 0.36 0.00 5.19 -0.79 0.59 116.42 121.90 1yaj h ASP 423 Ca 0.08 0.02 -0.26 0.00 -0.62 0.00 0.00 57.03 56.26 1yaj h ASP 423 Cb 0.60 -0.08 0.01 0.00 0.18 0.00 0.00 39.33 40.04 1yaj h ASP 423 CO -0.58 0.29 -1.12 0.58 -3.12 0.00 0.00 179.24 175.30 1yaj h VAL 424 N 0.58 1.39 0.03 -1.35 2.07 -0.80 0.66 116.25 118.84 1yaj h VAL 424 Ca 0.38 -2.62 -0.14 0.00 0.82 0.00 0.00 66.70 65.14 1yaj h VAL 424 Cb 0.66 2.65 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 1yaj h VAL 424 CO -0.14 0.78 -0.75 0.24 0.02 0.00 0.00 177.57 177.72 1yaj h MET 425 N 0.20 0.06 0.00 1.57 2.86 -0.38 -3.42 114.93 115.82 1yaj h MET 425 Ca -0.13 -0.10 -0.11 0.00 -2.06 0.00 0.00 59.70 57.30 1yaj h MET 425 Cb 1.79 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 33.46 1yaj h MET 425 CO 0.20 1.05 -1.43 1.19 1.06 0.00 0.00 176.91 178.98 1yaj n PHE 426 N -4.40 0.00 0.00 -0.22 3.01 0.18 -4.51 117.46 111.53 1yaj n PHE 426 Ca -0.21 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.25 1yaj n PHE 426 Cb 0.65 -0.30 0.00 0.00 -0.01 0.00 0.00 39.48 39.81 1yaj n PHE 426 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yaj n GLY 427 N 2.76 -1.98 0.25 1.37 0.00 0.12 -2.28 105.19 105.44 1yaj n GLY 427 Ca -0.11 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.94 1yaj n GLY 427 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1yaj n VAL 428 N 0.00 -0.31 0.04 1.61 0.31 0.23 -1.81 118.33 118.40 1yaj n VAL 428 Ca 0.00 1.57 -0.06 0.00 -0.01 0.00 0.00 64.34 65.84 1yaj n VAL 428 Cb 0.00 -2.15 -0.04 0.00 -0.91 0.00 0.00 33.84 30.74 1yaj n VAL 428 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1yaj h PRO 429 N 0.00 -0.28 -1.47 5.55 0.11 -1.70 -1.12 132.00 133.09 1yaj h PRO 429 Ca 0.30 0.02 0.43 0.00 0.11 0.00 0.00 66.00 66.86 1yaj h PRO 429 Cb 0.47 0.06 -0.06 0.00 0.11 0.00 0.00 31.00 31.59 1yaj h PRO 429 CO -0.70 -0.19 1.19 0.77 -0.21 0.00 0.00 178.00 178.87 1yaj h SER 430 N -0.29 0.00 0.00 -2.05 0.02 -0.92 0.16 113.55 110.47 1yaj h SER 430 Ca -0.00 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 1yaj h SER 430 Cb 0.29 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 1yaj h SER 430 CO -0.11 0.00 -0.45 0.58 -1.14 0.00 0.00 176.83 175.72 1yaj h VAL 431 N 0.00 1.26 -0.45 2.27 2.07 -1.23 -2.95 116.25 117.22 1yaj h VAL 431 Ca 0.70 -2.11 0.13 0.00 0.82 0.00 0.00 66.70 66.24 1yaj h VAL 431 Cb 3.06 2.54 -0.02 0.00 -1.52 0.00 0.00 31.29 35.36 1yaj h VAL 431 CO -0.01 0.43 0.43 0.40 0.02 0.00 0.00 177.57 178.84 1yaj h ILE 432 N -1.00 0.45 -0.00 4.57 2.04 0.17 0.29 117.51 124.03 1yaj h ILE 432 Ca -0.12 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 1yaj h ILE 432 Cb 0.99 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1yaj h ILE 432 CO -0.07 0.00 -0.00 0.58 0.00 0.00 0.00 178.15 178.66 1yaj h VAL 433 N 0.00 1.35 -0.18 1.67 2.07 -1.21 -2.21 116.25 117.73 1yaj h VAL 433 Ca 0.21 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.73 1yaj h VAL 433 Cb 1.08 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.87 1yaj h VAL 433 CO -0.00 0.26 0.08 0.00 0.02 0.00 0.00 177.57 177.94 1yaj h ALA 434 N 0.57 0.21 -0.46 1.67 0.00 -0.39 -1.49 119.26 119.37 1yaj h ALA 434 Ca 0.00 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.02 1yaj h ALA 434 Cb 0.43 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1yaj h ALA 434 CO 0.00 -0.34 0.32 0.00 0.00 0.00 0.00 179.25 179.23 1yaj h ARG 435 N 0.18 0.14 0.00 0.00 3.08 -0.77 0.31 114.38 117.33 1yaj h ARG 435 Ca 0.07 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1yaj h ARG 435 Cb 0.02 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1yaj h ARG 435 CO -0.06 0.09 -0.49 -0.91 -1.07 0.00 0.00 179.97 177.54 1yaj h ASN 436 N 0.15 0.00 0.22 7.04 4.21 -0.73 -2.57 115.58 123.90 1yaj h ASN 436 Ca 0.21 -0.03 -0.29 0.00 1.21 0.00 0.00 56.30 57.40 1yaj h ASN 436 Cb 0.66 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 37.89 1yaj h ASN 436 CO -0.03 0.01 -1.29 -0.74 -1.29 0.00 0.00 177.43 174.10 1yaj h HIS 437 N 0.00 0.83 0.86 1.19 2.76 0.46 -3.00 115.15 118.25 1yaj h HIS 437 Ca 0.00 -0.61 -0.04 0.00 -2.20 0.00 0.00 60.37 57.52 1yaj h HIS 437 Cb 0.94 -0.03 0.01 0.00 1.55 0.00 0.00 27.41 29.88 1yaj h HIS 437 CO 0.00 1.49 -0.41 -0.09 -1.30 0.00 0.00 177.93 177.62 1yaj h ARG 438 N -0.03 -1.11 0.00 5.26 2.43 -0.81 -2.44 114.38 117.69 1yaj h ARG 438 Ca -0.23 0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1yaj h ARG 438 Cb 2.00 0.25 0.00 0.00 -0.42 0.00 0.00 29.97 31.80 1yaj h ARG 438 CO 0.23 -0.73 0.12 -0.25 -1.51 0.00 0.00 179.97 177.83 1yaj n ASP 439 N -5.56 0.00 -0.75 -3.80 9.92 -0.97 0.17 116.55 115.56 1yaj n ASP 439 Ca -0.15 0.35 0.13 0.00 -0.53 0.00 0.00 54.79 54.59 1yaj n ASP 439 Cb 0.46 -0.35 0.26 0.00 -0.64 0.00 0.00 41.12 40.85 1yaj n ASP 439 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1yaj n ALA 440 N -1.34 2.55 -1.96 2.24 0.00 -0.92 -4.97 120.51 116.11 1yaj n ALA 440 Ca 0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 53.44 52.84 1yaj n ALA 440 Cb 0.12 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1yaj n ALA 440 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yaj n GLY 441 N 1.29 -0.46 3.60 0.00 0.00 0.45 -5.02 105.19 105.04 1yaj n GLY 441 Ca 0.16 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.01 -1.76 -0.11 4.61 0.00 -1.20 -4.99 121.76 115.30 1yaj s ALA 442 Ca 0.02 1.89 -0.37 0.00 0.00 0.00 0.00 51.96 53.49 1yaj s ALA 442 Cb -0.00 -0.97 -0.14 0.00 0.00 0.00 0.00 23.12 22.00 1yaj s ALA 442 CO 0.22 -0.34 1.70 -2.30 0.00 0.00 0.00 175.76 175.04 1yaj n PRO 443 N 2.40 1.58 -4.12 0.00 -0.02 -1.26 -4.21 135.00 129.37 1yaj n PRO 443 Ca -0.15 0.58 -0.18 0.00 -2.02 0.00 0.00 63.50 61.72 1yaj n PRO 443 Cb 0.55 -2.31 -0.16 0.00 -0.02 0.00 0.00 33.50 31.56 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 2.92 0.43 -0.03 3.45 2.01 -1.26 -1.35 115.64 121.81 1yaj s THR 444 Ca 0.92 -0.09 0.03 0.00 0.31 0.00 0.00 61.69 62.86 1yaj s THR 444 Cb -0.89 -0.45 -0.00 0.00 0.01 0.00 0.00 72.50 71.16 1yaj s THR 444 CO 0.55 0.19 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.24 1yaj s TYR 445 N 0.74 1.21 0.36 4.92 2.02 -0.74 -0.20 117.35 125.65 1yaj s TYR 445 Ca -0.09 -0.31 0.08 0.00 -0.37 0.00 0.00 57.07 56.38 1yaj s TYR 445 Cb -0.12 -0.83 -0.07 0.00 -0.40 0.00 0.00 41.96 40.54 1yaj s TYR 445 CO -0.00 -0.11 -0.05 -1.64 -1.57 0.00 0.00 175.55 172.17 1yaj s MET 446 N 0.09 1.85 0.29 -0.62 -1.94 -1.25 -1.33 119.30 116.38 1yaj s MET 446 Ca -0.02 -1.99 -0.20 0.00 -1.71 0.00 0.00 55.69 51.77 1yaj s MET 446 Cb -0.09 -1.63 0.05 0.00 2.01 0.00 0.00 34.83 35.17 1yaj s MET 446 CO 0.01 0.06 0.83 1.52 -0.01 0.00 0.00 175.02 177.43 1yaj s TYR 447 N -2.68 -0.02 -0.24 -0.03 1.13 -1.14 -2.13 117.35 112.24 1yaj s TYR 447 Ca 0.33 -0.50 -0.03 0.00 -1.41 0.00 0.00 57.07 55.46 1yaj s TYR 447 Cb 0.05 0.75 0.13 0.00 -1.10 0.00 0.00 41.96 41.79 1yaj s TYR 447 CO 0.17 -1.26 0.38 -2.00 -2.51 0.00 0.00 175.55 170.32 1yaj s GLU 448 N -2.91 0.34 0.41 -3.49 2.12 -0.90 -1.94 118.70 112.32 1yaj s GLU 448 Ca 0.15 0.60 -0.24 0.00 0.36 0.00 0.00 54.97 55.84 1yaj s GLU 448 Cb -0.04 -0.37 -0.09 0.00 0.26 0.00 0.00 34.13 33.88 1yaj s GLU 448 CO 0.08 -0.59 1.05 0.12 -0.54 0.00 0.00 175.26 175.38 1yaj s PHE 449 N 2.55 3.25 -0.45 5.30 5.36 -0.13 -2.13 117.98 131.72 1yaj s PHE 449 Ca 0.11 1.64 0.07 0.00 -0.96 0.00 0.00 56.93 57.78 1yaj s PHE 449 Cb -0.15 -3.12 0.24 0.00 -0.34 0.00 0.00 43.02 39.65 1yaj s PHE 449 CO -0.15 -0.64 0.71 0.94 -1.46 0.00 0.00 175.22 174.62 1yaj n GLN 450 N -0.15 0.71 -3.81 10.12 7.27 -0.32 -1.40 117.38 129.81 1yaj n GLN 450 Ca 0.05 -2.40 -0.12 0.00 0.07 0.00 0.00 57.00 54.60 1yaj n GLN 450 Cb 0.50 -1.38 -0.11 0.00 2.41 0.00 0.00 30.24 31.66 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 -0.06 -0.18 -0.56 3.69 5.04 -1.26 -4.34 117.35 119.68 1yaj s TYR 451 Ca 0.33 0.43 -0.11 0.00 -2.44 0.00 0.00 57.07 55.27 1yaj s TYR 451 Cb 0.18 0.06 0.14 0.00 0.35 0.00 0.00 41.96 42.69 1yaj s TYR 451 CO -0.18 -0.17 0.46 0.50 -1.34 0.00 0.00 175.55 174.82 1yaj s ARG 452 N -0.27 2.80 0.65 4.97 3.52 -1.26 -3.04 118.95 126.31 1yaj s ARG 452 Ca -0.04 -1.92 -0.17 0.00 -0.13 0.00 0.00 55.73 53.47 1yaj s ARG 452 Cb -0.03 -4.09 -0.03 0.00 -1.56 0.00 0.00 34.95 29.24 1yaj s ARG 452 CO 0.01 -1.25 0.96 -0.35 -0.81 0.00 0.00 175.30 173.86 1yaj n PRO 453 N 4.75 0.75 0.00 5.12 -0.04 -1.26 -4.89 135.00 139.43 1yaj n PRO 453 Ca -0.05 0.30 0.15 0.00 -0.04 0.00 0.00 63.50 63.86 1yaj n PRO 453 Cb 0.41 -2.19 0.79 0.00 -0.04 0.00 0.00 33.50 32.48 1yaj n PRO 453 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1yaj n SER 454 N -1.09 0.01 0.01 3.54 3.41 -1.26 -3.11 113.62 115.12 1yaj n SER 454 Ca 0.14 -0.32 -0.06 0.00 -0.26 0.00 0.00 58.87 58.37 1yaj n SER 454 Cb 0.48 -0.23 -0.12 0.00 -0.26 0.00 0.00 64.21 64.09 1yaj n SER 454 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1yaj h PHE 455 N 0.02 0.00 -1.64 7.33 -1.00 -1.94 -3.48 116.94 116.22 1yaj h PHE 455 Ca 0.00 0.00 -0.53 0.00 2.81 0.00 0.00 57.97 60.25 1yaj h PHE 455 Cb 0.23 0.00 0.15 0.00 3.61 0.00 0.00 35.95 39.94 1yaj h PHE 455 CO 0.00 0.89 -0.94 0.43 -1.61 0.00 0.00 178.31 177.08 1yaj n SER 456 N -3.05 -2.93 -4.67 2.17 7.64 -1.18 -4.77 113.62 106.82 1yaj n SER 456 Ca -0.13 0.61 -0.44 0.00 1.01 0.00 0.00 58.87 59.93 1yaj n SER 456 Cb 0.98 -0.74 -0.02 0.00 -1.01 0.00 0.00 64.21 63.42 1yaj n SER 456 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1yaj n SER 457 N 2.12 2.63 0.00 6.43 2.88 -1.26 -4.81 113.62 121.60 1yaj n SER 457 Ca 0.08 1.17 0.04 0.00 -1.33 0.00 0.00 58.87 58.82 1yaj n SER 457 Cb 0.39 -1.43 0.23 0.00 -0.75 0.00 0.00 64.21 62.64 1yaj n SER 457 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1yaj n ASP 458 N 1.62 0.00 -0.51 -3.46 5.75 -1.26 -1.17 116.55 117.52 1yaj n ASP 458 Ca 0.09 -0.14 0.11 0.00 -0.01 0.00 0.00 54.79 54.84 1yaj n ASP 458 Cb 0.33 -0.08 -0.00 0.00 -1.03 0.00 0.00 41.12 40.34 1yaj n ASP 458 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1yaj n MET 459 N -1.08 1.29 -3.09 0.11 2.81 -1.26 -4.91 117.12 110.99 1yaj n MET 459 Ca 0.05 -1.04 -0.40 0.00 -1.81 0.00 0.00 57.70 54.51 1yaj n MET 459 Cb 0.04 -1.47 -0.05 0.00 -0.71 0.00 0.00 33.22 31.03 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 -2.42 4.34 0.80 0.03 2.20 -0.31 -5.04 119.74 119.33 1yaj s LYS 460 Ca 0.19 0.75 -0.14 0.00 -0.36 0.00 0.00 55.97 56.40 1yaj s LYS 460 Cb 0.18 -3.50 0.02 0.00 -1.51 0.00 0.00 37.83 33.02 1yaj s LYS 460 CO 0.55 -0.06 0.76 -0.35 -0.36 0.00 0.00 175.35 175.89 1yaj n PRO 461 N 4.33 0.16 0.09 4.03 -0.04 -1.26 -4.92 135.00 137.40 1yaj n PRO 461 Ca -0.01 0.11 0.13 0.00 -0.04 0.00 0.00 63.50 63.69 1yaj n PRO 461 Cb 0.51 -2.07 0.41 0.00 -0.04 0.00 0.00 33.50 32.31 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 -1.86 0.24 -0.48 0.54 5.02 -1.26 -3.42 118.16 116.93 1yaj n LYS 462 Ca 0.11 0.19 -0.06 0.00 -2.02 0.00 0.00 58.31 56.53 1yaj n LYS 462 Cb 0.51 -1.77 0.11 0.00 -0.02 0.00 0.00 35.03 33.85 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 -2.19 1.71 -3.94 -0.18 -2.24 -1.26 -4.71 114.28 101.46 1yaj n THR 463 Ca 0.06 -0.76 -0.30 0.00 -2.27 0.00 0.00 64.05 60.78 1yaj n THR 463 Cb 0.42 -0.65 -0.16 0.00 -2.10 0.00 0.00 70.33 67.84 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 -1.53 1.49 -0.04 2.28 1.01 -1.22 -5.10 120.40 117.29 1yaj s VAL 464 Ca 0.24 -1.14 0.05 0.00 0.00 0.00 0.00 61.98 61.14 1yaj s VAL 464 Cb 0.20 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.84 1yaj s VAL 464 CO 0.05 -0.05 -0.21 -0.63 0.00 0.00 0.00 175.10 174.27 1yaj s ILE 465 N 1.42 1.69 -0.48 2.22 1.01 -1.26 -4.76 121.20 121.04 1yaj s ILE 465 Ca -0.05 -0.87 -0.01 0.00 0.00 0.00 0.00 60.65 59.73 1yaj s ILE 465 Cb -0.18 -1.44 0.00 0.00 0.01 0.00 0.00 42.46 40.85 1yaj s ILE 465 CO -0.07 0.48 0.41 0.61 0.00 0.00 0.00 174.94 176.37 1yaj n GLY 466 N 3.00 0.17 3.89 6.18 0.00 -1.17 -3.79 105.19 113.47 1yaj n GLY 466 Ca -0.17 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 1yaj n GLY 466 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yaj s ASP 467 N -3.47 6.38 -0.04 1.61 2.15 -1.26 -1.66 116.67 120.39 1yaj s ASP 467 Ca 0.04 0.97 -0.40 0.00 0.43 0.00 0.00 52.55 53.59 1yaj s ASP 467 Cb -0.02 -2.26 -0.19 0.00 -0.30 0.00 0.00 42.92 40.15 1yaj s ASP 467 CO 0.29 -0.46 1.21 1.57 -0.17 0.00 0.00 175.17 177.60 1yaj n HIS 468 N -1.74 0.99 -0.18 -5.34 -0.00 -1.22 -0.65 115.22 107.09 1yaj n HIS 468 Ca 0.01 0.95 0.00 0.00 -0.00 0.00 0.00 57.72 58.68 1yaj n HIS 468 Cb 0.55 -2.17 0.00 0.00 -0.00 0.00 0.00 29.99 28.36 1yaj n HIS 468 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1yaj n GLY 469 N 2.06 2.17 0.18 1.57 0.00 -1.26 -4.85 105.19 105.06 1yaj n GLY 469 Ca 0.21 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.36 1yaj n GLY 469 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1yaj h ASP 470 N 0.00 0.00 0.96 1.61 3.32 -1.25 -1.38 116.42 119.68 1yaj h ASP 470 Ca 0.00 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.85 1yaj h ASP 470 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1yaj h ASP 470 CO 0.00 0.00 -0.95 1.05 -1.72 0.00 0.00 179.24 177.62 1yaj h GLU 471 N 0.00 0.00 -0.94 3.56 9.09 -1.89 -3.30 114.58 121.10 1yaj h GLU 471 Ca 0.00 0.00 0.23 0.00 0.05 0.00 0.00 59.36 59.64 1yaj h GLU 471 Cb 0.12 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 27.16 1yaj h GLU 471 CO 0.00 0.95 0.63 -0.07 0.05 0.00 0.00 179.01 180.57 1yaj h LEU 472 N 0.00 0.33 -0.61 3.06 3.38 -1.65 0.60 115.31 120.42 1yaj h LEU 472 Ca -0.01 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1yaj h LEU 472 Cb 1.68 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.39 1yaj h LEU 472 CO 0.12 0.11 0.09 -0.26 0.09 0.00 0.00 178.44 178.60 1yaj h PHE 473 N 0.32 1.09 -0.03 1.13 0.05 -1.72 0.21 116.94 117.97 1yaj h PHE 473 Ca 0.49 -0.15 -0.23 0.00 3.82 0.00 0.00 57.97 61.89 1yaj h PHE 473 Cb 1.38 -0.30 0.01 0.00 2.00 0.00 0.00 35.95 39.04 1yaj h PHE 473 CO -0.00 0.93 -0.93 0.77 -0.18 0.00 0.00 178.31 178.90 1yaj h SER 474 N 0.93 0.72 -0.40 2.17 0.02 -1.16 0.79 113.55 116.62 1yaj h SER 474 Ca 0.19 -0.55 -0.03 0.00 -0.84 0.00 0.00 61.79 60.56 1yaj h SER 474 Cb 0.44 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 1yaj h SER 474 CO 0.01 1.34 0.13 0.58 -1.14 0.00 0.00 176.83 177.75 1yaj h VAL 475 N 0.34 1.21 -0.54 2.27 2.07 -0.86 -2.77 116.25 117.97 1yaj h VAL 475 Ca -0.09 -0.70 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 1yaj h VAL 475 Cb 1.56 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 1yaj h VAL 475 CO 0.17 0.25 0.05 0.49 0.02 0.00 0.00 177.57 178.55 1yaj n PHE 476 N -4.60 1.92 -3.67 1.57 3.01 0.71 -4.66 117.46 111.73 1yaj n PHE 476 Ca -0.00 -0.73 -0.24 0.00 1.01 0.00 0.00 57.45 57.48 1yaj n PHE 476 Cb 0.18 -0.50 0.01 0.00 -0.01 0.00 0.00 39.48 39.16 1yaj n PHE 476 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yaj n GLY 477 N 0.41 -1.17 0.24 1.37 0.00 -0.79 -4.50 105.19 100.75 1yaj n GLY 477 Ca 0.27 0.51 -0.13 0.00 0.00 0.00 0.00 46.02 46.67 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 1.08 0.53 0.00 4.61 0.00 0.31 -3.17 119.26 122.62 1yaj h ALA 478 Ca -0.53 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 53.87 1yaj h ALA 478 Cb 1.32 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1yaj h ALA 478 CO 0.40 0.68 0.22 -1.35 0.00 0.00 0.00 179.25 179.20 1yaj h PRO 479 N 0.62 0.00 -0.01 0.00 0.11 -1.85 -0.27 132.00 130.60 1yaj h PRO 479 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1yaj h PRO 479 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1yaj h PRO 479 CO 0.12 0.00 -0.61 1.19 -0.21 0.00 0.00 178.00 178.48 1yaj n PHE 480 N -2.32 0.00 -0.03 0.65 3.01 -1.20 -4.60 117.46 112.97 1yaj n PHE 480 Ca -0.01 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.38 1yaj n PHE 480 Cb 0.25 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 39.68 1yaj n PHE 480 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1yaj n LEU 481 N -0.51 0.97 -4.91 4.37 4.77 -0.23 -4.97 117.00 116.48 1yaj n LEU 481 Ca 0.08 0.06 -0.27 0.00 -0.03 0.00 0.00 56.01 55.85 1yaj n LEU 481 Cb 0.42 -0.21 0.06 0.00 -2.33 0.00 0.00 43.42 41.36 1yaj n LEU 481 CO 0.33 0.23 0.65 -0.54 -1.33 0.00 0.00 177.39 176.73 1yaj s LYS 482 N -2.13 2.47 0.10 3.23 1.02 -0.53 -4.43 119.74 119.47 1yaj s LYS 482 Ca -0.10 0.00 0.05 0.00 0.02 0.00 0.00 55.97 55.95 1yaj s LYS 482 Cb 0.03 -2.13 -0.04 0.00 -0.52 0.00 0.00 37.83 35.17 1yaj s LYS 482 CO 0.13 -1.12 0.01 -2.00 -0.92 0.00 0.00 175.35 171.45 1yaj s GLU 483 N -5.25 2.58 0.00 1.68 2.12 -1.26 -4.65 118.70 113.92 1yaj s GLU 483 Ca 0.58 -0.84 0.00 0.00 0.36 0.00 0.00 54.97 55.07 1yaj s GLU 483 Cb -0.11 -2.55 0.00 0.00 0.26 0.00 0.00 34.13 31.73 1yaj s GLU 483 CO 0.47 0.54 0.00 0.41 -0.54 0.00 0.00 175.26 176.13 1yaj n GLY 484 N 0.49 2.62 3.68 -1.50 0.00 -1.26 -5.00 105.19 104.21 1yaj n GLY 484 Ca -0.10 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.46 1yaj n GLY 484 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj n ALA 485 N -0.74 1.35 -1.39 4.61 0.00 -1.26 -4.98 120.51 118.10 1yaj n ALA 485 Ca 0.00 0.36 -0.16 0.00 0.00 0.00 0.00 53.44 53.64 1yaj n ALA 485 Cb 0.00 -2.45 0.18 0.00 0.00 0.00 0.00 19.45 17.18 1yaj n ALA 485 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1yaj n SER 486 N 5.02 -0.89 -0.04 0.00 3.41 -1.26 -4.87 113.62 115.00 1yaj n SER 486 Ca 0.19 -1.20 -0.15 0.00 -0.26 0.00 0.00 58.87 57.45 1yaj n SER 486 Cb 0.31 -0.80 -0.08 0.00 -0.26 0.00 0.00 64.21 63.38 1yaj n SER 486 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1yaj h GLU 487 N 0.00 0.38 -0.10 4.33 4.57 -1.99 -2.90 114.58 118.86 1yaj h GLU 487 Ca -0.33 -0.27 0.03 0.00 -1.18 0.00 0.00 59.36 57.60 1yaj h GLU 487 Cb 0.96 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 29.57 1yaj h GLU 487 CO 0.23 0.89 -0.06 1.49 -1.18 0.00 0.00 179.01 180.37 1yaj h GLU 488 N -0.07 -0.06 -0.56 1.92 4.81 -1.99 -1.11 114.58 117.52 1yaj h GLU 488 Ca -0.01 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1yaj h GLU 488 Cb 0.91 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.24 1yaj h GLU 488 CO 0.06 -0.04 0.21 1.49 -0.73 0.00 0.00 179.01 180.00 1yaj h GLU 489 N -0.07 0.38 -0.07 1.92 4.81 -1.94 0.20 114.58 119.82 1yaj h GLU 489 Ca 0.06 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1yaj h GLU 489 Cb 0.16 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1yaj h GLU 489 CO -0.14 0.25 -0.16 0.82 -0.73 0.00 0.00 179.01 179.05 1yaj h ILE 490 N 0.39 1.16 -0.04 2.32 2.04 -1.26 0.98 117.51 123.10 1yaj h ILE 490 Ca 0.28 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 1yaj h ILE 490 Cb 0.32 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1yaj h ILE 490 CO -0.28 0.21 -0.02 -0.09 0.00 0.00 0.00 178.15 177.98 1yaj h ARG 491 N 0.11 0.08 -0.84 2.37 2.43 0.28 -0.38 114.38 118.43 1yaj h ARG 491 Ca 0.02 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.20 1yaj h ARG 491 Cb 0.35 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.85 1yaj h ARG 491 CO 0.02 0.50 0.55 1.25 -1.51 0.00 0.00 179.97 180.78 1yaj h LEU 492 N -0.33 0.87 -0.25 3.80 5.85 -0.06 -1.78 115.31 123.40 1yaj h LEU 492 Ca 0.01 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 1yaj h LEU 492 Cb 0.47 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1yaj h LEU 492 CO 0.01 0.58 -0.17 -1.28 -0.34 0.00 0.00 178.44 177.23 1yaj h SER 493 N 1.00 0.59 -0.87 1.25 0.87 -0.70 -2.10 113.55 113.58 1yaj h SER 493 Ca 0.34 -0.44 0.03 0.00 -1.23 0.00 0.00 61.79 60.50 1yaj h SER 493 Cb 0.10 -0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 61.85 1yaj h SER 493 CO -0.11 0.90 0.57 0.50 -0.53 0.00 0.00 176.83 178.17 1yaj h LYS 494 N 0.29 1.06 0.57 2.24 3.64 -0.55 -2.21 116.57 121.60 1yaj h LYS 494 Ca 0.05 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1yaj h LYS 494 Cb 0.71 -0.24 0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1yaj h LYS 494 CO 0.05 0.70 -0.27 1.98 -2.27 0.00 0.00 179.45 179.64 1yaj h MET 495 N 1.09 -0.73 -0.33 1.90 4.05 -1.24 -2.93 114.93 116.74 1yaj h MET 495 Ca 0.34 0.05 0.07 0.00 -0.28 0.00 0.00 59.70 59.89 1yaj h MET 495 Cb 0.02 0.17 -0.08 0.00 -0.80 0.00 0.00 31.60 30.91 1yaj h MET 495 CO -0.10 -0.43 -0.18 0.28 0.23 0.00 0.00 176.91 176.72 1yaj h VAL 496 N -1.07 0.48 -0.20 -5.77 2.07 -1.25 0.10 116.25 110.61 1yaj h VAL 496 Ca -0.08 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.48 1yaj h VAL 496 Cb 0.64 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 1yaj h VAL 496 CO 0.13 0.00 -0.49 0.24 0.02 0.00 0.00 177.57 177.47 1yaj h MET 497 N -0.13 -0.48 -0.87 1.57 2.07 -1.48 0.21 114.93 115.83 1yaj h MET 497 Ca 0.17 0.03 0.11 0.00 -2.07 0.00 0.00 59.70 57.95 1yaj h MET 497 Cb 0.39 0.11 -0.08 0.00 -1.87 0.00 0.00 31.60 30.15 1yaj h MET 497 CO -0.41 -0.32 0.49 -0.22 1.07 0.00 0.00 176.91 177.52 1yaj h LYS 498 N -0.50 0.76 -0.11 1.72 3.64 -1.19 0.11 116.57 120.99 1yaj h LYS 498 Ca 0.07 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1yaj h LYS 498 Cb 0.64 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 1yaj h LYS 498 CO -0.46 0.50 -0.06 0.74 -2.27 0.00 0.00 179.45 177.90 1yaj h PHE 499 N 0.78 -0.15 0.01 1.91 0.05 0.53 0.62 116.94 120.70 1yaj h PHE 499 Ca 0.44 0.01 0.01 0.00 3.82 0.00 0.00 57.97 62.25 1yaj h PHE 499 Cb 0.47 0.08 -0.01 0.00 2.00 0.00 0.00 35.95 38.49 1yaj h PHE 499 CO -0.06 -0.10 -0.06 -1.49 -0.18 0.00 0.00 178.31 176.43 1yaj h TRP 500 N -0.06 -0.14 -0.12 -0.55 -0.00 0.66 -0.67 115.95 115.08 1yaj h TRP 500 Ca 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.95 1yaj h TRP 500 Cb 0.15 0.06 -0.00 0.00 -0.00 0.00 0.00 29.16 29.37 1yaj h TRP 500 CO -0.19 -0.09 0.04 0.00 -0.00 0.00 0.00 178.44 178.20 1yaj h ALA 501 N 0.88 0.15 -0.94 1.49 0.00 -0.61 -0.15 119.26 120.08 1yaj h ALA 501 Ca 0.02 -0.11 0.19 0.00 0.00 0.00 0.00 54.91 55.01 1yaj h ALA 501 Cb 0.13 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.80 1yaj h ALA 501 CO -0.06 -0.24 0.60 -0.91 0.00 0.00 0.00 179.25 178.64 1yaj h ASN 502 N 0.01 0.55 -0.19 0.00 4.21 0.44 0.27 115.58 120.87 1yaj h ASN 502 Ca 0.04 0.06 -0.05 0.00 1.21 0.00 0.00 56.30 57.55 1yaj h ASN 502 Cb 0.20 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 37.35 1yaj h ASN 502 CO -0.00 0.22 -0.08 0.15 -1.29 0.00 0.00 177.43 176.42 1yaj h PHE 503 N 0.55 0.45 0.00 1.19 3.57 -0.31 -2.33 116.94 120.06 1yaj h PHE 503 Ca 0.50 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.88 1yaj h PHE 503 Cb 1.04 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.68 1yaj h PHE 503 CO -0.00 0.69 -0.03 0.00 -2.23 0.00 0.00 178.31 176.73 1yaj h ALA 504 N 0.70 1.27 0.03 2.41 0.00 0.11 0.49 119.26 124.28 1yaj h ALA 504 Ca 0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1yaj h ALA 504 Cb 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1yaj h ALA 504 CO 0.03 0.04 -0.02 0.00 0.00 0.00 0.00 179.25 179.30 1yaj h ARG 505 N 0.00 -0.04 -0.46 0.00 3.08 -0.29 -3.41 114.38 113.25 1yaj h ARG 505 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1yaj h ARG 505 Cb 0.13 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1yaj h ARG 505 CO 0.00 -0.03 0.00 0.09 -1.07 0.00 0.00 179.97 178.96 1yaj n ASN 506 N -3.62 3.22 -3.39 7.04 3.02 -0.91 -4.96 115.26 115.67 1yaj n ASN 506 Ca -0.01 -2.00 -0.24 0.00 -0.03 0.00 0.00 54.58 52.31 1yaj n ASN 506 Cb 0.02 -0.30 0.06 0.00 -0.61 0.00 0.00 39.78 38.94 1yaj n ASN 506 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yaj n GLY 507 N 0.84 -0.54 3.61 7.41 0.00 0.17 -4.96 105.19 111.73 1yaj n GLY 507 Ca 0.15 0.21 -0.01 0.00 0.00 0.00 0.00 46.02 46.37 1yaj n GLY 507 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1yaj s ASN 508 N -3.08 -1.10 0.40 1.61 3.84 -1.22 -4.93 114.94 110.46 1yaj s ASN 508 Ca 0.48 1.47 0.10 0.00 0.21 0.00 0.00 52.86 55.13 1yaj s ASN 508 Cb -0.22 2.24 0.84 0.00 -0.55 0.00 0.00 41.25 43.56 1yaj s ASN 508 CO 0.60 -0.21 1.95 1.55 -2.79 0.00 0.00 177.10 178.20 1yaj h PRO 509 N 7.95 0.25 -6.58 0.43 0.13 -1.79 -3.16 132.00 129.24 1yaj h PRO 509 Ca -0.18 -0.05 -0.48 0.00 -0.87 0.00 0.00 66.00 64.43 1yaj h PRO 509 Cb 1.10 -0.04 0.24 0.00 0.13 0.00 0.00 31.00 32.43 1yaj h PRO 509 CO 0.10 0.34 -1.25 0.09 -0.23 0.00 0.00 178.00 177.06 1yaj n ASN 510 N -4.32 -2.55 0.00 1.44 3.02 -1.26 -4.44 115.26 107.14 1yaj n ASN 510 Ca -0.00 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 1yaj n ASN 510 Cb 0.23 -0.93 0.00 0.00 -0.61 0.00 0.00 39.78 38.47 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 2.19 1.09 3.26 7.41 0.00 -1.26 -4.84 105.19 113.04 1yaj n GLY 511 Ca 0.01 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 3.81 2.41 -0.07 1.61 2.12 -1.26 -4.58 118.70 122.74 1yaj s GLU 512 Ca 0.00 -0.89 0.00 0.00 0.36 0.00 0.00 54.97 54.44 1yaj s GLU 512 Cb 0.00 -2.09 0.00 0.00 0.26 0.00 0.00 34.13 32.30 1yaj s GLU 512 CO 0.00 0.40 0.00 0.41 -0.54 0.00 0.00 175.26 175.53 1yaj n GLY 513 N 2.88 0.46 3.14 -1.50 0.00 -1.26 -5.03 105.19 103.89 1yaj n GLY 513 Ca -0.17 -0.70 -0.25 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.15 1.99 0.41 0.99 1.43 -1.26 -5.11 118.68 116.98 1yaj s LEU 514 Ca 0.00 -0.31 -0.24 0.00 -1.03 0.00 0.00 54.13 52.55 1yaj s LEU 514 Cb 0.00 -0.88 -0.11 0.00 0.03 0.00 0.00 46.19 45.22 1yaj s LEU 514 CO 0.00 0.19 0.90 -2.65 0.23 0.00 0.00 176.35 175.02 1yaj n PRO 515 N 2.83 1.14 -2.07 1.29 -0.02 -1.26 -4.78 135.00 132.14 1yaj n PRO 515 Ca -0.16 0.41 -0.42 0.00 -2.02 0.00 0.00 63.50 61.31 1yaj n PRO 515 Cb 0.54 -1.89 -0.03 0.00 -0.02 0.00 0.00 33.50 32.10 1yaj n PRO 515 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1yaj s HIS 516 N -1.30 2.99 -0.40 6.00 2.46 -1.26 -4.92 115.29 118.86 1yaj s HIS 516 Ca 0.63 0.72 -0.12 0.00 0.47 0.00 0.00 55.06 56.77 1yaj s HIS 516 Cb -0.58 -3.80 0.04 0.00 -0.13 0.00 0.00 32.58 28.11 1yaj s HIS 516 CO 0.57 -2.96 0.25 -0.46 -2.47 0.00 0.00 174.74 169.67 1yaj s TRP 517 N 1.58 3.26 0.57 3.88 -0.11 -1.26 -4.49 118.94 122.37 1yaj s TRP 517 Ca 0.68 -1.05 -0.19 0.00 1.22 0.00 0.00 56.10 56.76 1yaj s TRP 517 Cb -0.39 -2.65 -0.04 0.00 -1.50 0.00 0.00 33.47 28.89 1yaj s TRP 517 CO 0.30 -0.71 1.15 -1.25 -4.62 0.00 0.00 176.95 171.83 1yaj s PRO 518 N 1.55 3.16 0.10 5.86 0.04 -1.26 -4.79 135.00 139.66 1yaj s PRO 518 Ca 0.03 1.66 -0.30 0.00 0.04 0.00 0.00 61.00 62.43 1yaj s PRO 518 Cb -0.21 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.30 1yaj s PRO 518 CO 0.06 -1.02 1.07 -2.00 0.04 0.00 0.00 177.00 175.15 1yaj s GLU 519 N -3.39 4.57 -0.98 4.56 2.12 -1.26 -4.66 118.70 119.66 1yaj s GLU 519 Ca 0.74 1.62 -0.24 0.00 0.36 0.00 0.00 54.97 57.45 1yaj s GLU 519 Cb -0.26 -3.35 -0.02 0.00 0.26 0.00 0.00 34.13 30.76 1yaj s GLU 519 CO 0.31 0.00 1.80 -0.47 -0.54 0.00 0.00 175.26 176.36 1yaj s TYR 520 N 0.35 2.06 0.00 5.30 5.04 0.72 -4.01 117.35 126.80 1yaj s TYR 520 Ca 0.52 0.12 0.00 0.00 -2.44 0.00 0.00 57.07 55.27 1yaj s TYR 520 Cb -0.27 -4.25 0.00 0.00 0.35 0.00 0.00 41.96 37.80 1yaj s TYR 520 CO 0.31 -1.74 0.00 0.27 -1.34 0.00 0.00 175.55 173.05 1yaj n ASN 521 N 12.42 0.44 0.04 4.32 0.23 -1.26 -4.55 115.26 126.89 1yaj n ASN 521 Ca 0.39 0.00 0.17 0.00 -0.53 0.00 0.00 54.58 54.61 1yaj n ASN 521 Cb 0.48 0.00 0.65 0.00 -2.08 0.00 0.00 39.78 38.83 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 0.07 0.00 -3.83 1.08 -2.01 0.68 115.11 111.10 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 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 1yaj h GLN 522 CO 0.00 0.04 0.00 0.87 -0.95 0.00 0.00 178.83 178.79 1yaj h LYS 523 N 0.07 0.00 -5.77 1.46 6.56 -1.94 -3.47 116.57 113.48 1yaj h LYS 523 Ca 0.21 0.00 -0.36 0.00 -1.06 0.00 0.00 60.65 59.44 1yaj h LYS 523 Cb 0.74 0.00 0.14 0.00 -0.57 0.00 0.00 32.23 32.54 1yaj h LYS 523 CO -0.02 0.00 -0.77 0.39 -2.06 0.00 0.00 179.45 176.99 1yaj n GLU 524 N -2.64 -6.40 -2.65 3.15 1.02 0.24 -3.63 120.64 109.72 1yaj n GLU 524 Ca 0.02 0.80 -0.42 0.00 -0.02 0.00 0.00 57.16 57.54 1yaj n GLU 524 Cb 0.31 -5.73 -0.03 0.00 -0.02 0.00 0.00 31.44 25.97 1yaj n GLU 524 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1yaj s GLY 525 N -4.23 2.63 0.28 0.62 0.00 -1.26 -0.12 107.32 105.24 1yaj s GLY 525 Ca 0.07 0.53 0.04 0.00 0.00 0.00 0.00 44.72 45.36 1yaj s GLY 525 CO 0.75 1.84 0.01 -2.52 0.00 0.00 0.00 173.10 173.18 1yaj s TYR 526 N 1.42 1.81 -0.19 1.90 -0.85 -1.10 -3.55 117.35 116.79 1yaj s TYR 526 Ca 0.52 -0.89 -0.05 0.00 -0.52 0.00 0.00 57.07 56.12 1yaj s TYR 526 Cb -0.21 -1.11 -0.03 0.00 0.38 0.00 0.00 41.96 40.99 1yaj s TYR 526 CO 0.25 0.04 0.01 -1.17 -1.52 0.00 0.00 175.55 173.16 1yaj s LEU 527 N -3.41 3.35 -0.99 -3.49 2.96 -0.91 -1.22 118.68 114.97 1yaj s LEU 527 Ca 0.32 -0.15 -0.18 0.00 -0.22 0.00 0.00 54.13 53.91 1yaj s LEU 527 Cb 0.07 -1.84 0.14 0.00 0.50 0.00 0.00 46.19 45.05 1yaj s LEU 527 CO 0.12 0.09 1.21 -1.10 -1.32 0.00 0.00 176.35 175.35 1yaj s GLN 528 N 0.82 3.71 0.29 1.98 -0.21 -0.72 -2.12 119.66 123.42 1yaj s GLN 528 Ca 0.01 -1.92 -0.29 0.00 0.02 0.00 0.00 55.36 53.18 1yaj s GLN 528 Cb -0.14 -4.97 -0.09 0.00 1.00 0.00 0.00 33.01 28.81 1yaj s GLN 528 CO 0.02 -1.79 1.08 0.42 -2.12 0.00 0.00 175.29 172.90 1yaj s ILE 529 N 2.54 3.57 -3.87 1.08 1.01 -0.91 -3.17 121.20 121.45 1yaj s ILE 529 Ca 0.35 1.53 0.00 0.00 0.00 0.00 0.00 60.65 62.53 1yaj s ILE 529 Cb -0.04 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.48 1yaj s ILE 529 CO -0.07 0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.80 1yaj n GLY 530 N 1.10 -0.56 0.25 6.18 0.00 -1.26 -1.17 105.19 109.73 1yaj n GLY 530 Ca -0.00 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.23 1yaj n GLY 530 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj h ALA 531 N 0.00 -1.09 -2.52 4.61 0.00 -1.91 -3.26 119.26 115.09 1yaj h ALA 531 Ca 0.00 -0.12 -0.80 0.00 0.00 0.00 0.00 54.91 53.99 1yaj h ALA 531 Cb 0.00 0.33 -0.28 0.00 0.00 0.00 0.00 17.79 17.84 1yaj h ALA 531 CO 0.00 -1.06 0.49 0.09 0.00 0.00 0.00 179.25 178.77 1yaj n ASN 532 N -3.74 5.53 -4.62 0.00 3.02 -1.26 -5.01 115.26 109.18 1yaj n ASN 532 Ca -0.07 -3.04 -0.43 0.00 -0.03 0.00 0.00 54.58 51.01 1yaj n ASN 532 Cb 0.24 -1.38 -0.03 0.00 -0.61 0.00 0.00 39.78 38.00 1yaj n ASN 532 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1yaj s THR 533 N -1.24 3.35 0.06 3.41 2.01 -1.23 -4.96 115.64 117.04 1yaj s THR 533 Ca 0.31 0.38 -0.08 0.00 0.31 0.00 0.00 61.69 62.61 1yaj s THR 533 Cb -0.10 -3.40 -0.00 0.00 0.01 0.00 0.00 72.50 69.01 1yaj s THR 533 CO -0.07 -0.20 0.16 0.00 -0.69 0.00 0.00 174.62 173.81 1yaj s GLN 534 N 5.39 0.73 0.82 4.92 0.00 -1.19 -4.82 119.66 125.50 1yaj s GLN 534 Ca 0.84 -0.82 -0.12 0.00 -0.00 0.00 0.00 55.36 55.27 1yaj s GLN 534 Cb -0.29 0.29 0.08 0.00 0.00 0.00 0.00 33.01 33.10 1yaj s GLN 534 CO 0.34 -0.21 1.11 0.00 0.00 0.00 0.00 175.29 176.53 1yaj s ALA 535 N -3.16 2.22 0.00 2.60 0.00 -1.26 -1.75 121.76 120.41 1yaj s ALA 535 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.62 1yaj s ALA 535 Cb 0.02 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 20.07 1yaj s ALA 535 CO -0.07 -1.81 0.00 0.00 0.00 0.00 0.00 175.76 173.88 1yaj n ALA 536 N -3.47 0.00 -3.13 0.00 0.00 -0.36 -4.82 120.51 108.74 1yaj n ALA 536 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.39 1yaj n ALA 536 Cb 0.57 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.94 1yaj n ALA 536 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1yaj s GLN 537 N -0.49 0.64 -0.11 0.00 -0.21 -1.26 -2.72 119.66 115.50 1yaj s GLN 537 Ca 0.00 -0.34 -0.03 0.00 0.02 0.00 0.00 55.36 55.01 1yaj s GLN 537 Cb 0.00 0.28 0.01 0.00 1.00 0.00 0.00 33.01 34.30 1yaj s GLN 537 CO 0.00 -0.18 0.05 1.63 -2.12 0.00 0.00 175.29 174.68 1yaj n LYS 538 N 1.16 -2.22 -3.26 2.91 5.02 0.83 -4.92 118.16 117.68 1yaj n LYS 538 Ca -0.21 1.94 -0.38 0.00 -2.02 0.00 0.00 58.31 57.64 1yaj n LYS 538 Cb 0.57 -2.83 -0.06 0.00 -0.02 0.00 0.00 35.03 32.68 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 -0.81 4.35 -0.75 -0.35 2.96 -1.26 -4.10 118.68 118.72 1yaj s LEU 539 Ca -0.06 1.00 0.00 0.00 -0.22 0.00 0.00 54.13 54.85 1yaj s LEU 539 Cb 0.00 -2.82 0.00 0.00 0.50 0.00 0.00 46.19 43.88 1yaj s LEU 539 CO 0.35 0.06 0.00 0.29 -1.32 0.00 0.00 176.35 175.73 1yaj n LYS 540 N 3.15 -2.25 -0.30 1.98 4.76 -1.26 -4.80 118.16 119.44 1yaj n LYS 540 Ca -0.07 0.43 0.06 0.00 -2.87 0.00 0.00 58.31 55.85 1yaj n LYS 540 Cb 0.51 -4.92 0.20 0.00 -1.84 0.00 0.00 35.03 28.98 1yaj n LYS 540 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1yaj h ASP 541 N 0.00 0.61 -0.25 4.39 3.58 -1.95 -1.59 116.42 121.21 1yaj h ASP 541 Ca -0.20 0.07 -0.05 0.00 0.42 0.00 0.00 57.03 57.28 1yaj h ASP 541 Cb 1.05 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.06 1yaj h ASP 541 CO 0.24 0.30 -0.04 0.11 -2.88 0.00 0.00 179.24 176.97 1yaj h LYS 542 N 0.71 0.47 0.92 0.28 1.57 -1.92 -3.00 116.57 115.59 1yaj h LYS 542 Ca 0.44 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 59.01 1yaj h LYS 542 Cb 0.54 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.82 1yaj h LYS 542 CO -0.31 0.67 -0.48 0.93 -0.57 0.00 0.00 179.45 179.69 1yaj h GLU 543 N 0.22 -1.23 -0.71 3.15 3.07 -1.75 0.86 114.58 118.19 1yaj h GLU 543 Ca 0.07 0.08 0.20 0.00 -0.50 0.00 0.00 59.36 59.21 1yaj h GLU 543 Cb 0.49 0.28 -0.03 0.00 -0.84 0.00 0.00 28.75 28.65 1yaj h GLU 543 CO 0.02 -0.82 0.69 0.28 -1.40 0.00 0.00 179.01 177.78 1yaj h VAL 544 N -1.28 0.30 0.06 3.13 2.07 -1.42 0.21 116.25 119.33 1yaj h VAL 544 Ca -0.13 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1yaj h VAL 544 Cb 0.99 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1yaj h VAL 544 CO 0.18 0.00 -0.03 0.00 0.02 0.00 0.00 177.57 177.74 1yaj h ALA 545 N 1.28 -0.08 0.13 1.67 0.00 -1.23 -3.14 119.26 117.89 1yaj h ALA 545 Ca 0.34 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1yaj h ALA 545 Cb 1.72 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 1yaj h ALA 545 CO -0.00 -0.12 -0.22 0.35 0.00 0.00 0.00 179.25 179.26 1yaj h PHE 546 N -0.95 -0.62 -0.77 0.00 3.57 0.18 -2.76 116.94 115.59 1yaj h PHE 546 Ca -0.01 0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.66 1yaj h PHE 546 Cb 0.54 0.25 -0.10 0.00 2.79 0.00 0.00 35.95 39.43 1yaj h PHE 546 CO 0.13 -0.27 0.30 -1.49 -2.23 0.00 0.00 178.31 174.75 1yaj h TRP 547 N -0.37 0.51 -0.73 0.41 4.06 -1.40 0.37 115.95 118.80 1yaj h TRP 547 Ca -0.01 0.04 0.15 0.00 2.06 0.00 0.00 58.89 61.13 1yaj h TRP 547 Cb 0.34 -0.11 -0.05 0.00 -1.00 0.00 0.00 29.16 28.35 1yaj h TRP 547 CO -0.25 0.04 0.49 1.15 -3.56 0.00 0.00 178.44 176.31 1yaj h THR 548 N 0.42 0.77 0.09 1.49 2.02 -1.47 0.11 112.91 116.35 1yaj h THR 548 Ca 0.43 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.49 1yaj h THR 548 Cb 0.69 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1yaj h THR 548 CO -0.43 0.06 -0.04 0.78 0.37 0.00 0.00 175.52 176.26 1yaj h ASN 549 N 0.34 -0.10 -0.38 4.18 2.35 -0.04 -2.69 115.58 119.23 1yaj h ASN 549 Ca 0.36 -0.47 0.08 0.00 -0.55 0.00 0.00 56.30 55.72 1yaj h ASN 549 Cb 0.91 0.03 -0.08 0.00 0.05 0.00 0.00 38.32 39.23 1yaj h ASN 549 CO -0.10 0.55 -0.17 0.25 -1.65 0.00 0.00 177.43 176.31 1yaj h LEU 550 N -0.90 -0.57 -2.14 1.61 5.85 -0.63 -0.93 115.31 117.61 1yaj h LEU 550 Ca -0.01 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1yaj h LEU 550 Cb 0.56 0.32 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 1yaj h LEU 550 CO 0.02 -0.20 -0.04 -0.26 -0.34 0.00 0.00 178.44 177.62 1yaj h PHE 551 N -0.09 0.00 0.00 1.25 0.05 -0.87 -3.21 116.94 114.06 1yaj h PHE 551 Ca 0.19 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.98 1yaj h PHE 551 Cb 0.38 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.33 1yaj h PHE 551 CO -0.40 0.04 0.02 0.00 -0.18 0.00 0.00 178.31 177.80 1yaj n ALA 552 N -2.16 0.97 -0.48 2.45 0.00 -0.35 -5.09 120.51 115.84 1yaj n ALA 552 Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1yaj n ALA 552 Cb 0.20 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1yaj n ALA 552 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67