#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yaj n SER 22 N 0.00 4.13 -4.36 4.04 7.64 -1.26 -4.91 113.62 118.90 1yaj n SER 22 Ca 0.00 0.91 -0.40 0.00 1.01 0.00 0.00 58.87 60.40 1yaj n SER 22 Cb 0.00 -1.52 0.02 0.00 -1.01 0.00 0.00 64.21 61.69 1yaj n SER 22 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1yaj n PRO 23 N 7.31 0.27 -2.94 1.43 -0.02 -1.26 -4.85 135.00 134.94 1yaj n PRO 23 Ca 0.20 0.10 -0.40 0.00 -2.02 0.00 0.00 63.50 61.38 1yaj n PRO 23 Cb 0.40 -1.32 -0.06 0.00 -0.02 0.00 0.00 33.50 32.51 1yaj n PRO 23 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1yaj s PRO 24 N -1.45 4.61 -0.36 0.52 0.02 -1.22 -4.93 135.00 132.19 1yaj s PRO 24 Ca 0.62 1.21 0.03 0.00 0.02 0.00 0.00 61.00 62.88 1yaj s PRO 24 Cb -0.52 -3.28 0.10 0.00 0.02 0.00 0.00 34.50 30.82 1yaj s PRO 24 CO 0.60 0.51 0.09 0.08 -0.33 0.00 0.00 177.00 177.95 1yaj s VAL 25 N -0.94 2.11 -0.02 3.83 1.01 -1.26 -2.11 120.40 123.02 1yaj s VAL 25 Ca 0.37 -2.35 -0.16 0.00 0.00 0.00 0.00 61.98 59.84 1yaj s VAL 25 Cb -0.23 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.55 1yaj s VAL 25 CO 0.27 -0.64 0.44 -0.69 0.00 0.00 0.00 175.10 174.47 1yaj s VAL 26 N 0.83 5.03 0.08 2.92 1.01 -0.89 -4.91 120.40 124.47 1yaj s VAL 26 Ca 0.12 0.90 -0.25 0.00 0.00 0.00 0.00 61.98 62.75 1yaj s VAL 26 Cb -0.20 -3.75 -0.06 0.00 0.00 0.00 0.00 36.38 32.37 1yaj s VAL 26 CO -0.09 0.52 0.77 -1.81 0.00 0.00 0.00 175.10 174.49 1yaj s ASP 27 N -0.69 7.27 0.05 3.32 1.01 -1.26 -0.96 116.67 125.41 1yaj s ASP 27 Ca 0.25 1.51 -0.00 0.00 0.71 0.00 0.00 52.55 55.01 1yaj s ASP 27 Cb -0.17 -2.48 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 1yaj s ASP 27 CO 0.13 0.08 -0.04 0.42 0.21 0.00 0.00 175.17 175.97 1yaj s THR 28 N -0.39 0.28 0.25 -1.27 -4.23 -0.96 -4.78 115.64 104.54 1yaj s THR 28 Ca 0.38 -1.63 -0.09 0.00 -1.18 0.00 0.00 61.69 59.17 1yaj s THR 28 Cb -0.21 -1.27 0.33 0.00 1.34 0.00 0.00 72.50 72.69 1yaj s THR 28 CO 0.24 -0.86 1.60 0.58 -0.54 0.00 0.00 174.62 175.64 1yaj h VAL 29 N 3.47 0.21 -0.00 2.29 2.07 -1.96 0.41 116.25 122.74 1yaj h VAL 29 Ca -0.34 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1yaj h VAL 29 Cb 1.16 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1yaj h VAL 29 CO 0.60 0.00 -0.03 1.41 0.02 0.00 0.00 177.57 179.57 1yaj n HIS 30 N -5.49 0.00 0.00 1.57 8.25 -1.26 -5.00 115.22 113.29 1yaj n HIS 30 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 1yaj n HIS 30 Cb 0.44 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.42 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 1.17 3.24 3.69 -1.41 0.00 0.14 -1.04 105.19 110.98 1yaj n GLY 31 Ca 0.18 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 1yaj n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yaj s LYS 32 N -2.11 4.35 0.15 1.61 1.02 -1.26 -2.25 119.74 121.25 1yaj s LYS 32 Ca 0.00 1.72 0.04 0.00 0.02 0.00 0.00 55.97 57.75 1yaj s LYS 32 Cb 0.00 -3.55 -0.04 0.00 -0.52 0.00 0.00 37.83 33.73 1yaj s LYS 32 CO 0.00 -0.45 0.19 0.08 -0.92 0.00 0.00 175.35 174.25 1yaj s VAL 33 N 2.16 4.82 -0.09 3.17 1.01 -0.13 0.06 120.40 131.40 1yaj s VAL 33 Ca 0.57 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1yaj s VAL 33 Cb -0.26 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.68 1yaj s VAL 33 CO 0.23 -0.09 -0.10 -0.22 0.00 0.00 0.00 175.10 174.92 1yaj s LEU 34 N -3.12 1.42 0.00 3.92 1.98 0.21 -2.10 118.68 120.99 1yaj s LEU 34 Ca 0.32 -0.30 0.00 0.00 -2.89 0.00 0.00 54.13 51.26 1yaj s LEU 34 Cb -0.11 -0.84 0.00 0.00 0.66 0.00 0.00 46.19 45.91 1yaj s LEU 34 CO 0.25 -0.05 0.01 0.61 -1.89 0.00 0.00 176.35 175.28 1yaj n GLY 35 N 4.40 3.85 3.52 7.98 0.00 -0.90 -0.20 105.19 123.84 1yaj n GLY 35 Ca -0.18 -2.29 -0.29 0.00 0.00 0.00 0.00 46.02 43.26 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 -2.92 1.88 -0.19 1.61 -2.85 -1.12 -3.37 119.74 112.79 1yaj s LYS 36 Ca 0.00 -1.15 -0.18 0.00 -1.00 0.00 0.00 55.97 53.64 1yaj s LYS 36 Cb -0.00 -2.16 -0.03 0.00 -2.06 0.00 0.00 37.83 33.58 1yaj s LYS 36 CO 0.00 0.48 0.51 -0.06 0.10 0.00 0.00 175.35 176.39 1yaj s PHE 37 N -1.21 3.39 -0.06 1.78 2.99 -1.26 -1.81 117.98 121.80 1yaj s PHE 37 Ca 0.19 0.79 0.04 0.00 0.00 0.00 0.00 56.93 57.95 1yaj s PHE 37 Cb -0.11 -2.66 0.00 0.00 0.00 0.00 0.00 43.02 40.26 1yaj s PHE 37 CO 0.11 -0.07 -0.17 0.08 -0.00 0.00 0.00 175.22 175.18 1yaj s VAL 38 N 1.51 1.47 -0.10 -0.44 1.01 0.07 -4.95 120.40 118.97 1yaj s VAL 38 Ca 0.24 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.46 1yaj s VAL 38 Cb -0.15 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1yaj s VAL 38 CO 0.10 0.43 0.09 -0.44 0.00 0.00 0.00 175.10 175.28 1yaj s SER 39 N 0.27 6.00 0.15 3.32 0.01 -1.26 0.15 113.70 122.33 1yaj s SER 39 Ca -0.10 0.35 0.04 0.00 1.31 0.00 0.00 55.95 57.56 1yaj s SER 39 Cb -0.14 -1.86 -0.04 0.00 0.21 0.00 0.00 66.02 64.19 1yaj s SER 39 CO 0.04 0.39 0.19 -0.22 0.41 0.00 0.00 173.24 174.05 1yaj s LEU 40 N -1.02 4.01 -0.11 2.44 2.96 -1.26 -4.97 118.68 120.73 1yaj s LEU 40 Ca 0.15 -0.01 -0.31 0.00 -0.22 0.00 0.00 54.13 53.74 1yaj s LEU 40 Cb -0.12 -2.61 -0.09 0.00 0.50 0.00 0.00 46.19 43.87 1yaj s LEU 40 CO 0.04 0.07 2.04 1.21 -1.32 0.00 0.00 176.35 178.39 1yaj n GLU 41 N -0.36 2.22 -0.50 1.98 4.07 -1.26 -1.97 120.64 124.82 1yaj n GLU 41 Ca -0.08 0.75 0.00 0.00 -0.06 0.00 0.00 57.16 57.78 1yaj n GLU 41 Cb 0.54 -2.90 0.00 0.00 -0.06 0.00 0.00 31.44 29.02 1yaj n GLU 41 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1yaj n GLY 42 N 5.05 0.73 3.00 8.31 0.00 -1.26 -5.06 105.19 115.96 1yaj n GLY 42 Ca 0.26 -0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 1yaj n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1yaj s PHE 43 N -2.00 1.12 0.00 1.61 0.40 -0.83 -5.08 117.98 113.19 1yaj s PHE 43 Ca 0.00 -0.33 0.00 0.00 -0.60 0.00 0.00 56.93 56.00 1yaj s PHE 43 Cb 0.00 -0.82 0.00 0.00 0.51 0.00 0.00 43.02 42.71 1yaj s PHE 43 CO 0.00 -0.17 0.23 0.00 0.70 0.00 0.00 175.22 175.98 1yaj n ALA 44 N 3.55 -0.01 -1.54 5.36 0.00 -1.26 -4.42 120.51 122.18 1yaj n ALA 44 Ca -0.21 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.85 1yaj n ALA 44 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.93 1yaj n ALA 44 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1yaj n GLN 45 N -0.60 0.95 -0.67 0.00 -0.06 -1.26 -4.89 117.38 110.85 1yaj n GLN 45 Ca 0.00 0.05 -0.31 0.00 -2.00 0.00 0.00 57.00 54.74 1yaj n GLN 45 Cb 0.00 -3.07 0.17 0.00 -4.06 0.00 0.00 30.24 23.29 1yaj n GLN 45 CO 0.00 0.00 0.00 -0.35 -0.20 0.00 0.00 177.06 176.51 1yaj n PRO 46 N 8.86 -1.08 -3.65 3.69 -0.04 -1.26 -4.91 135.00 136.61 1yaj n PRO 46 Ca 0.41 -0.27 -0.37 0.00 -0.04 0.00 0.00 63.50 63.23 1yaj n PRO 46 Cb 0.44 -2.02 -0.06 0.00 -0.04 0.00 0.00 33.50 31.82 1yaj n PRO 46 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1yaj s VAL 47 N -2.42 5.26 -0.31 0.52 1.01 0.39 -4.79 120.40 120.05 1yaj s VAL 47 Ca 0.62 0.55 -0.19 0.00 0.00 0.00 0.00 61.98 62.95 1yaj s VAL 47 Cb -0.20 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 1yaj s VAL 47 CO 0.64 0.56 0.59 0.00 0.00 0.00 0.00 175.10 176.90 1yaj s ALA 48 N -0.81 3.52 -0.32 5.51 0.00 0.31 -0.75 121.76 129.21 1yaj s ALA 48 Ca 0.19 -0.74 -0.05 0.00 0.00 0.00 0.00 51.96 51.36 1yaj s ALA 48 Cb -0.14 -3.06 0.04 0.00 0.00 0.00 0.00 23.12 19.95 1yaj s ALA 48 CO 0.08 -1.09 0.07 0.42 0.00 0.00 0.00 175.76 175.24 1yaj s ILE 49 N 2.54 3.56 -0.20 0.00 1.01 -0.75 -1.52 121.20 125.84 1yaj s ILE 49 Ca 0.23 -1.16 -0.09 0.00 0.00 0.00 0.00 60.65 59.63 1yaj s ILE 49 Cb -0.15 -3.01 -0.05 0.00 0.01 0.00 0.00 42.46 39.27 1yaj s ILE 49 CO 0.12 -0.13 0.10 -0.36 0.00 0.00 0.00 174.94 174.67 1yaj s PHE 50 N 1.37 3.31 -0.15 3.97 0.40 0.90 -2.78 117.98 125.00 1yaj s PHE 50 Ca -0.02 0.17 -0.01 0.00 -0.60 0.00 0.00 56.93 56.47 1yaj s PHE 50 Cb -0.19 -2.14 -0.01 0.00 0.51 0.00 0.00 43.02 41.19 1yaj s PHE 50 CO 0.02 0.18 -0.12 -0.51 0.70 0.00 0.00 175.22 175.49 1yaj s LEU 51 N 0.49 2.72 -0.26 -0.37 1.43 -0.24 -0.51 118.68 121.95 1yaj s LEU 51 Ca 0.06 -0.36 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1yaj s LEU 51 Cb -0.12 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.47 1yaj s LEU 51 CO 0.00 0.12 0.22 0.61 0.23 0.00 0.00 176.35 177.54 1yaj n GLY 52 N 3.82 0.58 3.68 -3.19 0.00 -1.20 -3.76 105.19 105.12 1yaj n GLY 52 Ca -0.18 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 1yaj n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yaj s ILE 53 N -3.06 4.85 0.43 -0.61 1.01 0.04 -4.80 121.20 119.06 1yaj s ILE 53 Ca 0.09 1.78 -0.25 0.00 0.00 0.00 0.00 60.65 62.27 1yaj s ILE 53 Cb -0.04 -4.20 -0.08 0.00 0.01 0.00 0.00 42.46 38.15 1yaj s ILE 53 CO 0.14 0.02 1.23 -2.16 0.00 0.00 0.00 174.94 174.17 1yaj s PRO 54 N 2.08 3.87 0.00 2.79 0.04 -1.26 -1.71 135.00 140.82 1yaj s PRO 54 Ca 0.42 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.41 1yaj s PRO 54 Cb -0.17 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.77 1yaj s PRO 54 CO 0.14 -0.51 0.61 1.97 0.04 0.00 0.00 177.00 179.26 1yaj n PHE 55 N -0.14 0.00 -3.64 0.56 1.16 -1.15 -4.92 117.46 109.32 1yaj n PHE 55 Ca 0.05 -0.15 -0.05 0.00 -1.87 0.00 0.00 57.45 55.43 1yaj n PHE 55 Cb 0.46 -0.02 -0.07 0.00 -1.61 0.00 0.00 39.48 38.25 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 -0.30 -2.14 0.20 1.98 0.00 -1.26 -4.63 121.76 115.60 1yaj s ALA 56 Ca 0.00 2.04 -0.32 0.00 0.00 0.00 0.00 51.96 53.68 1yaj s ALA 56 Cb 0.00 -1.60 -0.15 0.00 0.00 0.00 0.00 23.12 21.37 1yaj s ALA 56 CO 0.00 -0.29 1.22 1.17 0.00 0.00 0.00 175.76 177.86 1yaj n LYS 57 N 2.95 1.39 -1.61 0.00 4.81 0.21 -4.73 118.16 121.18 1yaj n LYS 57 Ca -0.15 0.50 -0.53 0.00 -0.87 0.00 0.00 58.31 57.25 1yaj n LYS 57 Cb 0.57 -2.03 -0.07 0.00 0.02 0.00 0.00 35.03 33.53 1yaj n LYS 57 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1yaj n PRO 58 N 1.77 1.38 -1.34 1.64 -0.02 -1.26 -4.50 135.00 132.67 1yaj n PRO 58 Ca 0.14 0.47 -0.42 0.00 -2.02 0.00 0.00 63.50 61.67 1yaj n PRO 58 Cb 0.27 -2.37 -0.04 0.00 -0.02 0.00 0.00 33.50 31.34 1yaj n PRO 58 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1yaj n PRO 59 N 6.74 1.81 -4.05 0.52 -0.04 -1.26 -4.90 135.00 133.82 1yaj n PRO 59 Ca 0.31 -2.06 -0.26 0.00 -0.04 0.00 0.00 63.50 61.45 1yaj n PRO 59 Cb 0.21 -3.05 -0.04 0.00 -0.04 0.00 0.00 33.50 30.58 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 1.98 2.82 0.00 1.53 1.43 -1.26 -4.27 118.68 120.91 1yaj s LEU 60 Ca 0.56 -1.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.45 1yaj s LEU 60 Cb 0.13 -1.27 0.00 0.00 0.03 0.00 0.00 46.19 45.08 1yaj s LEU 60 CO 0.08 -0.87 0.00 0.61 0.23 0.00 0.00 176.35 176.39 1yaj n GLY 61 N -1.53 2.91 0.00 -3.19 0.00 -1.26 -0.62 105.19 101.50 1yaj n GLY 61 Ca -0.04 0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.06 1yaj n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1yaj n PRO 62 N 14.00 0.23 -0.37 1.61 -0.04 -1.26 -2.37 135.00 146.80 1yaj n PRO 62 Ca 0.00 0.08 0.10 0.00 -0.04 0.00 0.00 63.50 63.64 1yaj n PRO 62 Cb 0.00 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.26 1yaj n PRO 62 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1yaj n LEU 63 N -1.12 3.67 -4.67 1.53 4.77 0.21 -4.85 117.00 116.53 1yaj n LEU 63 Ca 0.06 -1.84 -0.41 0.00 -0.03 0.00 0.00 56.01 53.80 1yaj n LEU 63 Cb 0.05 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 40.64 1yaj n LEU 63 CO 0.06 0.87 0.55 -0.60 -1.33 0.00 0.00 177.39 176.94 1yaj s ARG 64 N -1.21 4.30 -0.37 3.23 3.52 -1.00 -3.62 118.95 123.80 1yaj s ARG 64 Ca 0.45 0.94 -0.02 0.00 -0.13 0.00 0.00 55.73 56.97 1yaj s ARG 64 Cb 0.24 -3.56 0.00 0.00 -1.56 0.00 0.00 34.95 30.07 1yaj s ARG 64 CO 0.29 -0.27 0.32 1.19 -0.81 0.00 0.00 175.30 176.02 1yaj n PHE 65 N 5.02 -0.74 -3.85 5.12 3.72 -1.26 -4.97 117.46 120.49 1yaj n PHE 65 Ca 0.03 0.28 -0.09 0.00 -0.05 0.00 0.00 57.45 57.62 1yaj n PHE 65 Cb 0.49 -2.41 -0.07 0.00 -0.94 0.00 0.00 39.48 36.56 1yaj n PHE 65 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1yaj s THR 66 N -3.09 0.10 0.50 4.37 -4.23 -1.24 -4.82 115.64 107.23 1yaj s THR 66 Ca 0.11 -1.14 -0.23 0.00 -1.18 0.00 0.00 61.69 59.25 1yaj s THR 66 Cb -0.05 -1.47 -0.07 0.00 1.34 0.00 0.00 72.50 72.25 1yaj s THR 66 CO 0.21 -0.48 1.35 -2.65 -0.54 0.00 0.00 174.62 172.51 1yaj n PRO 67 N -0.14 1.88 -2.14 3.99 -0.02 -1.26 -4.93 135.00 132.38 1yaj n PRO 67 Ca -0.13 0.68 -0.38 0.00 -2.02 0.00 0.00 63.50 61.65 1yaj n PRO 67 Cb 0.63 -2.54 -0.01 0.00 -0.02 0.00 0.00 33.50 31.56 1yaj n PRO 67 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1yaj s PRO 68 N -2.63 3.85 0.04 0.52 0.04 -1.26 -5.02 135.00 130.55 1yaj s PRO 68 Ca 0.67 1.98 0.01 0.00 0.04 0.00 0.00 61.00 63.70 1yaj s PRO 68 Cb -0.44 -2.60 -0.04 0.00 0.04 0.00 0.00 34.50 31.46 1yaj s PRO 68 CO 0.53 -0.53 0.07 -0.65 0.04 0.00 0.00 177.00 176.46 1yaj s GLN 69 N -2.43 2.94 0.75 4.56 1.11 -1.26 -4.99 119.66 120.34 1yaj s GLN 69 Ca 0.60 -0.60 -0.16 0.00 0.01 0.00 0.00 55.36 55.21 1yaj s GLN 69 Cb -0.34 -2.77 -0.01 0.00 -1.01 0.00 0.00 33.01 28.88 1yaj s GLN 69 CO 0.42 0.60 0.67 -2.30 0.01 0.00 0.00 175.29 174.70 1yaj n PRO 70 N 0.85 0.28 -3.14 2.91 -0.02 -1.26 0.64 135.00 135.25 1yaj n PRO 70 Ca -0.11 0.14 -0.38 0.00 -2.02 0.00 0.00 63.50 61.14 1yaj n PRO 70 Cb 0.52 -1.97 -0.06 0.00 -0.02 0.00 0.00 33.50 31.97 1yaj n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yaj s ALA 71 N -1.96 3.49 0.12 3.55 0.00 -1.26 -3.27 121.76 122.44 1yaj s ALA 71 Ca 0.67 0.15 -0.31 0.00 0.00 0.00 0.00 51.96 52.47 1yaj s ALA 71 Cb -0.33 -2.77 -0.08 0.00 0.00 0.00 0.00 23.12 19.94 1yaj s ALA 71 CO 0.57 0.35 1.35 -1.21 0.00 0.00 0.00 175.76 176.82 1yaj s GLU 72 N -1.48 4.34 0.59 0.00 2.02 -1.26 -4.89 118.70 118.02 1yaj s GLU 72 Ca 0.36 2.04 -0.19 0.00 0.02 0.00 0.00 54.97 57.20 1yaj s GLU 72 Cb -0.19 -3.25 -0.04 0.00 0.10 0.00 0.00 34.13 30.75 1yaj s GLU 72 CO 0.22 -0.38 1.21 -1.25 0.02 0.00 0.00 175.26 175.07 1yaj s PRO 73 N 0.89 2.98 0.20 0.39 0.04 -1.26 -5.05 135.00 133.19 1yaj s PRO 73 Ca 0.63 1.84 0.06 0.00 0.04 0.00 0.00 61.00 63.56 1yaj s PRO 73 Cb -0.36 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 1yaj s PRO 73 CO 0.31 -1.20 0.13 1.67 0.04 0.00 0.00 177.00 177.95 1yaj s TRP 74 N -1.58 3.07 0.01 0.56 -2.14 -0.21 -5.05 118.94 113.60 1yaj s TRP 74 Ca 0.77 -0.07 -0.10 0.00 2.66 0.00 0.00 56.10 59.36 1yaj s TRP 74 Cb -0.31 -1.44 -0.31 0.00 -3.10 0.00 0.00 33.47 28.31 1yaj s TRP 74 CO 0.33 0.53 0.90 0.77 -2.66 0.00 0.00 176.95 176.82 1yaj h SER 75 N 2.15 0.61 0.00 -2.66 0.02 -1.97 -3.43 113.55 108.28 1yaj h SER 75 Ca -0.48 -0.75 0.00 0.00 -0.84 0.00 0.00 61.79 59.72 1yaj h SER 75 Cb 1.21 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.56 1yaj h SER 75 CO 0.62 1.61 0.00 0.49 -1.14 0.00 0.00 176.83 178.41 1yaj n PHE 76 N -3.59 0.00 -3.74 3.45 3.01 -1.26 -5.02 117.46 110.31 1yaj n PHE 76 Ca -0.17 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 57.91 1yaj n PHE 76 Cb 1.07 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 40.42 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 4.00 4.04 -0.19 -4.37 1.01 -1.26 -4.07 120.40 119.56 1yaj s VAL 77 Ca 0.00 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 60.98 1yaj s VAL 77 Cb 0.00 -3.10 -0.00 0.00 0.00 0.00 0.00 36.38 33.27 1yaj s VAL 77 CO 0.00 0.05 1.14 -0.75 0.00 0.00 0.00 175.10 175.53 1yaj s LYS 78 N 1.51 4.26 -1.25 2.72 2.20 0.11 -4.85 119.74 124.43 1yaj s LYS 78 Ca 0.02 1.50 -0.18 0.00 -0.36 0.00 0.00 55.97 56.96 1yaj s LYS 78 Cb -0.17 -3.68 -0.00 0.00 -1.51 0.00 0.00 37.83 32.46 1yaj s LYS 78 CO 0.03 -0.63 1.98 0.09 -0.36 0.00 0.00 175.35 176.46 1yaj n ASN 79 N 6.30 3.88 -3.52 1.43 3.02 -1.26 0.64 115.26 125.76 1yaj n ASN 79 Ca 0.13 -2.82 -0.38 0.00 -0.03 0.00 0.00 54.58 51.48 1yaj n ASN 79 Cb 0.46 -1.61 -0.03 0.00 -0.61 0.00 0.00 39.78 37.99 1yaj n ASN 79 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yaj n ALA 80 N 8.18 4.49 -0.17 5.41 0.00 0.72 -4.39 120.51 134.75 1yaj n ALA 80 Ca 0.50 -3.15 0.01 0.00 0.00 0.00 0.00 53.44 50.79 1yaj n ALA 80 Cb 0.43 -3.45 0.01 0.00 0.00 0.00 0.00 19.45 16.44 1yaj n ALA 80 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1yaj n THR 81 N 5.18 1.03 -4.24 0.00 -2.24 -1.25 -1.08 114.28 111.70 1yaj n THR 81 Ca 0.51 -1.07 -0.21 0.00 -2.27 0.00 0.00 64.05 61.01 1yaj n THR 81 Cb 0.32 0.45 -0.12 0.00 -2.10 0.00 0.00 70.33 68.88 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 -1.14 2.04 0.05 3.42 0.01 -1.26 -4.93 113.70 111.90 1yaj s SER 82 Ca 0.03 -0.63 -0.31 0.00 1.31 0.00 0.00 55.95 56.35 1yaj s SER 82 Cb 0.03 -0.09 -0.08 0.00 0.21 0.00 0.00 66.02 66.09 1yaj s SER 82 CO 0.00 -0.01 1.61 -0.31 0.41 0.00 0.00 173.24 174.95 1yaj s TYR 83 N -1.19 2.46 0.54 2.43 2.02 -1.26 -4.00 117.35 118.34 1yaj s TYR 83 Ca 0.02 0.39 -0.21 0.00 -0.37 0.00 0.00 57.07 56.90 1yaj s TYR 83 Cb -0.10 -3.91 -0.05 0.00 -0.40 0.00 0.00 41.96 37.50 1yaj s TYR 83 CO 0.03 -3.65 1.23 -1.25 -1.57 0.00 0.00 175.55 170.34 1yaj s PRO 84 N 2.68 3.26 0.65 -1.71 0.04 -1.26 -4.96 135.00 133.70 1yaj s PRO 84 Ca 0.72 1.90 -0.17 0.00 0.04 0.00 0.00 61.00 63.50 1yaj s PRO 84 Cb -0.38 -2.15 -0.00 0.00 0.04 0.00 0.00 34.50 32.00 1yaj s PRO 84 CO 0.31 -1.00 1.18 -2.14 0.04 0.00 0.00 177.00 175.39 1yaj s PRO 85 N -3.04 2.66 0.10 0.56 0.02 -1.26 -4.78 135.00 129.26 1yaj s PRO 85 Ca 0.72 1.68 -0.09 0.00 0.02 0.00 0.00 61.00 63.32 1yaj s PRO 85 Cb -0.32 -1.91 -0.06 0.00 0.02 0.00 0.00 34.50 32.23 1yaj s PRO 85 CO 0.37 -1.41 0.41 0.00 -0.33 0.00 0.00 177.00 176.04 1yaj s MET 86 N -3.72 3.75 0.71 5.54 0.23 0.39 -4.66 119.30 121.54 1yaj s MET 86 Ca 0.73 0.16 -0.16 0.00 -1.03 0.00 0.00 55.69 55.39 1yaj s MET 86 Cb -0.27 -2.95 -0.02 0.00 -1.53 0.00 0.00 34.83 30.06 1yaj s MET 86 CO 0.39 0.53 0.78 0.00 -2.03 0.00 0.00 175.02 174.69 1yaj n THR 88 N -2.38 0.17 -2.48 0.00 -1.04 -1.24 -4.62 114.28 102.70 1yaj n THR 88 Ca 0.12 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 1yaj n THR 88 Cb 0.49 -1.40 0.00 0.00 -1.82 0.00 0.00 70.33 67.60 1yaj n THR 88 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1yaj n GLN 89 N 4.17 0.00 -2.64 -2.82 10.64 -1.26 -4.71 117.38 120.76 1yaj n GLN 89 Ca 0.20 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.95 1yaj n GLN 89 Cb 0.25 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.59 1yaj n GLN 89 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1yaj s ASP 90 N 0.79 6.17 0.46 2.61 -1.08 -1.26 -4.87 116.67 119.48 1yaj s ASP 90 Ca 0.00 -0.62 0.25 0.00 -0.52 0.00 0.00 52.55 51.66 1yaj s ASP 90 Cb 0.00 -2.52 1.27 0.00 -1.46 0.00 0.00 42.92 40.21 1yaj s ASP 90 CO 0.00 -1.72 1.80 1.55 0.52 0.00 0.00 175.17 177.32 1yaj h PRO 91 N 9.89 0.23 -0.05 4.34 0.13 -1.97 0.96 132.00 145.54 1yaj h PRO 91 Ca -0.28 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.77 1yaj h PRO 91 Cb 1.06 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1yaj h PRO 91 CO 1.25 0.15 -0.26 0.87 -0.23 0.00 0.00 178.00 179.79 1yaj h LYS 92 N 0.24 0.26 -0.25 0.86 1.57 -2.01 -3.02 116.57 114.22 1yaj h LYS 92 Ca 0.56 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 59.06 1yaj h LYS 92 Cb 1.72 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 34.06 1yaj h LYS 92 CO -0.18 0.87 -0.08 0.00 -0.57 0.00 0.00 179.45 179.49 1yaj h ALA 93 N 0.40 0.35 -0.31 3.86 0.00 -1.43 -3.01 119.26 119.11 1yaj h ALA 93 Ca -0.02 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.68 1yaj h ALA 93 Cb 0.92 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.54 1yaj h ALA 93 CO 0.05 0.16 -0.33 0.78 0.00 0.00 0.00 179.25 179.92 1yaj h GLY 94 N 0.23 -0.33 0.64 0.00 0.00 0.80 -0.41 103.07 104.00 1yaj h GLY 94 Ca 0.06 0.41 0.01 0.00 0.00 0.00 0.00 47.33 47.81 1yaj h GLY 94 CO 0.03 -0.21 -0.26 -1.61 0.00 0.00 0.00 176.54 174.49 1yaj h GLN 95 N -0.30 -0.50 -0.35 4.80 4.15 -1.57 0.78 115.11 122.11 1yaj h GLN 95 Ca 0.14 0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.66 1yaj h GLN 95 Cb 0.54 0.11 -0.08 0.00 0.21 0.00 0.00 27.48 28.26 1yaj h GLN 95 CO -0.48 -0.34 -0.45 1.25 -1.93 0.00 0.00 178.83 176.89 1yaj h LEU 96 N -0.52 -1.47 -0.99 -2.39 5.85 -1.30 0.81 115.31 115.29 1yaj h LEU 96 Ca 0.01 0.21 0.05 0.00 0.84 0.00 0.00 57.88 59.00 1yaj h LEU 96 Cb 0.51 0.63 -0.06 0.00 0.37 0.00 0.00 40.66 42.10 1yaj h LEU 96 CO -0.10 -0.39 0.64 0.25 -0.34 0.00 0.00 178.44 178.51 1yaj h LEU 97 N -0.37 1.04 -1.39 2.25 5.85 -0.93 0.48 115.31 122.24 1yaj h LEU 97 Ca 0.12 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1yaj h LEU 97 Cb 0.60 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1yaj h LEU 97 CO -0.54 0.68 0.00 -1.28 -0.34 0.00 0.00 178.44 176.96 1yaj h SER 98 N 1.19 0.00 0.14 1.25 0.87 0.18 -1.68 113.55 115.50 1yaj h SER 98 Ca 0.42 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.79 1yaj h SER 98 Cb 0.10 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.08 1yaj h SER 98 CO -0.16 0.00 -0.83 -0.33 -0.53 0.00 0.00 176.83 174.99 1yaj h GLU 99 N 0.00 0.29 0.00 2.24 5.08 0.26 -2.74 114.58 119.71 1yaj h GLU 99 Ca 0.00 -0.50 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1yaj h GLU 99 Cb 0.48 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1yaj h GLU 99 CO 0.00 1.24 0.00 -0.07 -1.00 0.00 0.00 179.01 179.18 1yaj h LEU 100 N -0.38 0.00 0.00 1.33 3.38 -1.07 -3.32 115.31 115.25 1yaj h LEU 100 Ca -0.15 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1yaj h LEU 100 Cb 1.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.38 1yaj h LEU 100 CO 0.15 0.00 -1.95 0.49 0.09 0.00 0.00 178.44 177.21 1yaj n PHE 101 N -3.03 0.09 -0.82 1.13 3.01 -0.64 -5.00 117.46 112.19 1yaj n PHE 101 Ca 0.04 0.03 -0.33 0.00 1.01 0.00 0.00 57.45 58.19 1yaj n PHE 101 Cb 0.50 -0.59 0.12 0.00 -0.01 0.00 0.00 39.48 39.50 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 -2.34 0.11 -0.33 4.37 5.66 -1.03 -4.89 114.28 115.82 1yaj n THR 102 Ca -0.06 -0.19 0.00 0.00 -3.05 0.00 0.00 64.05 60.75 1yaj n THR 102 Cb 0.62 -0.65 0.00 0.00 -1.55 0.00 0.00 70.33 68.75 1yaj n THR 102 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1yaj n ASN 103 N -1.42 1.11 -4.99 1.09 6.94 -1.25 -4.94 115.26 111.80 1yaj n ASN 103 Ca 0.07 -1.44 -0.19 0.00 -0.02 0.00 0.00 54.58 53.00 1yaj n ASN 103 Cb 0.53 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.95 1yaj n ASN 103 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1yaj s ARG 104 N -0.44 3.07 0.09 -3.83 1.70 -1.26 -4.45 118.95 113.82 1yaj s ARG 104 Ca 0.00 -1.02 -0.35 0.00 -0.47 0.00 0.00 55.73 53.88 1yaj s ARG 104 Cb 0.00 -2.80 -0.16 0.00 -0.57 0.00 0.00 34.95 31.42 1yaj s ARG 104 CO 0.00 -0.01 1.56 -0.22 -1.08 0.00 0.00 175.30 175.55 1yaj h LYS 105 N 0.82 -0.87 -6.19 3.89 3.64 -1.95 -3.44 116.57 112.48 1yaj h LYS 105 Ca -0.45 0.06 -0.52 0.00 -1.27 0.00 0.00 60.65 58.47 1yaj h LYS 105 Cb 1.26 0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 33.23 1yaj h LYS 105 CO 0.52 -0.58 -0.52 -1.83 -2.27 0.00 0.00 179.45 174.76 1yaj s GLU 106 N -5.83 3.01 0.13 1.90 1.03 -1.26 -4.99 118.70 112.68 1yaj s GLU 106 Ca -0.17 -0.94 -0.07 0.00 0.03 0.00 0.00 54.97 53.81 1yaj s GLU 106 Cb 0.05 -2.65 -0.06 0.00 -0.80 0.00 0.00 34.13 30.68 1yaj s GLU 106 CO 0.61 0.43 0.40 1.21 -1.33 0.00 0.00 175.26 176.59 1yaj s ASN 107 N -3.63 6.56 -0.38 0.83 3.04 -1.26 -4.99 114.94 115.12 1yaj s ASN 107 Ca 0.33 0.70 -0.08 0.00 0.04 0.00 0.00 52.86 53.85 1yaj s ASN 107 Cb -0.09 -2.14 0.06 0.00 -1.54 0.00 0.00 41.25 37.54 1yaj s ASN 107 CO 0.25 0.08 0.18 -0.63 -3.04 0.00 0.00 177.10 173.95 1yaj s ILE 108 N -1.58 4.02 0.01 -5.21 -1.09 -1.26 -5.07 121.20 111.01 1yaj s ILE 108 Ca 0.39 -1.27 -0.30 0.00 -2.23 0.00 0.00 60.65 57.24 1yaj s ILE 108 Cb -0.13 -3.37 -0.05 0.00 -1.58 0.00 0.00 42.46 37.33 1yaj s ILE 108 CO 0.22 -0.35 1.37 -2.16 -1.23 0.00 0.00 174.94 172.78 1yaj s PRO 109 N 1.41 4.30 0.48 2.79 0.04 -1.26 -4.97 135.00 137.80 1yaj s PRO 109 Ca 0.01 1.93 0.06 0.00 0.04 0.00 0.00 61.00 63.04 1yaj s PRO 109 Cb -0.21 -3.53 0.06 0.00 0.04 0.00 0.00 34.50 30.86 1yaj s PRO 109 CO 0.02 -0.53 0.50 1.28 0.04 0.00 0.00 177.00 178.31 1yaj n LEU 110 N 5.17 0.00 -4.46 -3.56 4.77 -1.26 -5.14 117.00 112.52 1yaj n LEU 110 Ca 0.13 -2.29 -0.29 0.00 -0.03 0.00 0.00 56.01 53.53 1yaj n LEU 110 Cb 0.44 -0.18 -0.12 0.00 -2.33 0.00 0.00 43.42 41.23 1yaj n LEU 110 CO 0.58 -0.60 -0.51 -0.75 -1.33 0.00 0.00 177.39 174.78 1yaj s LYS 111 N -4.06 1.67 0.02 3.23 2.47 -1.26 -4.94 119.74 116.87 1yaj s LYS 111 Ca 0.38 -1.27 -0.10 0.00 -1.56 0.00 0.00 55.97 53.42 1yaj s LYS 111 Cb -0.03 -2.03 -0.05 0.00 -1.46 0.00 0.00 37.83 34.26 1yaj s LYS 111 CO 0.24 0.46 0.34 -0.51 0.16 0.00 0.00 175.35 176.04 1yaj s LEU 112 N -2.22 4.39 -0.29 5.43 1.43 -1.26 0.15 118.68 126.30 1yaj s LEU 112 Ca 0.18 0.73 -0.25 0.00 -1.03 0.00 0.00 54.13 53.75 1yaj s LEU 112 Cb -0.10 -2.73 0.17 0.00 0.03 0.00 0.00 46.19 43.57 1yaj s LEU 112 CO 0.09 0.25 1.32 -0.55 0.23 0.00 0.00 176.35 177.70 1yaj s SER 113 N -1.54 -0.16 0.64 2.29 0.15 -0.92 -4.89 113.70 109.28 1yaj s SER 113 Ca 0.28 0.30 0.40 0.00 0.70 0.00 0.00 55.95 57.63 1yaj s SER 113 Cb -0.14 0.30 2.24 0.00 -1.71 0.00 0.00 66.02 66.71 1yaj s SER 113 CO 0.15 -0.06 2.33 -0.33 1.20 0.00 0.00 173.24 176.53 1yaj h GLU 114 N 3.33 0.00 -5.11 5.44 5.08 -1.94 -3.29 114.58 118.08 1yaj h GLU 114 Ca -0.26 0.00 -0.71 0.00 -1.00 0.00 0.00 59.36 57.39 1yaj h GLU 114 Cb 1.19 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.29 1yaj h GLU 114 CO 0.17 0.00 1.46 0.34 -1.00 0.00 0.00 179.01 179.98 1yaj s ASP 115 N -5.45 6.92 0.00 1.42 2.15 -1.26 -4.51 116.67 115.93 1yaj s ASP 115 Ca -0.05 -2.63 0.00 0.00 0.43 0.00 0.00 52.55 50.30 1yaj s ASP 115 Cb 0.13 -2.45 0.00 0.00 -0.30 0.00 0.00 42.92 40.31 1yaj s ASP 115 CO 0.45 -0.93 0.13 0.00 -0.17 0.00 0.00 175.17 174.65 1yaj n LEU 117 N -0.04 2.86 -4.74 0.00 4.77 -1.26 -4.69 117.00 113.90 1yaj n LEU 117 Ca 0.00 -2.29 -0.29 0.00 -0.03 0.00 0.00 56.01 53.40 1yaj n LEU 117 Cb 0.15 -0.86 -0.07 0.00 -2.33 0.00 0.00 43.42 40.30 1yaj n LEU 117 CO 0.00 -0.85 -0.19 -0.31 -1.33 0.00 0.00 177.39 174.71 1yaj s TYR 118 N 5.46 2.17 -0.08 -1.77 1.51 -1.26 -2.93 117.35 120.43 1yaj s TYR 118 Ca 0.54 -0.78 -0.17 0.00 -1.01 0.00 0.00 57.07 55.65 1yaj s TYR 118 Cb 0.13 -1.78 0.04 0.00 -0.11 0.00 0.00 41.96 40.23 1yaj s TYR 118 CO 0.16 0.16 0.41 -0.48 -1.11 0.00 0.00 175.55 174.70 1yaj s LEU 119 N -3.91 0.42 -0.07 -1.29 0.05 -0.69 -2.56 118.68 110.63 1yaj s LEU 119 Ca 0.26 0.51 0.02 0.00 0.05 0.00 0.00 54.13 54.97 1yaj s LEU 119 Cb 0.04 1.54 -0.02 0.00 -2.05 0.00 0.00 46.19 45.69 1yaj s LEU 119 CO 0.14 -0.34 -0.13 0.20 -0.55 0.00 0.00 176.35 175.67 1yaj s ASN 120 N -0.64 4.09 -0.06 1.48 0.01 -0.81 -0.78 114.94 118.22 1yaj s ASN 120 Ca -0.07 -0.22 0.04 0.00 -0.71 0.00 0.00 52.86 51.90 1yaj s ASN 120 Cb -0.04 -1.09 -0.02 0.00 0.41 0.00 0.00 41.25 40.51 1yaj s ASN 120 CO 0.03 0.30 -0.19 -0.63 -1.51 0.00 0.00 177.10 175.10 1yaj s ILE 121 N -0.43 2.61 -0.41 0.60 1.01 0.34 -1.71 121.20 123.21 1yaj s ILE 121 Ca 0.05 -0.87 0.03 0.00 0.00 0.00 0.00 60.65 59.86 1yaj s ILE 121 Cb -0.12 -2.00 0.11 0.00 0.01 0.00 0.00 42.46 40.46 1yaj s ILE 121 CO 0.02 0.57 0.15 -0.31 0.00 0.00 0.00 174.94 175.37 1yaj s TYR 122 N -0.36 3.20 -0.15 3.97 1.51 0.25 -0.07 117.35 125.71 1yaj s TYR 122 Ca 0.03 -2.90 -0.01 0.00 -1.01 0.00 0.00 57.07 53.18 1yaj s TYR 122 Cb -0.12 -2.68 -0.02 0.00 -0.11 0.00 0.00 41.96 39.03 1yaj s TYR 122 CO 0.02 -0.85 -0.10 -0.08 -1.11 0.00 0.00 175.55 173.43 1yaj s THR 123 N 0.50 3.31 -0.54 -0.71 -1.32 -0.58 -1.10 115.64 115.21 1yaj s THR 123 Ca 0.14 -0.56 0.15 0.00 -1.21 0.00 0.00 61.69 60.20 1yaj s THR 123 Cb -0.22 -2.42 0.79 0.00 -1.51 0.00 0.00 72.50 69.14 1yaj s THR 123 CO -0.06 0.51 1.70 -0.81 -2.21 0.00 0.00 174.62 173.75 1yaj n PRO 124 N 3.65 4.52 -2.22 7.08 -0.04 -1.26 -0.53 135.00 146.20 1yaj n PRO 124 Ca -0.18 -3.04 -0.26 0.00 -0.04 0.00 0.00 63.50 59.98 1yaj n PRO 124 Cb 0.52 -2.15 0.06 0.00 -0.04 0.00 0.00 33.50 31.89 1yaj n PRO 124 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1yaj s ALA 125 N -2.47 3.15 -0.75 0.55 0.00 -1.26 -4.91 121.76 116.08 1yaj s ALA 125 Ca 0.53 -0.82 -0.10 0.00 0.00 0.00 0.00 51.96 51.57 1yaj s ALA 125 Cb 0.39 -2.64 0.20 0.00 0.00 0.00 0.00 23.12 21.06 1yaj s ALA 125 CO 0.19 -1.19 0.64 0.34 0.00 0.00 0.00 175.76 175.74 1yaj s ASP 126 N -4.46 6.22 0.61 0.00 2.15 -1.26 -4.79 116.67 115.15 1yaj s ASP 126 Ca 0.59 -2.71 0.24 0.00 0.43 0.00 0.00 52.55 51.10 1yaj s ASP 126 Cb -0.11 -2.09 0.87 0.00 -0.30 0.00 0.00 42.92 41.30 1yaj s ASP 126 CO 0.45 -0.52 1.33 -0.07 -0.17 0.00 0.00 175.17 176.20 1yaj h LEU 127 N 7.58 0.00 -1.08 -1.34 3.38 -1.94 0.30 115.31 122.21 1yaj h LEU 127 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1yaj h LEU 127 Cb 1.01 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 1yaj h LEU 127 CO 0.75 0.00 0.43 0.71 0.09 0.00 0.00 178.44 180.42 1yaj h THR 128 N 0.00 1.23 -1.29 0.22 1.35 -1.98 -3.44 112.91 109.00 1yaj h THR 128 Ca 0.40 -0.55 -0.48 0.00 -0.55 0.00 0.00 66.41 65.23 1yaj h THR 128 Cb 2.61 0.17 0.05 0.00 -1.73 0.00 0.00 68.15 69.25 1yaj h THR 128 CO -0.00 0.25 -0.02 -0.54 -0.25 0.00 0.00 175.52 174.95 1yaj s LYS 129 N -5.73 2.06 -0.86 4.72 1.02 0.11 -5.05 119.74 116.00 1yaj s LYS 129 Ca -0.11 -1.45 -0.12 0.00 0.02 0.00 0.00 55.97 54.31 1yaj s LYS 129 Cb 0.17 -2.53 0.22 0.00 -0.52 0.00 0.00 37.83 35.18 1yaj s LYS 129 CO 0.80 -1.09 0.80 0.21 -0.92 0.00 0.00 175.35 175.15 1yaj s LYS 130 N -4.85 3.60 0.11 1.68 2.20 -1.26 -4.90 119.74 116.33 1yaj s LYS 130 Ca 0.64 -2.62 -0.12 0.00 -0.36 0.00 0.00 55.97 53.50 1yaj s LYS 130 Cb -0.05 -4.37 -0.06 0.00 -1.51 0.00 0.00 37.83 31.83 1yaj s LYS 130 CO 0.41 -1.27 0.48 -0.80 -0.36 0.00 0.00 175.35 173.81 1yaj s ASN 131 N 1.81 6.74 -0.42 1.43 0.01 -1.26 -5.03 114.94 118.22 1yaj s ASN 131 Ca 0.20 0.95 0.09 0.00 -0.71 0.00 0.00 52.86 53.39 1yaj s ASN 131 Cb -0.11 -2.24 0.30 0.00 0.41 0.00 0.00 41.25 39.62 1yaj s ASN 131 CO -0.08 0.14 0.67 0.54 -1.51 0.00 0.00 177.10 176.86 1yaj n ARG 132 N 0.87 1.23 -2.13 -0.60 3.00 -1.23 -3.75 116.66 114.06 1yaj n ARG 132 Ca -0.07 -3.58 -0.29 0.00 -0.01 0.00 0.00 57.85 53.90 1yaj n ARG 132 Cb 0.52 -1.62 0.02 0.00 0.00 0.00 0.00 32.46 31.38 1yaj n ARG 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1yaj s LEU 133 N -2.07 3.20 0.48 0.55 1.02 -0.63 -4.25 118.68 116.98 1yaj s LEU 133 Ca 0.39 1.09 -0.23 0.00 0.02 0.00 0.00 54.13 55.40 1yaj s LEU 133 Cb 0.26 -3.99 -0.07 0.00 0.02 0.00 0.00 46.19 42.41 1yaj s LEU 133 CO -0.09 -1.00 1.22 -2.16 0.02 0.00 0.00 176.35 174.34 1yaj s PRO 134 N -5.11 3.62 -0.06 1.29 0.04 -1.26 0.16 135.00 133.68 1yaj s PRO 134 Ca 0.54 1.92 0.02 0.00 0.04 0.00 0.00 61.00 63.52 1yaj s PRO 134 Cb -0.11 -2.40 -0.03 0.00 0.04 0.00 0.00 34.50 32.00 1yaj s PRO 134 CO 0.50 -0.70 -0.10 0.08 0.04 0.00 0.00 177.00 176.82 1yaj s VAL 135 N -1.46 3.47 -0.20 -0.36 1.01 -0.90 -1.89 120.40 120.08 1yaj s VAL 135 Ca 0.65 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 62.05 1yaj s VAL 135 Cb -0.32 -2.40 0.05 0.00 0.00 0.00 0.00 36.38 33.70 1yaj s VAL 135 CO 0.39 0.59 -0.09 -0.04 0.00 0.00 0.00 175.10 175.95 1yaj s MET 136 N -0.82 1.87 -0.04 2.72 -1.94 -0.18 0.54 119.30 121.45 1yaj s MET 136 Ca 0.12 -0.81 -0.15 0.00 -1.71 0.00 0.00 55.69 53.14 1yaj s MET 136 Cb -0.11 -2.38 -0.05 0.00 2.01 0.00 0.00 34.83 34.30 1yaj s MET 136 CO 0.01 -0.46 0.40 0.08 -0.01 0.00 0.00 175.02 175.05 1yaj s VAL 137 N 1.44 5.10 -0.23 -6.03 1.01 -0.51 -0.87 120.40 120.31 1yaj s VAL 137 Ca -0.02 0.81 -0.03 0.00 0.00 0.00 0.00 61.98 62.75 1yaj s VAL 137 Cb -0.16 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1yaj s VAL 137 CO -0.08 0.51 -0.06 0.86 0.00 0.00 0.00 175.10 176.34 1yaj s TRP 138 N -0.59 2.97 -0.59 5.22 -0.11 0.17 -1.74 118.94 124.27 1yaj s TRP 138 Ca 0.23 -1.18 -0.17 0.00 1.22 0.00 0.00 56.10 56.20 1yaj s TRP 138 Cb -0.16 -2.08 0.12 0.00 -1.50 0.00 0.00 33.47 29.86 1yaj s TRP 138 CO 0.12 -0.63 0.61 0.42 -4.62 0.00 0.00 176.95 172.85 1yaj s ILE 139 N 1.42 5.06 0.85 5.86 1.01 -0.32 -2.74 121.20 132.34 1yaj s ILE 139 Ca 0.04 -1.35 -0.13 0.00 0.00 0.00 0.00 60.65 59.21 1yaj s ILE 139 Cb -0.15 -4.42 0.08 0.00 0.01 0.00 0.00 42.46 37.98 1yaj s ILE 139 CO -0.04 -1.00 0.98 0.00 0.00 0.00 0.00 174.94 174.88 1yaj n HIS 140 N 5.65 0.48 -2.12 3.97 1.44 -1.26 -3.84 115.22 119.54 1yaj n HIS 140 Ca -0.10 0.37 0.00 0.00 -2.01 0.00 0.00 57.72 55.98 1yaj n HIS 140 Cb 0.42 -2.00 0.00 0.00 0.12 0.00 0.00 29.99 28.52 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 0.76 1.86 0.00 -1.39 0.00 -1.18 -3.32 105.19 101.92 1yaj n GLY 141 Ca 0.12 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1yaj n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yaj n GLY 142 N 5.00 1.20 2.53 -0.02 0.00 -1.26 -4.51 105.19 108.13 1yaj n GLY 142 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1yaj n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yaj n GLY 143 N 0.00 1.03 2.75 -0.02 0.00 -1.26 -1.09 105.19 106.59 1yaj n GLY 143 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1yaj n GLY 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1yaj n LEU 144 N -2.63 -0.29 -0.01 0.99 4.77 -1.26 -4.73 117.00 113.84 1yaj n LEU 144 Ca -0.23 0.25 -0.01 0.00 -0.03 0.00 0.00 56.01 56.00 1yaj n LEU 144 Cb 0.69 -2.56 -0.01 0.00 -2.33 0.00 0.00 43.42 39.21 1yaj n LEU 144 CO 0.31 -0.98 -0.56 0.23 -1.33 0.00 0.00 177.39 175.05 1yaj n MET 145 N -0.89 2.75 -4.21 3.23 2.81 -0.64 -0.00 117.12 120.15 1yaj n MET 145 Ca -0.10 0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.62 1yaj n MET 145 Cb 0.56 -1.04 -0.07 0.00 -0.71 0.00 0.00 33.22 31.96 1yaj n MET 145 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1yaj s VAL 146 N -2.04 0.00 0.00 2.03 -7.23 -0.25 -4.50 120.40 108.41 1yaj s VAL 146 Ca -0.01 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.30 1yaj s VAL 146 Cb 0.01 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.39 1yaj s VAL 146 CO 0.07 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.47 1yaj n GLY 147 N -0.59 2.18 3.55 2.32 0.00 -1.26 -4.13 105.19 107.26 1yaj n GLY 147 Ca 0.05 -1.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.00 1yaj n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj s ALA 148 N -2.55 -0.32 0.02 4.61 0.00 -1.26 -4.69 121.76 117.56 1yaj s ALA 148 Ca 0.00 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.20 1yaj s ALA 148 Cb 0.00 1.01 -0.25 0.00 0.00 0.00 0.00 23.12 23.88 1yaj s ALA 148 CO 0.00 -0.83 0.90 0.00 0.00 0.00 0.00 175.76 175.84 1yaj h ALA 149 N 2.28 0.41 0.00 0.00 0.00 -1.92 -3.33 119.26 116.70 1yaj h ALA 149 Ca -0.27 -1.15 -0.00 0.00 0.00 0.00 0.00 54.91 53.49 1yaj h ALA 149 Cb 1.25 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 1yaj h ALA 149 CO 0.37 1.28 -0.01 0.77 0.00 0.00 0.00 179.25 181.65 1yaj h SER 150 N 0.04 0.00 -0.02 0.00 0.02 -1.91 -2.11 113.55 109.56 1yaj h SER 150 Ca -0.20 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.76 1yaj h SER 150 Cb 1.95 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.49 1yaj h SER 150 CO 0.13 0.01 0.05 0.74 -1.14 0.00 0.00 176.83 176.62 1yaj h THR 151 N 0.00 0.27 -3.52 -2.27 2.02 -1.94 -3.39 112.91 104.08 1yaj h THR 151 Ca -0.00 0.00 -0.66 0.00 0.77 0.00 0.00 66.41 66.52 1yaj h THR 151 Cb 0.09 0.96 -0.26 0.00 -1.74 0.00 0.00 68.15 67.19 1yaj h THR 151 CO 0.00 0.00 -0.67 -0.31 0.37 0.00 0.00 175.52 174.91 1yaj s TYR 152 N -4.41 3.04 -0.41 3.16 1.51 -0.80 -3.89 117.35 115.56 1yaj s TYR 152 Ca -0.05 -0.82 -0.17 0.00 -1.01 0.00 0.00 57.07 55.01 1yaj s TYR 152 Cb 0.14 -2.18 0.02 0.00 -0.11 0.00 0.00 41.96 39.83 1yaj s TYR 152 CO 0.47 -0.51 0.44 0.34 -1.11 0.00 0.00 175.55 175.19 1yaj s ASP 153 N 1.52 6.21 -0.05 2.29 3.68 -1.26 -4.97 116.67 124.08 1yaj s ASP 153 Ca 0.05 -0.58 0.09 0.00 2.13 0.00 0.00 52.55 54.25 1yaj s ASP 153 Cb -0.15 -2.23 0.36 0.00 -1.45 0.00 0.00 42.92 39.45 1yaj s ASP 153 CO -0.00 -0.56 1.20 0.61 0.13 0.00 0.00 175.17 176.55 1yaj n GLY 154 N 5.08 1.38 0.19 2.66 0.00 -1.26 -4.44 105.19 108.80 1yaj n GLY 154 Ca -0.07 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 1yaj n GLY 154 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1yaj h LEU 155 N 2.07 -0.46 0.42 0.99 5.85 -1.93 -0.43 115.31 121.82 1yaj h LEU 155 Ca 0.00 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1yaj h LEU 155 Cb 0.81 0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.08 1yaj h LEU 155 CO 0.11 -0.19 -0.20 0.00 -0.34 0.00 0.00 178.44 177.81 1yaj h ALA 156 N 0.91 -0.56 -0.97 1.25 0.00 -1.87 -2.04 119.26 115.99 1yaj h ALA 156 Ca 0.10 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.00 1yaj h ALA 156 Cb 0.32 0.22 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 1yaj h ALA 156 CO -0.26 -0.70 0.61 1.25 0.00 0.00 0.00 179.25 180.16 1yaj h LEU 157 N -0.80 0.76 0.71 0.00 5.85 -1.80 0.15 115.31 120.18 1yaj h LEU 157 Ca -0.06 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1yaj h LEU 157 Cb 0.54 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.50 1yaj h LEU 157 CO 0.09 0.33 -0.34 0.00 -0.34 0.00 0.00 178.44 178.19 1yaj h ALA 158 N 1.60 -0.95 0.13 1.25 0.00 -0.98 -2.80 119.26 117.51 1yaj h ALA 158 Ca 0.52 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1yaj h ALA 158 Cb 0.79 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1yaj h ALA 158 CO -0.29 -0.89 -0.06 0.00 0.00 0.00 0.00 179.25 178.00 1yaj h ALA 159 N -1.18 -0.17 -0.37 0.00 0.00 -1.01 0.78 119.26 117.30 1yaj h ALA 159 Ca -0.10 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.75 1yaj h ALA 159 Cb 0.74 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1yaj h ALA 159 CO 0.16 -0.50 0.25 0.45 0.00 0.00 0.00 179.25 179.61 1yaj h HIS 160 N -0.37 0.25 0.00 0.00 -0.00 -0.84 -3.00 115.15 111.19 1yaj h HIS 160 Ca -0.02 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1yaj h HIS 160 Cb 0.30 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 27.62 1yaj h HIS 160 CO -0.01 0.13 -0.00 0.39 -0.00 0.00 0.00 177.93 178.44 1yaj n GLU 161 N -4.48 2.67 -3.68 2.45 -0.58 -1.05 -5.03 120.64 110.95 1yaj n GLU 161 Ca 0.05 -1.59 -0.25 0.00 -0.42 0.00 0.00 57.16 54.94 1yaj n GLU 161 Cb 0.26 -1.04 0.01 0.00 -0.57 0.00 0.00 31.44 30.10 1yaj n GLU 161 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1yaj n ASN 162 N -0.59 -5.22 -3.72 1.62 4.05 0.27 -4.99 115.26 106.67 1yaj n ASN 162 Ca 0.02 -0.74 -0.14 0.00 0.45 0.00 0.00 54.58 54.17 1yaj n ASN 162 Cb 0.31 -1.99 -0.08 0.00 1.23 0.00 0.00 39.78 39.25 1yaj n ASN 162 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1yaj s VAL 163 N -2.73 0.05 -0.26 3.44 -7.23 -0.94 -4.73 120.40 108.00 1yaj s VAL 163 Ca 0.07 -0.44 -0.26 0.00 -1.81 0.00 0.00 61.98 59.54 1yaj s VAL 163 Cb -0.01 -0.72 0.00 0.00 0.56 0.00 0.00 36.38 36.21 1yaj s VAL 163 CO 0.88 -0.24 0.88 -0.69 -0.31 0.00 0.00 175.10 175.62 1yaj s VAL 164 N -1.54 4.76 -0.22 1.32 1.01 -0.79 -4.32 120.40 120.61 1yaj s VAL 164 Ca -0.12 1.58 -0.08 0.00 0.00 0.00 0.00 61.98 63.36 1yaj s VAL 164 Cb -0.04 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1yaj s VAL 164 CO 0.04 -0.18 0.08 -0.69 0.00 0.00 0.00 175.10 174.34 1yaj s VAL 165 N 3.02 4.64 0.11 2.92 1.01 -0.25 -1.01 120.40 130.84 1yaj s VAL 165 Ca 0.37 -0.07 0.10 0.00 0.00 0.00 0.00 61.98 62.38 1yaj s VAL 165 Cb -0.15 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 1yaj s VAL 165 CO 0.09 0.38 -0.26 -0.69 0.00 0.00 0.00 175.10 174.62 1yaj s VAL 166 N 1.05 2.19 -0.08 2.92 1.01 -0.05 -0.58 120.40 126.85 1yaj s VAL 166 Ca 0.04 -1.65 0.00 0.00 0.00 0.00 0.00 61.98 60.37 1yaj s VAL 166 Cb -0.14 -1.92 0.02 0.00 0.00 0.00 0.00 36.38 34.34 1yaj s VAL 166 CO 0.03 0.14 -0.07 0.42 0.00 0.00 0.00 175.10 175.63 1yaj s THR 167 N -1.01 0.84 0.46 3.92 -4.23 -0.69 0.45 115.64 115.38 1yaj s THR 167 Ca 0.13 -0.23 0.08 0.00 -1.18 0.00 0.00 61.69 60.49 1yaj s THR 167 Cb -0.10 -0.86 0.01 0.00 1.34 0.00 0.00 72.50 72.89 1yaj s THR 167 CO 0.05 0.32 0.51 0.27 -0.54 0.00 0.00 174.62 175.23 1yaj s ILE 168 N 1.37 2.60 0.19 2.99 -4.36 -1.11 -1.92 121.20 120.96 1yaj s ILE 168 Ca -0.03 -1.18 0.03 0.00 -0.26 0.00 0.00 60.65 59.21 1yaj s ILE 168 Cb -0.14 -2.78 -0.05 0.00 1.25 0.00 0.00 42.46 40.75 1yaj s ILE 168 CO -0.03 0.00 -0.01 -1.10 0.24 0.00 0.00 174.94 174.04 1yaj s GLN 169 N -4.31 1.20 -0.17 0.37 -0.21 -1.06 -4.27 119.66 111.21 1yaj s GLN 169 Ca 0.51 -1.58 -0.29 0.00 0.02 0.00 0.00 55.36 54.02 1yaj s GLN 169 Cb -0.06 -0.44 0.11 0.00 1.00 0.00 0.00 33.01 33.62 1yaj s GLN 169 CO 0.31 -0.10 0.91 1.52 -2.12 0.00 0.00 175.29 175.81 1yaj s TYR 170 N -3.53 -0.50 0.09 0.91 1.13 -1.26 -4.70 117.35 109.50 1yaj s TYR 170 Ca 0.25 0.97 -0.36 0.00 -1.41 0.00 0.00 57.07 56.52 1yaj s TYR 170 Cb 0.06 0.41 -0.17 0.00 -1.10 0.00 0.00 41.96 41.15 1yaj s TYR 170 CO 0.06 -0.38 1.32 0.54 -2.51 0.00 0.00 175.55 174.57 1yaj n ARG 171 N 1.27 1.14 -4.36 -3.49 1.74 -1.26 -4.87 116.66 106.83 1yaj n ARG 171 Ca -0.13 0.41 -0.29 0.00 -0.77 0.00 0.00 57.85 57.07 1yaj n ARG 171 Cb 0.57 -2.04 -0.12 0.00 -1.02 0.00 0.00 32.46 29.85 1yaj n ARG 171 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1yaj s LEU 172 N 0.50 2.64 0.00 0.55 1.43 -1.26 -4.04 118.68 118.50 1yaj s LEU 172 Ca 0.83 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 1yaj s LEU 172 Cb -0.95 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 43.77 1yaj s LEU 172 CO 0.47 0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.85 1yaj n GLY 173 N 0.89 1.46 0.27 -3.19 0.00 0.99 -3.69 105.19 101.92 1yaj n GLY 173 Ca -0.16 -0.69 -0.05 0.00 0.00 0.00 0.00 46.02 45.12 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 0.36 -0.83 -0.61 2.04 -1.93 0.04 117.51 116.58 1yaj h ILE 174 Ca 0.00 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.03 1yaj h ILE 174 Cb 0.00 0.36 -0.06 0.00 -0.74 0.00 0.00 36.82 36.38 1yaj h ILE 174 CO 0.00 0.00 0.55 -0.50 0.00 0.00 0.00 178.15 178.20 1yaj h TRP 175 N -0.13 0.53 -0.01 1.37 6.55 -1.93 -2.11 115.95 120.22 1yaj h TRP 175 Ca 0.21 0.02 0.00 0.00 0.95 0.00 0.00 58.89 60.07 1yaj h TRP 175 Cb 0.46 -0.17 0.00 0.00 -0.86 0.00 0.00 29.16 28.60 1yaj h TRP 175 CO -0.48 0.17 -0.18 0.41 -1.05 0.00 0.00 178.44 177.31 1yaj n GLY 176 N -1.51 -0.18 0.18 1.49 0.00 -0.76 -4.39 105.19 100.01 1yaj n GLY 176 Ca 0.17 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1yaj n GLY 176 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1yaj n PHE 177 N -0.25 0.00 -2.23 1.61 3.72 -0.07 0.11 117.46 120.35 1yaj n PHE 177 Ca 0.04 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.01 1yaj n PHE 177 Cb 0.19 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.70 1yaj n PHE 177 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 1yaj s PHE 178 N 0.00 2.71 -0.02 1.38 2.19 -0.80 -4.56 117.98 118.87 1yaj s PHE 178 Ca 0.00 0.75 0.00 0.00 0.33 0.00 0.00 56.93 58.02 1yaj s PHE 178 Cb 0.00 -3.67 0.03 0.00 -1.31 0.00 0.00 43.02 38.07 1yaj s PHE 178 CO 0.00 -2.52 0.01 0.45 1.83 0.00 0.00 175.22 174.99 1yaj s SER 179 N 2.15 0.25 0.00 6.13 0.15 -1.26 -4.05 113.70 117.07 1yaj s SER 179 Ca 0.64 0.00 0.27 0.00 0.70 0.00 0.00 55.95 57.56 1yaj s SER 179 Cb -0.30 -0.14 0.90 0.00 -1.71 0.00 0.00 66.02 64.77 1yaj s SER 179 CO 0.25 -0.11 1.67 0.35 1.20 0.00 0.00 173.24 176.60 1yaj n THR 180 N 4.09 0.00 0.00 6.45 -2.24 -1.18 -4.42 114.28 116.99 1yaj n THR 180 Ca -0.27 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1yaj n THR 180 Cb 0.51 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 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 1.39 3.16 0.00 3.38 0.00 -1.26 -4.06 105.19 107.80 1yaj n GLY 181 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1yaj n GLY 181 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1yaj n ASP 182 N 0.03 0.00 -0.68 1.61 3.85 -1.26 -4.94 116.55 115.15 1yaj n ASP 182 Ca 0.00 0.00 0.08 0.00 -0.71 0.00 0.00 54.79 54.16 1yaj n ASP 182 Cb 0.00 0.00 0.09 0.00 -1.35 0.00 0.00 41.12 39.86 1yaj n ASP 182 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 1yaj n GLU 183 N 0.00 1.47 -0.09 0.11 0.00 -1.26 -3.63 120.64 117.25 1yaj n GLU 183 Ca 0.00 -1.59 0.10 0.00 0.00 0.00 0.00 57.16 55.67 1yaj n GLU 183 Cb 0.00 -1.32 0.35 0.00 0.00 0.00 0.00 31.44 30.47 1yaj n GLU 183 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1yaj n HIS 184 N 0.91 0.24 0.00 -1.84 8.25 -1.26 -4.46 115.22 117.05 1yaj n HIS 184 Ca 0.10 -0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1yaj n HIS 184 Cb 0.42 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.53 1yaj n HIS 184 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1yaj n SER 185 N 0.28 0.00 -0.35 0.41 2.88 -1.26 -4.88 113.62 110.70 1yaj n SER 185 Ca 0.15 0.00 0.37 0.00 -1.33 0.00 0.00 58.87 58.06 1yaj n SER 185 Cb 0.31 0.00 0.73 0.00 -0.75 0.00 0.00 64.21 64.50 1yaj n SER 185 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1yaj h ARG 186 N 0.00 0.00 0.00 -1.46 3.08 -1.78 -3.11 114.38 111.11 1yaj h ARG 186 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1yaj h ARG 186 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1yaj h ARG 186 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1yaj n GLY 187 N -1.77 -2.12 2.29 0.04 0.00 -1.26 -4.43 105.19 97.94 1yaj n GLY 187 Ca 0.27 -1.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.42 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 0.36 -4.20 -0.31 1.61 3.02 -1.25 -4.90 115.26 109.58 1yaj n ASN 188 Ca 0.00 0.11 0.01 0.00 -0.03 0.00 0.00 54.58 54.66 1yaj n ASN 188 Cb 0.00 -3.19 0.14 0.00 -0.61 0.00 0.00 39.78 36.12 1yaj n ASN 188 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 1yaj h TRP 189 N 0.00 1.00 -0.72 3.10 -0.00 -1.22 -0.70 115.95 117.40 1yaj h TRP 189 Ca -0.29 0.03 0.07 0.00 -0.00 0.00 0.00 58.89 58.70 1yaj h TRP 189 Cb 1.08 -0.32 -0.06 0.00 -0.00 0.00 0.00 29.16 29.86 1yaj h TRP 189 CO 0.35 0.51 0.40 0.78 -0.00 0.00 0.00 178.44 180.48 1yaj h GLY 190 N 0.99 1.08 1.24 1.49 0.00 0.58 0.12 103.07 108.56 1yaj h GLY 190 Ca 0.37 -0.27 -0.19 0.00 0.00 0.00 0.00 47.33 47.24 1yaj h GLY 190 CO -0.17 0.14 -0.62 0.45 0.00 0.00 0.00 176.54 176.35 1yaj h HIS 191 N 0.71 1.01 0.00 5.60 3.86 -1.60 -2.02 115.15 122.70 1yaj h HIS 191 Ca 0.33 -0.39 -0.04 0.00 -1.16 0.00 0.00 60.37 59.12 1yaj h HIS 191 Cb 0.25 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 1yaj h HIS 191 CO -0.08 1.20 -0.17 -0.07 0.86 0.00 0.00 177.93 179.67 1yaj h LEU 192 N 0.58 0.00 -0.59 2.43 3.38 -0.77 0.31 115.31 120.66 1yaj h LEU 192 Ca -0.01 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 1yaj h LEU 192 Cb 1.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 1yaj h LEU 192 CO 0.13 0.17 -0.65 0.44 0.09 0.00 0.00 178.44 178.62 1yaj h ASP 193 N 0.00 0.26 -0.18 -0.43 5.19 -0.46 -1.69 116.42 119.10 1yaj h ASP 193 Ca -0.00 -0.16 -0.18 0.00 -0.62 0.00 0.00 57.03 56.07 1yaj h ASP 193 Cb 0.43 -0.08 0.01 0.00 0.18 0.00 0.00 39.33 39.87 1yaj h ASP 193 CO 0.02 0.84 -0.57 1.56 -3.12 0.00 0.00 179.24 177.97 1yaj h GLN 194 N 0.16 0.71 -0.32 3.56 4.20 -0.35 -2.84 115.11 120.22 1yaj h GLN 194 Ca -0.01 -0.52 -0.04 0.00 0.06 0.00 0.00 58.65 58.14 1yaj h GLN 194 Cb 1.18 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 29.03 1yaj h GLN 194 CO 0.10 1.14 0.03 0.28 -0.67 0.00 0.00 178.83 179.71 1yaj h VAL 195 N 0.42 1.17 -0.35 -0.54 2.07 -0.92 -2.46 116.25 115.64 1yaj h VAL 195 Ca -0.02 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1yaj h VAL 195 Cb 1.19 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1yaj h VAL 195 CO 0.12 0.23 0.19 0.00 0.02 0.00 0.00 177.57 178.13 1yaj h ALA 196 N 1.58 0.45 -0.10 1.67 0.00 -1.19 -2.09 119.26 119.58 1yaj h ALA 196 Ca 0.11 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1yaj h ALA 196 Cb 0.25 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1yaj h ALA 196 CO 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 179.25 179.29 1yaj h ALA 197 N 1.06 0.13 -0.84 0.00 0.00 -1.25 -2.28 119.26 116.08 1yaj h ALA 197 Ca 0.12 -0.04 0.24 0.00 0.00 0.00 0.00 54.91 55.24 1yaj h ALA 197 Cb 0.06 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1yaj h ALA 197 CO -0.02 -0.35 0.60 -0.07 0.00 0.00 0.00 179.25 179.41 1yaj h LEU 198 N 0.09 0.01 -0.14 0.00 3.38 -1.10 0.52 115.31 118.07 1yaj h LEU 198 Ca 0.04 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.80 1yaj h LEU 198 Cb 0.04 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.80 1yaj h LEU 198 CO -0.01 0.00 -0.73 0.03 0.09 0.00 0.00 178.44 177.83 1yaj h ARG 199 N 0.01 0.74 -0.47 1.13 3.08 -0.85 -2.33 114.38 115.70 1yaj h ARG 199 Ca 0.40 -0.61 0.03 0.00 0.07 0.00 0.00 59.98 59.87 1yaj h ARG 199 Cb 1.58 0.13 -0.03 0.00 0.08 0.00 0.00 29.97 31.73 1yaj h ARG 199 CO -0.01 1.22 0.26 2.35 -1.07 0.00 0.00 179.97 182.72 1yaj h TRP 200 N 0.45 0.48 0.55 3.04 7.01 0.47 -0.62 115.95 127.33 1yaj h TRP 200 Ca -0.05 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 60.94 1yaj h TRP 200 Cb 1.36 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 28.26 1yaj h TRP 200 CO 0.09 0.26 -0.41 0.28 -2.79 0.00 0.00 178.44 175.87 1yaj h VAL 201 N 0.52 0.00 -0.97 2.65 2.07 -1.05 0.19 116.25 119.66 1yaj h VAL 201 Ca 0.19 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.99 1yaj h VAL 201 Cb 0.06 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.79 1yaj h VAL 201 CO -0.11 0.00 0.96 1.56 0.02 0.00 0.00 177.57 180.00 1yaj h GLN 202 N -0.92 0.00 0.00 1.57 1.08 -1.00 0.11 115.11 115.95 1yaj h GLN 202 Ca -0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1yaj h GLN 202 Cb 0.77 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.20 1yaj h GLN 202 CO 0.03 0.00 -1.68 -0.25 -0.95 0.00 0.00 178.83 175.98 1yaj n ASP 203 N -3.59 0.65 0.00 1.46 8.00 -0.28 -4.80 116.55 118.00 1yaj n ASP 203 Ca 0.21 -0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.52 1yaj n ASP 203 Cb 1.27 1.70 0.00 0.00 -0.02 0.00 0.00 41.12 44.07 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 -2.02 2.87 0.23 -2.24 3.02 0.59 -4.78 115.26 112.93 1yaj n ASN 204 Ca -0.02 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.64 1yaj n ASN 204 Cb 0.46 0.20 0.41 0.00 -0.61 0.00 0.00 39.78 40.24 1yaj n ASN 204 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1yaj h ILE 205 N 0.00 0.04 0.00 2.41 6.09 -1.19 0.14 117.51 125.00 1yaj h ILE 205 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1yaj h ILE 205 Cb 0.62 0.29 0.00 0.00 0.47 0.00 0.00 36.82 38.19 1yaj h ILE 205 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.08 1yaj n ALA 206 N -1.82 1.31 0.67 0.18 0.00 -1.25 -1.14 120.51 118.46 1yaj n ALA 206 Ca 0.03 0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.64 1yaj n ALA 206 Cb 0.83 -1.24 -0.11 0.00 0.00 0.00 0.00 19.45 18.93 1yaj n ALA 206 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1yaj n SER 207 N -1.93 0.83 -1.66 0.00 7.64 0.49 -4.02 113.62 114.98 1yaj n SER 207 Ca 0.01 -0.73 0.07 0.00 1.01 0.00 0.00 58.87 59.24 1yaj n SER 207 Cb 0.10 1.18 0.36 0.00 -1.01 0.00 0.00 64.21 64.84 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 -1.58 1.68 -1.50 1.43 3.01 -0.29 -4.81 117.46 115.39 1yaj n PHE 208 Ca 0.02 -0.61 -0.06 0.00 1.01 0.00 0.00 57.45 57.81 1yaj n PHE 208 Cb 0.32 -0.37 -0.02 0.00 -0.01 0.00 0.00 39.48 39.41 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 0.82 0.59 3.76 1.37 0.00 -1.17 -4.75 105.19 105.82 1yaj n GLY 209 Ca 0.25 -0.73 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 1yaj n GLY 209 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1yaj s GLY 210 N -2.86 1.94 -0.33 -0.02 0.00 -0.62 -1.60 107.32 103.83 1yaj s GLY 210 Ca 0.00 -1.81 -0.06 0.00 0.00 0.00 0.00 44.72 42.85 1yaj s GLY 210 CO 0.00 -1.73 0.09 0.21 0.00 0.00 0.00 173.10 171.67 1yaj s ASN 211 N -3.89 5.23 0.00 1.64 2.47 0.42 -3.90 114.94 116.91 1yaj s ASN 211 Ca 0.39 -1.07 0.03 0.00 0.42 0.00 0.00 52.86 52.63 1yaj s ASN 211 Cb -0.03 -1.86 0.19 0.00 -1.45 0.00 0.00 41.25 38.11 1yaj s ASN 211 CO 0.24 -0.30 0.63 -0.81 -3.72 0.00 0.00 177.10 173.14 1yaj n PRO 212 N 4.81 0.11 -0.00 0.43 -0.04 -1.26 -1.36 135.00 137.69 1yaj n PRO 212 Ca -0.13 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.43 1yaj n PRO 212 Cb 0.45 -1.45 -0.12 0.00 -0.04 0.00 0.00 33.50 32.34 1yaj n PRO 212 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1yaj n GLY 213 N -0.74 -0.98 2.56 0.55 0.00 -1.26 -4.57 105.19 100.74 1yaj n GLY 213 Ca 0.02 -0.59 -0.19 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.57 2.67 -4.74 1.61 2.88 -0.46 -4.88 113.62 109.13 1yaj n SER 214 Ca 0.03 -3.20 -0.40 0.00 -1.33 0.00 0.00 58.87 53.97 1yaj n SER 214 Cb 0.35 -0.54 -0.05 0.00 -0.75 0.00 0.00 64.21 63.23 1yaj n SER 214 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1yaj s VAL 215 N -3.83 4.80 -0.17 2.46 1.01 -1.25 -2.11 120.40 121.31 1yaj s VAL 215 Ca 0.39 1.63 0.00 0.00 0.00 0.00 0.00 61.98 64.00 1yaj s VAL 215 Cb 0.39 -4.12 0.04 0.00 0.00 0.00 0.00 36.38 32.69 1yaj s VAL 215 CO -0.08 0.33 -0.09 -0.89 0.00 0.00 0.00 175.10 174.37 1yaj s THR 216 N 0.18 1.35 0.10 3.92 2.01 0.19 -0.69 115.64 122.70 1yaj s THR 216 Ca 0.39 -0.71 -0.06 0.00 0.31 0.00 0.00 61.69 61.63 1yaj s THR 216 Cb -0.20 -1.43 -0.05 0.00 0.01 0.00 0.00 72.50 70.83 1yaj s THR 216 CO 0.22 0.23 0.35 0.27 -0.69 0.00 0.00 174.62 175.00 1yaj s ILE 217 N 1.54 5.19 0.06 1.82 -4.36 -0.59 -1.42 121.20 123.44 1yaj s ILE 217 Ca 0.01 0.14 -0.27 0.00 -0.26 0.00 0.00 60.65 60.27 1yaj s ILE 217 Cb -0.15 -3.62 0.07 0.00 1.25 0.00 0.00 42.46 40.01 1yaj s ILE 217 CO -0.08 0.17 0.63 0.72 0.24 0.00 0.00 174.94 176.61 1yaj s PHE 218 N -1.52 -0.59 -0.14 1.37 -0.71 -0.71 -0.82 117.98 114.85 1yaj s PHE 218 Ca 0.36 0.69 -0.34 0.00 -1.04 0.00 0.00 56.93 56.60 1yaj s PHE 218 Cb -0.13 0.48 0.13 0.00 -1.21 0.00 0.00 43.02 42.30 1yaj s PHE 218 CO 0.22 -0.73 1.23 0.20 -1.34 0.00 0.00 175.22 174.79 1yaj s GLY 219 N -2.02 -0.32 0.07 1.99 0.00 -0.70 -1.18 107.32 105.16 1yaj s GLY 219 Ca -0.05 1.37 0.08 0.00 0.00 0.00 0.00 44.72 46.12 1yaj s GLY 219 CO -0.02 0.43 -0.16 1.85 0.00 0.00 0.00 173.10 175.19 1yaj s GLU 220 N -2.42 2.00 7.99 2.90 -6.30 -1.25 -0.52 118.70 121.10 1yaj s GLU 220 Ca 0.11 -1.04 0.00 0.00 -2.50 0.00 0.00 54.97 51.53 1yaj s GLU 220 Cb 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 34.13 31.94 1yaj s GLU 220 CO -0.04 0.52 0.00 0.45 0.02 0.00 0.00 175.26 176.20 1yaj n SER 221 N 1.17 0.00 -0.31 -1.70 2.88 0.17 -1.43 113.62 114.41 1yaj n SER 221 Ca -0.16 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.48 1yaj n SER 221 Cb 0.52 0.00 0.26 0.00 -0.75 0.00 0.00 64.21 64.24 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 -0.97 1.38 0.20 -1.46 0.00 -1.86 0.17 119.26 116.71 1yaj h ALA 222 Ca 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1yaj h ALA 222 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1yaj h ALA 222 CO 0.00 -0.13 -0.09 0.78 0.00 0.00 0.00 179.25 179.81 1yaj h GLY 223 N 0.61 -0.28 -0.20 0.00 0.00 -1.24 0.36 103.07 102.33 1yaj h GLY 223 Ca 0.50 0.10 0.12 0.00 0.00 0.00 0.00 47.33 48.05 1yaj h GLY 223 CO -0.39 -0.10 -0.15 -1.33 0.00 0.00 0.00 176.54 174.57 1yaj h GLY 224 N -0.40 0.44 0.99 4.60 0.00 -0.63 0.85 103.07 108.92 1yaj h GLY 224 Ca -0.03 0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 1yaj h GLY 224 CO 0.04 -0.23 -0.00 -2.09 0.00 0.00 0.00 176.54 174.26 1yaj h GLU 225 N 0.00 -0.01 -0.70 4.80 4.22 -0.41 0.96 114.58 123.45 1yaj h GLU 225 Ca 0.29 0.00 0.15 0.00 0.08 0.00 0.00 59.36 59.88 1yaj h GLU 225 Cb 0.44 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.57 1yaj h GLU 225 CO -0.62 0.01 -0.05 0.77 -2.18 0.00 0.00 179.01 176.94 1yaj h SER 226 N -0.01 -0.42 0.77 1.04 0.02 0.39 0.46 113.55 115.79 1yaj h SER 226 Ca -0.00 0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 1yaj h SER 226 Cb 0.01 0.35 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 1yaj h SER 226 CO 0.00 -0.18 -0.47 0.58 -1.14 0.00 0.00 176.83 175.62 1yaj h VAL 227 N 0.07 0.06 -0.83 2.27 2.07 0.12 0.57 116.25 120.58 1yaj h VAL 227 Ca 0.37 0.00 0.19 0.00 0.82 0.00 0.00 66.70 68.08 1yaj h VAL 227 Cb 0.62 0.06 -0.15 0.00 -1.52 0.00 0.00 31.29 30.30 1yaj h VAL 227 CO -0.65 0.00 -0.04 -1.28 0.02 0.00 0.00 177.57 175.62 1yaj h SER 228 N -1.16 -0.49 0.33 0.57 0.87 0.11 0.22 113.55 114.00 1yaj h SER 228 Ca -0.10 0.23 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 1yaj h SER 228 Cb 0.93 0.42 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 1yaj h SER 228 CO 0.11 -0.24 -0.16 0.58 -0.53 0.00 0.00 176.83 176.58 1yaj h VAL 229 N 0.06 0.68 -0.25 2.23 2.07 0.50 -2.27 116.25 119.27 1yaj h VAL 229 Ca 0.45 -0.05 0.07 0.00 0.82 0.00 0.00 66.70 68.00 1yaj h VAL 229 Cb 0.81 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1yaj h VAL 229 CO -0.78 0.01 0.26 -0.07 0.02 0.00 0.00 177.57 177.02 1yaj h LEU 230 N -0.47 0.00 -0.97 2.57 3.38 0.23 0.20 115.31 120.25 1yaj h LEU 230 Ca -0.05 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 1yaj h LEU 230 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1yaj h LEU 230 CO 0.07 0.00 -0.46 0.58 0.09 0.00 0.00 178.44 178.73 1yaj h VAL 231 N 0.00 1.33 0.00 1.22 2.07 -0.08 -3.17 116.25 117.62 1yaj h VAL 231 Ca 0.12 -1.61 -0.30 0.00 0.82 0.00 0.00 66.70 65.73 1yaj h VAL 231 Cb 0.65 1.80 -0.05 0.00 -1.52 0.00 0.00 31.29 32.17 1yaj h VAL 231 CO -0.00 0.47 -1.78 0.18 0.02 0.00 0.00 177.57 176.46 1yaj n LEU 232 N -3.99 0.83 -4.77 2.57 4.77 0.53 -4.94 117.00 112.00 1yaj n LEU 232 Ca -0.02 0.37 -0.40 0.00 -0.03 0.00 0.00 56.01 55.93 1yaj n LEU 232 Cb 0.50 0.18 -0.01 0.00 -2.33 0.00 0.00 43.42 41.75 1yaj n LEU 232 CO 0.41 0.41 1.00 -0.55 -1.33 0.00 0.00 177.39 177.33 1yaj s SER 233 N -6.05 6.62 0.00 -1.43 0.15 -0.13 -4.89 113.70 107.97 1yaj s SER 233 Ca -0.05 2.74 0.30 0.00 0.70 0.00 0.00 55.95 59.63 1yaj s SER 233 Cb 0.08 -2.65 1.73 0.00 -1.71 0.00 0.00 66.02 63.47 1yaj s SER 233 CO 0.82 -0.65 2.12 -2.65 1.20 0.00 0.00 173.24 174.08 1yaj n PRO 234 N 0.61 0.80 0.01 5.44 -0.02 -1.26 -3.07 135.00 137.51 1yaj n PRO 234 Ca 0.01 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.42 1yaj n PRO 234 Cb 0.42 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.27 1yaj n PRO 234 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1yaj h LEU 235 N 0.00 0.00 -0.13 2.45 3.38 -1.86 -3.31 115.31 115.84 1yaj h LEU 235 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1yaj h LEU 235 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1yaj h LEU 235 CO 0.00 0.93 -0.04 0.00 0.09 0.00 0.00 178.44 179.42 1yaj n ALA 236 N -2.48 2.64 -1.60 1.53 0.00 -1.18 -4.90 120.51 114.53 1yaj n ALA 236 Ca -0.12 -0.22 -0.56 0.00 0.00 0.00 0.00 53.44 52.55 1yaj n ALA 236 Cb 0.99 -1.42 -0.08 0.00 0.00 0.00 0.00 19.45 18.94 1yaj n ALA 236 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1yaj n LYS 237 N -1.04 1.04 -1.09 0.00 4.81 -1.25 -0.91 118.16 119.73 1yaj n LYS 237 Ca 0.17 0.35 -0.03 0.00 -0.87 0.00 0.00 58.31 57.93 1yaj n LYS 237 Cb 0.23 -2.15 -0.01 0.00 0.02 0.00 0.00 35.03 33.12 1yaj n LYS 237 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1yaj n ASN 238 N 6.79 -3.57 0.01 3.14 3.02 -1.26 -4.88 115.26 118.50 1yaj n ASN 238 Ca 0.33 0.07 0.11 0.00 -0.03 0.00 0.00 54.58 55.06 1yaj n ASN 238 Cb 0.14 -1.33 -0.13 0.00 -0.61 0.00 0.00 39.78 37.85 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 -0.34 0.24 -4.16 3.41 4.77 -0.09 -4.98 117.00 115.86 1yaj n LEU 239 Ca -0.03 0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 1yaj n LEU 239 Cb 0.13 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.13 1yaj n LEU 239 CO 0.05 -0.02 -0.09 0.72 -1.33 0.00 0.00 177.39 176.71 1yaj s PHE 240 N -3.44 1.07 0.00 -1.77 -0.71 -1.26 -4.85 117.98 107.02 1yaj s PHE 240 Ca -0.05 -1.27 0.00 0.00 -1.04 0.00 0.00 56.93 54.57 1yaj s PHE 240 Cb 0.13 -0.37 0.00 0.00 -1.21 0.00 0.00 43.02 41.57 1yaj s PHE 240 CO 0.88 -0.80 0.07 0.72 -1.34 0.00 0.00 175.22 174.75 1yaj n HIS 241 N -0.37 0.00 -3.63 3.49 8.25 0.13 -4.94 115.22 118.15 1yaj n HIS 241 Ca 0.02 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.33 1yaj n HIS 241 Cb 0.64 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.68 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 -0.05 0.83 0.01 -0.41 0.52 -1.19 -4.22 118.95 114.45 1yaj s ARG 242 Ca 0.00 0.50 0.02 0.00 -0.52 0.00 0.00 55.73 55.73 1yaj s ARG 242 Cb 0.00 0.40 -0.01 0.00 0.52 0.00 0.00 34.95 35.85 1yaj s ARG 242 CO 0.00 -0.19 -0.07 0.00 0.02 0.00 0.00 175.30 175.07 1yaj s ALA 243 N -0.44 0.55 -0.06 2.13 0.00 -0.75 -1.54 121.76 121.65 1yaj s ALA 243 Ca -0.06 -0.45 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 1yaj s ALA 243 Cb -0.03 -0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.05 1yaj s ALA 243 CO 0.05 0.08 -0.01 0.42 0.00 0.00 0.00 175.76 176.30 1yaj s ILE 244 N -0.58 0.39 -0.20 0.00 1.01 -0.00 -0.80 121.20 121.02 1yaj s ILE 244 Ca -0.02 0.08 -0.03 0.00 0.00 0.00 0.00 60.65 60.68 1yaj s ILE 244 Cb -0.05 -0.51 -0.01 0.00 0.01 0.00 0.00 42.46 41.90 1yaj s ILE 244 CO 0.00 0.24 -0.07 -0.44 0.00 0.00 0.00 174.94 174.67 1yaj s SER 245 N 1.70 4.15 -0.28 3.58 0.01 -0.28 -1.72 113.70 120.87 1yaj s SER 245 Ca 0.01 -0.39 -0.04 0.00 1.31 0.00 0.00 55.95 56.84 1yaj s SER 245 Cb -0.13 -1.69 0.02 0.00 0.21 0.00 0.00 66.02 64.43 1yaj s SER 245 CO -0.04 0.03 0.01 -1.61 0.41 0.00 0.00 173.24 172.04 1yaj s GLU 246 N 1.18 2.93 -0.87 12.44 2.02 0.33 -2.17 118.70 134.56 1yaj s GLU 246 Ca 0.02 -0.94 -0.03 0.00 0.02 0.00 0.00 54.97 54.03 1yaj s GLU 246 Cb -0.14 -3.20 -0.02 0.00 0.10 0.00 0.00 34.13 30.87 1yaj s GLU 246 CO -0.02 -0.44 0.77 0.43 0.02 0.00 0.00 175.26 176.02 1yaj n SER 247 N 4.76 -7.09 0.00 -0.19 7.64 -0.75 -0.65 113.62 117.34 1yaj n SER 247 Ca -0.15 -0.40 0.00 0.00 1.01 0.00 0.00 58.87 59.33 1yaj n SER 247 Cb 0.47 -4.92 0.00 0.00 -1.01 0.00 0.00 64.21 58.76 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 -1.59 4.05 1.58 0.23 0.00 -1.26 -2.34 105.19 105.85 1yaj n GLY 248 Ca -0.05 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 45.03 1yaj n GLY 248 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1yaj n VAL 249 N 0.00 0.00 0.30 1.61 0.24 -1.26 -2.43 118.33 116.79 1yaj n VAL 249 Ca 0.00 -1.11 0.14 0.00 -2.04 0.00 0.00 64.34 61.34 1yaj n VAL 249 Cb 0.00 0.37 0.46 0.00 -1.47 0.00 0.00 33.84 33.20 1yaj n VAL 249 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1yaj h ALA 250 N 1.29 1.00 -0.00 2.33 0.00 -1.85 -2.70 119.26 119.32 1yaj h ALA 250 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1yaj h ALA 250 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1yaj h ALA 250 CO 0.25 0.00 -0.02 1.28 0.00 0.00 0.00 179.25 180.75 1yaj n LEU 251 N -2.93 0.19 -4.17 0.00 4.77 -1.26 -4.52 117.00 109.08 1yaj n LEU 251 Ca 0.02 0.07 -0.38 0.00 -0.03 0.00 0.00 56.01 55.69 1yaj n LEU 251 Cb 0.39 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.31 1yaj n LEU 251 CO 0.29 0.03 1.98 0.41 -1.33 0.00 0.00 177.39 178.78 1yaj n THR 252 N -1.02 2.62 -0.20 -5.08 -1.04 -1.02 -4.86 114.28 103.68 1yaj n THR 252 Ca 0.18 -2.54 0.02 0.00 -2.04 0.00 0.00 64.05 59.68 1yaj n THR 252 Cb 0.20 -2.33 0.06 0.00 -1.82 0.00 0.00 70.33 66.45 1yaj n THR 252 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1yaj n SER 253 N 9.71 -0.23 0.11 8.00 7.64 -1.26 -1.44 113.62 136.14 1yaj n SER 253 Ca 0.48 0.94 0.02 0.00 1.01 0.00 0.00 58.87 61.33 1yaj n SER 253 Cb 0.43 -0.27 0.11 0.00 -1.01 0.00 0.00 64.21 63.47 1yaj n SER 253 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1yaj n VAL 254 N -4.87 0.35 0.08 0.44 3.14 -1.26 0.57 118.33 116.79 1yaj n VAL 254 Ca 0.08 0.66 0.02 0.00 -2.96 0.00 0.00 64.34 62.15 1yaj n VAL 254 Cb 0.26 -1.66 0.04 0.00 -1.06 0.00 0.00 33.84 31.41 1yaj n VAL 254 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1yaj n LEU 255 N -1.63 1.78 -3.87 6.55 4.77 -0.52 -4.83 117.00 119.25 1yaj n LEU 255 Ca -0.00 -1.40 -0.30 0.00 -0.03 0.00 0.00 56.01 54.28 1yaj n LEU 255 Cb 0.50 -0.04 -0.15 0.00 -2.33 0.00 0.00 43.42 41.39 1yaj n LEU 255 CO 0.02 0.42 -0.38 -0.69 -1.33 0.00 0.00 177.39 175.43 1yaj s VAL 256 N -0.63 1.32 0.27 4.08 1.01 0.19 -1.13 120.40 125.52 1yaj s VAL 256 Ca 0.07 -1.34 -0.29 0.00 0.00 0.00 0.00 61.98 60.42 1yaj s VAL 256 Cb 0.04 -1.78 -0.09 0.00 0.00 0.00 0.00 36.38 34.54 1yaj s VAL 256 CO 0.06 -0.34 1.07 -0.54 0.00 0.00 0.00 175.10 175.35 1yaj s LYS 257 N 1.45 4.68 0.07 2.72 -0.14 -0.40 -4.87 119.74 123.25 1yaj s LYS 257 Ca 0.01 1.73 0.03 0.00 -1.36 0.00 0.00 55.97 56.39 1yaj s LYS 257 Cb -0.18 -3.19 -0.03 0.00 -1.68 0.00 0.00 37.83 32.74 1yaj s LYS 257 CO -0.12 0.27 -0.09 0.15 -0.76 0.00 0.00 175.35 174.80 1yaj s LYS 258 N -1.41 0.71 0.59 1.68 1.02 -1.26 -4.45 119.74 116.61 1yaj s LYS 258 Ca 0.44 -1.00 0.00 0.00 0.02 0.00 0.00 55.97 55.43 1yaj s LYS 258 Cb -0.31 -0.39 0.00 0.00 -0.52 0.00 0.00 37.83 36.61 1yaj s LYS 258 CO 0.39 0.06 0.00 0.41 -0.92 0.00 0.00 175.35 175.29 1yaj n GLY 259 N 0.89 -1.89 3.58 -3.33 0.00 -1.26 -4.82 105.19 98.37 1yaj n GLY 259 Ca -0.19 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 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 5.61 0.04 1.61 2.15 -1.26 -4.82 116.67 116.00 1yaj s ASP 260 Ca 0.00 1.06 0.27 0.00 0.43 0.00 0.00 52.55 54.31 1yaj s ASP 260 Cb 0.00 -2.52 0.89 0.00 -0.30 0.00 0.00 42.92 40.98 1yaj s ASP 260 CO 0.00 -1.97 1.70 1.33 -0.17 0.00 0.00 175.17 176.06 1yaj n VAL 261 N 7.42 0.12 -0.23 1.11 0.24 -1.26 -4.13 118.33 121.59 1yaj n VAL 261 Ca 0.23 -0.07 0.04 0.00 -2.04 0.00 0.00 64.34 62.50 1yaj n VAL 261 Cb 0.49 -0.27 0.14 0.00 -1.47 0.00 0.00 33.84 32.73 1yaj n VAL 261 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1yaj h LYS 262 N 0.00 0.16 -0.94 7.34 1.63 -1.83 -0.56 116.57 122.36 1yaj h LYS 262 Ca 0.00 -0.01 0.20 0.00 -0.85 0.00 0.00 60.65 59.99 1yaj h LYS 262 Cb 0.56 -0.04 -0.08 0.00 -0.60 0.00 0.00 32.23 32.07 1yaj h LYS 262 CO 0.00 0.10 0.61 -1.35 -3.45 0.00 0.00 179.45 175.36 1yaj h PRO 263 N 0.16 0.51 0.00 1.90 0.11 -1.93 0.25 132.00 133.00 1yaj h PRO 263 Ca 0.38 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.37 1yaj h PRO 263 Cb 0.65 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 31.65 1yaj h PRO 263 CO -0.56 0.34 -0.35 1.25 -0.21 0.00 0.00 178.00 178.46 1yaj h LEU 264 N 0.53 0.30 -0.29 2.35 6.46 -1.44 -2.23 115.31 120.99 1yaj h LEU 264 Ca 0.51 -0.78 0.07 0.00 -0.12 0.00 0.00 57.88 57.55 1yaj h LEU 264 Cb 1.09 -0.09 -0.08 0.00 -0.73 0.00 0.00 40.66 40.85 1yaj h LEU 264 CO -0.24 1.05 -0.28 0.00 -0.62 0.00 0.00 178.44 178.34 1yaj h ALA 265 N 0.26 -0.17 -0.64 1.25 0.00 -0.03 -1.01 119.26 118.92 1yaj h ALA 265 Ca -0.04 0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1yaj h ALA 265 Cb 1.10 0.59 -0.04 0.00 0.00 0.00 0.00 17.79 19.45 1yaj h ALA 265 CO 0.07 -0.70 0.42 0.93 0.00 0.00 0.00 179.25 179.97 1yaj h GLU 266 N -0.27 0.72 -0.12 0.00 5.08 -0.64 -1.19 114.58 118.16 1yaj h GLU 266 Ca 0.15 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1yaj h GLU 266 Cb 0.50 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1yaj h GLU 266 CO -0.44 0.47 -0.11 0.37 -1.00 0.00 0.00 179.01 178.30 1yaj h GLN 267 N 0.74 0.19 0.06 2.33 4.15 -0.55 -0.55 115.11 121.47 1yaj h GLN 267 Ca 0.26 -0.04 -0.11 0.00 0.77 0.00 0.00 58.65 59.53 1yaj h GLN 267 Cb 0.11 -0.03 0.01 0.00 0.21 0.00 0.00 27.48 27.78 1yaj h GLN 267 CO -0.07 0.31 -0.46 0.82 -1.93 0.00 0.00 178.83 177.49 1yaj h ILE 268 N 0.18 1.59 0.00 2.39 2.04 -0.71 -2.92 117.51 120.08 1yaj h ILE 268 Ca 0.04 -2.32 0.00 0.00 1.00 0.00 0.00 64.86 63.57 1yaj h ILE 268 Cb 0.31 3.11 0.00 0.00 -0.74 0.00 0.00 36.82 39.50 1yaj h ILE 268 CO 0.02 0.64 0.00 0.00 0.00 0.00 0.00 178.15 178.81 1yaj h ALA 269 N 0.12 1.00 0.00 1.87 0.00 -1.04 -1.27 119.26 119.94 1yaj h ALA 269 Ca -0.07 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1yaj h ALA 269 Cb 1.31 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1yaj h ALA 269 CO 0.09 0.00 -0.29 0.82 0.00 0.00 0.00 179.25 179.87 1yaj h ILE 270 N 0.00 0.77 0.00 0.00 2.04 -1.03 -1.60 117.51 117.69 1yaj h ILE 270 Ca 0.00 -1.66 0.00 0.00 1.00 0.00 0.00 64.86 64.20 1yaj h ILE 270 Cb 0.01 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1yaj h ILE 270 CO 0.00 0.26 0.00 0.35 0.00 0.00 0.00 178.15 178.76 1yaj n THR 271 N -4.64 0.00 0.19 -0.27 -2.24 -1.05 -2.07 114.28 104.20 1yaj n THR 271 Ca -0.10 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.79 1yaj n THR 271 Cb 0.32 -0.57 -0.10 0.00 -2.10 0.00 0.00 70.33 67.88 1yaj n THR 271 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yaj n ALA 272 N -0.87 3.00 -0.46 6.98 0.00 -0.50 -4.90 120.51 123.75 1yaj n ALA 272 Ca 0.11 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1yaj n ALA 272 Cb 0.05 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 1.28 1.12 3.53 0.00 0.00 -0.88 -5.05 105.19 105.19 1yaj n GLY 273 Ca -0.02 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.82 2.47 -0.04 0.00 3.01 -1.26 -4.52 119.74 115.58 1yaj s LYS 275 Ca 0.29 -1.62 0.06 0.00 -1.01 0.00 0.00 55.97 53.69 1yaj s LYS 275 Cb 0.06 -2.44 0.10 0.00 -1.01 0.00 0.00 37.83 34.54 1yaj s LYS 275 CO 0.14 -0.46 0.97 0.25 0.51 0.00 0.00 175.35 176.76 1yaj n THR 276 N -1.81 0.78 -0.38 2.17 -2.24 -1.26 -4.44 114.28 107.10 1yaj n THR 276 Ca 0.06 -0.91 -0.02 0.00 -2.27 0.00 0.00 64.05 60.92 1yaj n THR 276 Cb 0.62 0.33 0.03 0.00 -2.10 0.00 0.00 70.33 69.21 1yaj n THR 276 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1yaj n THR 277 N -0.55 -0.53 -3.79 4.28 -1.04 -1.26 -4.47 114.28 106.92 1yaj n THR 277 Ca 0.05 2.30 -0.13 0.00 -2.04 0.00 0.00 64.05 64.24 1yaj n THR 277 Cb 0.58 -3.03 -0.12 0.00 -1.82 0.00 0.00 70.33 65.94 1yaj n THR 277 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1yaj s THR 278 N -5.90 -0.00 0.33 12.58 -4.23 -1.26 -5.03 115.64 112.13 1yaj s THR 278 Ca -0.13 0.01 0.10 0.00 -1.18 0.00 0.00 61.69 60.49 1yaj s THR 278 Cb 0.19 -0.33 0.38 0.00 1.34 0.00 0.00 72.50 74.09 1yaj s THR 278 CO 0.70 0.01 1.55 -1.54 -0.54 0.00 0.00 174.62 174.79 1yaj n SER 279 N 3.07 0.09 -0.17 3.99 3.41 -1.26 0.82 113.62 123.57 1yaj n SER 279 Ca -0.14 1.65 -0.03 0.00 -0.26 0.00 0.00 58.87 60.10 1yaj n SER 279 Cb 0.58 -0.69 0.07 0.00 -0.26 0.00 0.00 64.21 63.90 1yaj n SER 279 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yaj h ALA 280 N 1.97 0.67 -0.50 7.33 0.00 -1.95 -1.41 119.26 125.36 1yaj h ALA 280 Ca 0.70 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.54 1yaj h ALA 280 Cb 1.67 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1yaj h ALA 280 CO -0.85 -0.16 -0.19 0.28 0.00 0.00 0.00 179.25 178.33 1yaj h VAL 281 N 0.42 1.27 0.15 0.00 2.07 0.02 -2.52 116.25 117.66 1yaj h VAL 281 Ca 0.25 -1.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 1yaj h VAL 281 Cb 0.24 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1yaj h VAL 281 CO -0.23 0.47 -0.23 0.24 0.02 0.00 0.00 177.57 177.84 1yaj h MET 282 N 0.86 -0.39 -0.93 1.57 0.00 -0.54 -0.13 114.93 115.36 1yaj h MET 282 Ca 0.12 0.03 0.27 0.00 0.00 0.00 0.00 59.70 60.11 1yaj h MET 282 Cb 0.76 0.09 -0.16 0.00 0.00 0.00 0.00 31.60 32.29 1yaj h MET 282 CO 0.06 -0.26 0.17 0.28 0.00 0.00 0.00 176.91 177.16 1yaj h VAL 283 N -0.41 0.16 -0.49 -2.22 2.07 -1.32 0.27 116.25 114.31 1yaj h VAL 283 Ca -0.02 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.50 1yaj h VAL 283 Cb 0.37 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 1yaj h VAL 283 CO -0.07 0.02 0.28 -0.74 0.02 0.00 0.00 177.57 177.07 1yaj h HIS 284 N 0.10 0.52 -0.25 1.57 -0.00 -0.87 -0.15 115.15 116.05 1yaj h HIS 284 Ca 0.60 0.02 -0.19 0.00 -0.00 0.00 0.00 60.37 60.80 1yaj h HIS 284 Cb 1.28 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 28.53 1yaj h HIS 284 CO -0.34 0.29 -0.59 0.00 -0.00 0.00 0.00 177.93 177.29 1yaj h LEU 286 N 0.62 0.14 -1.37 0.00 3.38 -0.79 0.53 115.31 117.82 1yaj h LEU 286 Ca 0.00 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1yaj h LEU 286 Cb 1.20 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 1yaj h LEU 286 CO 0.13 0.31 0.06 0.03 0.09 0.00 0.00 178.44 179.06 1yaj h ARG 287 N 0.15 0.48 0.00 1.13 3.08 -0.75 -2.08 114.38 116.39 1yaj h ARG 287 Ca 0.03 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 1yaj h ARG 287 Cb 0.35 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1yaj h ARG 287 CO 0.02 0.46 -0.43 1.96 -1.07 0.00 0.00 179.97 180.92 1yaj h GLN 288 N 0.47 0.00 -7.21 0.04 1.08 -0.65 -3.46 115.11 105.39 1yaj h GLN 288 Ca 0.11 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.78 1yaj h GLN 288 Cb 0.22 0.00 0.16 0.00 -0.05 0.00 0.00 27.48 27.80 1yaj h GLN 288 CO -0.00 0.43 0.35 0.15 -0.95 0.00 0.00 178.83 178.81 1yaj s LYS 289 N -3.27 2.01 0.47 1.46 -0.14 -0.70 -5.01 119.74 114.55 1yaj s LYS 289 Ca 0.02 1.63 0.02 0.00 -1.36 0.00 0.00 55.97 56.28 1yaj s LYS 289 Cb 0.09 -1.83 0.01 0.00 -1.68 0.00 0.00 37.83 34.42 1yaj s LYS 289 CO 0.71 -1.91 0.67 0.95 -0.76 0.00 0.00 175.35 175.02 1yaj s THR 290 N -2.23 3.44 0.16 2.17 -4.23 -1.26 -4.87 115.64 108.82 1yaj s THR 290 Ca 0.71 -0.67 -0.16 0.00 -1.18 0.00 0.00 61.69 60.40 1yaj s THR 290 Cb -0.26 -3.25 0.04 0.00 1.34 0.00 0.00 72.50 70.37 1yaj s THR 290 CO 0.48 -0.16 1.74 -0.08 -0.54 0.00 0.00 174.62 176.06 1yaj h GLU 291 N 0.37 0.23 -0.22 3.99 4.81 -1.98 0.69 114.58 122.46 1yaj h GLU 291 Ca -0.44 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 58.81 1yaj h GLU 291 Cb 1.27 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.57 1yaj h GLU 291 CO 0.54 0.15 0.03 0.93 -0.73 0.00 0.00 179.01 179.92 1yaj h GLU 292 N 0.24 0.10 -0.90 1.92 5.08 -1.98 0.22 114.58 119.26 1yaj h GLU 292 Ca 0.18 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1yaj h GLU 292 Cb 0.19 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 1yaj h GLU 292 CO -0.22 0.07 0.50 0.93 -1.00 0.00 0.00 179.01 179.29 1yaj h GLU 293 N 0.11 1.25 0.00 2.33 5.08 -1.64 0.17 114.58 121.88 1yaj h GLU 293 Ca 0.10 -0.14 -0.14 0.00 -1.00 0.00 0.00 59.36 58.18 1yaj h GLU 293 Cb 0.11 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1yaj h GLU 293 CO -0.15 0.91 -0.65 -0.07 -1.00 0.00 0.00 179.01 178.05 1yaj h LEU 294 N 1.26 0.00 0.04 1.33 3.38 0.86 -3.00 115.31 119.19 1yaj h LEU 294 Ca 0.32 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 58.01 1yaj h LEU 294 Cb 0.02 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.79 1yaj h LEU 294 CO -0.05 0.65 -1.14 0.25 0.09 0.00 0.00 178.44 178.24 1yaj h LEU 295 N 0.00 0.85 -1.97 1.67 5.85 -0.12 -1.70 115.31 119.90 1yaj h LEU 295 Ca -0.01 -0.74 -0.01 0.00 0.84 0.00 0.00 57.88 57.96 1yaj h LEU 295 Cb 1.24 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 42.00 1yaj h LEU 295 CO 0.08 1.54 -0.05 -0.33 -0.34 0.00 0.00 178.44 179.34 1yaj h GLU 296 N 0.32 0.00 0.01 1.25 5.08 -0.69 -1.80 114.58 118.74 1yaj h GLU 296 Ca -0.15 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1yaj h GLU 296 Cb 1.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.05 1yaj h GLU 296 CO 0.22 0.05 -0.00 1.15 -1.00 0.00 0.00 179.01 179.43 1yaj h THR 297 N 0.00 1.53 -0.57 1.13 2.02 -1.38 -2.10 112.91 113.54 1yaj h THR 297 Ca -0.00 -1.63 0.17 0.00 0.77 0.00 0.00 66.41 65.71 1yaj h THR 297 Cb 0.10 2.63 -0.02 0.00 -1.74 0.00 0.00 68.15 69.11 1yaj h THR 297 CO 0.01 0.42 0.62 0.74 0.37 0.00 0.00 175.52 177.67 1yaj h THR 298 N -0.71 0.30 0.01 3.16 2.02 -0.59 0.70 112.91 117.79 1yaj h THR 298 Ca -0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 1yaj h THR 298 Cb 0.70 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1yaj h THR 298 CO 0.00 0.00 -0.19 -0.07 0.37 0.00 0.00 175.52 175.63 1yaj h LEU 299 N 0.00 0.04 -0.10 2.58 3.38 -1.20 -3.29 115.31 116.72 1yaj h LEU 299 Ca 0.27 -0.95 0.00 0.00 0.09 0.00 0.00 57.88 57.29 1yaj h LEU 299 Cb 1.50 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.24 1yaj h LEU 299 CO -0.00 1.08 0.00 0.29 0.09 0.00 0.00 178.44 179.90 1yaj n LYS 300 N -4.55 0.02 0.02 1.13 5.02 0.06 -1.81 118.16 118.05 1yaj n LYS 300 Ca -0.13 0.35 0.14 0.00 -2.02 0.00 0.00 58.31 56.65 1yaj n LYS 300 Cb 0.53 -1.54 0.53 0.00 -0.02 0.00 0.00 35.03 34.52 1yaj n LYS 300 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1yaj n MET 301 N -1.58 0.05 -4.10 1.97 2.81 -0.17 -4.95 117.12 111.15 1yaj n MET 301 Ca 0.02 0.04 -0.32 0.00 -1.81 0.00 0.00 57.70 55.63 1yaj n MET 301 Cb 0.12 -1.56 -0.04 0.00 -0.71 0.00 0.00 33.22 31.03 1yaj n MET 301 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1yaj n LYS 302 N -1.65 -1.56 0.19 0.03 5.02 -0.75 -4.91 118.16 114.54 1yaj n LYS 302 Ca 0.06 0.22 0.14 0.00 -2.02 0.00 0.00 58.31 56.71 1yaj n LYS 302 Cb 0.36 -3.72 0.63 0.00 -0.02 0.00 0.00 35.03 32.27 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 -1.98 0.00 0.00 2.13 0.05 -1.83 -3.32 116.94 112.00 1yaj h PHE 303 Ca -0.66 0.00 -0.09 0.00 3.82 0.00 0.00 57.97 61.04 1yaj h PHE 303 Cb 1.39 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 39.32 1yaj h PHE 303 CO 0.46 0.00 -1.48 1.47 -0.18 0.00 0.00 178.31 178.58 1yaj n LEU 304 N -2.51 0.00 -4.68 1.54 -0.00 -1.26 -4.29 117.00 105.80 1yaj n LEU 304 Ca 0.01 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.72 1yaj n LEU 304 Cb 0.19 0.12 0.16 0.00 -0.00 0.00 0.00 43.42 43.89 1yaj n LEU 304 CO 0.19 0.12 0.65 -0.44 -0.00 0.00 0.00 177.39 177.91 1yaj s SER 305 N -3.61 2.97 -0.54 1.45 0.01 -1.25 -4.69 113.70 108.04 1yaj s SER 305 Ca -0.04 1.43 -0.10 0.00 1.31 0.00 0.00 55.95 58.55 1yaj s SER 305 Cb 0.03 -2.10 0.14 0.00 0.21 0.00 0.00 66.02 64.30 1yaj s SER 305 CO 0.33 -2.95 0.43 -0.22 0.41 0.00 0.00 173.24 171.24 1yaj s LEU 306 N -6.40 5.87 -0.13 2.44 2.96 -1.26 -4.90 118.68 117.26 1yaj s LEU 306 Ca 0.65 -2.05 -0.32 0.00 -0.22 0.00 0.00 54.13 52.18 1yaj s LEU 306 Cb -0.19 -2.06 -0.10 0.00 0.50 0.00 0.00 46.19 44.35 1yaj s LEU 306 CO 0.58 -0.69 2.02 -0.67 -1.32 0.00 0.00 176.35 176.28 1yaj n ASP 307 N 4.76 3.35 0.28 3.68 4.64 -1.26 -4.90 116.55 127.09 1yaj n ASP 307 Ca -0.05 0.70 -0.11 0.00 -1.38 0.00 0.00 54.79 53.94 1yaj n ASP 307 Cb 0.41 -1.43 -0.05 0.00 -1.04 0.00 0.00 41.12 39.01 1yaj n ASP 307 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 1yaj h LEU 308 N 11.27 -0.63 0.00 -2.67 3.38 -1.96 -3.46 115.31 121.23 1yaj h LEU 308 Ca -0.44 0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.35 1yaj h LEU 308 Cb 1.27 0.16 0.11 0.00 0.09 0.00 0.00 40.66 42.29 1yaj h LEU 308 CO 0.96 -0.25 -0.01 0.00 0.09 0.00 0.00 178.44 179.23 1yaj n GLN 309 N -5.14 -2.77 -1.06 1.13 1.13 -1.26 -4.93 117.38 104.47 1yaj n GLN 309 Ca -0.09 -0.87 0.13 0.00 -1.94 0.00 0.00 57.00 54.23 1yaj n GLN 309 Cb 0.30 -0.94 -0.06 0.00 0.11 0.00 0.00 30.24 29.64 1yaj n GLN 309 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1yaj n GLY 310 N -2.16 -2.94 3.73 1.08 0.00 -1.26 -4.76 105.19 98.88 1yaj n GLY 310 Ca 0.08 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 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 -6.49 6.94 0.41 1.61 -1.08 -1.26 -4.90 116.67 111.90 1yaj s ASP 311 Ca 0.00 2.29 0.16 0.00 -0.52 0.00 0.00 52.55 54.47 1yaj s ASP 311 Cb 0.00 -2.60 1.03 0.00 -1.46 0.00 0.00 42.92 39.89 1yaj s ASP 311 CO 0.00 -0.52 1.88 -0.65 0.52 0.00 0.00 175.17 176.40 1yaj h PRO 312 N 5.95 0.44 0.00 4.34 0.11 -1.90 -0.34 132.00 140.61 1yaj h PRO 312 Ca -0.43 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1yaj h PRO 312 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1yaj h PRO 312 CO 0.80 0.29 0.00 0.54 -0.21 0.00 0.00 178.00 179.42 1yaj n ARG 313 N -4.51 0.06 -0.10 1.05 1.74 -1.26 -3.09 116.66 110.55 1yaj n ARG 313 Ca 0.17 0.31 -0.16 0.00 -0.77 0.00 0.00 57.85 57.41 1yaj n ARG 313 Cb 0.61 -1.61 -0.13 0.00 -1.02 0.00 0.00 32.46 30.30 1yaj n ARG 313 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1yaj n GLU 314 N -1.72 0.67 -1.30 5.56 1.02 -0.15 -4.98 120.64 119.73 1yaj n GLU 314 Ca 0.03 0.14 -0.51 0.00 -0.02 0.00 0.00 57.16 56.80 1yaj n GLU 314 Cb 0.18 -1.56 -0.07 0.00 -0.02 0.00 0.00 31.44 29.96 1yaj n GLU 314 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1yaj n SER 315 N -3.15 0.75 -4.37 1.62 7.64 -1.11 -4.85 113.62 110.14 1yaj n SER 315 Ca -0.39 0.91 -0.45 0.00 1.01 0.00 0.00 58.87 59.95 1yaj n SER 315 Cb 1.04 -0.68 -0.05 0.00 -1.01 0.00 0.00 64.21 63.52 1yaj n SER 315 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1yaj s GLN 316 N 1.87 3.04 0.09 1.43 1.11 -1.26 -4.80 119.66 121.14 1yaj s GLN 316 Ca 0.78 -1.33 -0.15 0.00 0.01 0.00 0.00 55.36 54.68 1yaj s GLN 316 Cb -1.12 -4.25 -0.13 0.00 -1.01 0.00 0.00 33.01 26.51 1yaj s GLN 316 CO 0.59 -1.45 1.34 -1.00 0.01 0.00 0.00 175.29 174.78 1yaj h PRO 317 N 9.11 0.71 0.00 2.91 0.13 -1.87 -3.43 132.00 139.56 1yaj h PRO 317 Ca -0.29 -0.48 0.23 0.00 -0.87 0.00 0.00 66.00 64.59 1yaj h PRO 317 Cb 1.09 0.07 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 1yaj h PRO 317 CO 1.07 1.10 0.65 1.47 -0.23 0.00 0.00 178.00 182.06 1yaj n LEU 318 N -4.14 0.00 -2.33 1.56 -0.00 -1.26 -4.29 117.00 106.54 1yaj n LEU 318 Ca -0.06 -0.52 -0.32 0.00 -0.00 0.00 0.00 56.01 55.10 1yaj n LEU 318 Cb 0.59 1.64 0.06 0.00 -0.00 0.00 0.00 43.42 45.71 1yaj n LEU 318 CO 0.48 -0.17 1.07 0.18 -0.00 0.00 0.00 177.39 178.95 1yaj n LEU 319 N 0.00 6.82 0.00 1.47 4.77 -1.26 -5.02 117.00 123.78 1yaj n LEU 319 Ca 0.02 -4.53 -0.04 0.00 -0.03 0.00 0.00 56.01 51.43 1yaj n LEU 319 Cb 0.45 -0.80 0.04 0.00 -2.33 0.00 0.00 43.42 40.79 1yaj n LEU 319 CO 0.13 1.71 0.05 0.61 -1.33 0.00 0.00 177.39 178.56 1yaj n GLY 320 N -0.80 -0.83 3.43 -0.72 0.00 -1.26 -4.67 105.19 100.34 1yaj n GLY 320 Ca 0.56 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.97 1yaj n GLY 320 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1yaj n THR 321 N -3.15 0.49 -4.17 2.61 -1.04 -0.29 -4.55 114.28 104.19 1yaj n THR 321 Ca 0.02 -0.25 -0.11 0.00 -2.04 0.00 0.00 64.05 61.67 1yaj n THR 321 Cb 0.09 -0.65 -0.04 0.00 -1.82 0.00 0.00 70.33 67.90 1yaj n THR 321 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1yaj n VAL 322 N -3.27 0.00 -3.14 12.58 0.24 -1.26 -1.27 118.33 122.21 1yaj n VAL 322 Ca 0.07 -1.35 -0.38 0.00 -2.04 0.00 0.00 64.34 60.64 1yaj n VAL 322 Cb 0.53 0.66 -0.02 0.00 -1.47 0.00 0.00 33.84 33.54 1yaj n VAL 322 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1yaj n ILE 323 N -0.36 4.38 0.32 1.34 2.08 -1.26 -4.76 119.36 121.09 1yaj n ILE 323 Ca 0.04 -5.71 0.19 0.00 0.56 0.00 0.00 62.75 57.83 1yaj n ILE 323 Cb 0.34 -2.09 1.05 0.00 -0.75 0.00 0.00 39.64 38.19 1yaj n ILE 323 CO 0.00 0.00 0.00 -2.24 0.56 0.00 0.00 176.55 174.87 1yaj h ASP 324 N 5.04 0.00 0.00 4.38 -0.00 -1.78 -3.46 116.42 120.61 1yaj h ASP 324 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.23 1yaj h ASP 324 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.96 1yaj h ASP 324 CO 1.17 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 181.03 1yaj n GLY 325 N -1.17 0.75 0.85 7.15 0.00 -0.76 -4.89 105.19 107.10 1yaj n GLY 325 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 1yaj n GLY 325 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1yaj n MET 326 N -2.19 0.03 0.09 1.61 2.81 -1.26 -4.74 117.12 113.48 1yaj n MET 326 Ca 0.00 0.01 -0.08 0.00 -1.81 0.00 0.00 57.70 55.83 1yaj n MET 326 Cb 0.00 -0.29 -0.00 0.00 -0.71 0.00 0.00 33.22 32.21 1yaj n MET 326 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1yaj h LEU 327 N -0.06 0.19 -7.53 4.03 6.46 -1.95 -3.42 115.31 113.02 1yaj h LEU 327 Ca 0.00 -0.16 -0.49 0.00 -0.12 0.00 0.00 57.88 57.11 1yaj h LEU 327 Cb 0.06 -0.06 -0.38 0.00 -0.73 0.00 0.00 40.66 39.55 1yaj h LEU 327 CO 0.00 0.97 -0.78 -0.76 -0.62 0.00 0.00 178.44 177.25 1yaj s LEU 328 N -7.35 0.98 0.00 2.25 1.43 -1.26 -4.15 118.68 110.58 1yaj s LEU 328 Ca -0.02 -0.33 0.28 0.00 -1.03 0.00 0.00 54.13 53.03 1yaj s LEU 328 Cb 0.10 -0.64 1.33 0.00 0.03 0.00 0.00 46.19 47.02 1yaj s LEU 328 CO 0.82 -0.19 1.95 0.18 0.23 0.00 0.00 176.35 179.34 1yaj n LEU 329 N 5.04 0.00 -3.69 1.79 4.77 -1.26 -1.83 117.00 121.82 1yaj n LEU 329 Ca -0.09 0.38 0.03 0.00 -0.03 0.00 0.00 56.01 56.30 1yaj n LEU 329 Cb 0.49 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1yaj n LEU 329 CO 0.13 -0.02 1.17 -1.59 -1.33 0.00 0.00 177.39 175.76 1yaj s LYS 330 N -2.76 0.14 0.57 3.23 -2.85 -1.26 -4.88 119.74 111.93 1yaj s LYS 330 Ca 0.21 -0.08 -0.19 0.00 -1.00 0.00 0.00 55.97 54.90 1yaj s LYS 330 Cb 0.19 0.04 -0.06 0.00 -2.06 0.00 0.00 37.83 35.94 1yaj s LYS 330 CO 0.47 -0.06 0.98 0.25 0.10 0.00 0.00 175.35 177.09 1yaj n THR 331 N -0.62 3.46 -0.23 3.79 -2.24 -1.26 -4.77 114.28 112.42 1yaj n THR 331 Ca -0.05 -0.50 0.03 0.00 -2.27 0.00 0.00 64.05 61.26 1yaj n THR 331 Cb 0.62 -1.17 0.14 0.00 -2.10 0.00 0.00 70.33 67.83 1yaj n THR 331 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1yaj h PRO 332 N 0.70 0.22 0.19 -0.78 0.11 -2.00 -2.16 132.00 128.29 1yaj h PRO 332 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1yaj h PRO 332 Cb 1.36 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.39 1yaj h PRO 332 CO 0.52 0.15 -0.39 0.93 -0.21 0.00 0.00 178.00 179.00 1yaj h GLU 333 N 0.23 -0.60 -1.01 1.05 3.07 -1.92 -0.98 114.58 114.43 1yaj h GLU 333 Ca 0.37 0.04 0.26 0.00 -0.50 0.00 0.00 59.36 59.53 1yaj h GLU 333 Cb 0.61 0.14 -0.13 0.00 -0.84 0.00 0.00 28.75 28.53 1yaj h GLU 333 CO -0.49 -0.40 0.60 0.93 -1.40 0.00 0.00 179.01 178.25 1yaj h GLU 334 N -0.63 0.53 -0.38 2.33 5.08 -1.82 -1.58 114.58 118.11 1yaj h GLU 334 Ca -0.02 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1yaj h GLU 334 Cb 0.59 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1yaj h GLU 334 CO -0.15 0.35 0.16 -0.07 -1.00 0.00 0.00 179.01 178.29 1yaj h LEU 335 N 0.54 0.53 0.00 1.33 3.38 -0.62 -2.75 115.31 117.72 1yaj h LEU 335 Ca 0.66 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.46 1yaj h LEU 335 Cb 1.30 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1yaj h LEU 335 CO -0.48 0.55 0.00 0.00 0.09 0.00 0.00 178.44 178.59 1yaj n GLN 336 N -4.66 0.33 0.20 1.13 10.64 -0.49 -2.42 117.38 122.11 1yaj n GLN 336 Ca -0.00 0.08 0.09 0.00 -1.83 0.00 0.00 57.00 55.34 1yaj n GLN 336 Cb 0.14 -1.50 0.19 0.00 -0.86 0.00 0.00 30.24 28.21 1yaj n GLN 336 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1yaj h ALA 337 N 3.00 0.89 -2.68 2.61 0.00 -1.20 -3.45 119.26 118.41 1yaj h ALA 337 Ca 0.00 -0.19 -0.56 0.00 0.00 0.00 0.00 54.91 54.16 1yaj h ALA 337 Cb 0.17 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1yaj h ALA 337 CO 0.00 0.26 -0.01 -2.00 0.00 0.00 0.00 179.25 177.50 1yaj s GLU 338 N -3.21 4.22 -0.45 0.00 -6.30 -1.02 -5.02 118.70 106.93 1yaj s GLU 338 Ca 0.05 0.77 0.07 0.00 -2.50 0.00 0.00 54.97 53.35 1yaj s GLU 338 Cb 0.07 -3.19 0.41 0.00 0.00 0.00 0.00 34.13 31.42 1yaj s GLU 338 CO 0.68 0.60 1.06 0.54 0.02 0.00 0.00 175.26 178.16 1yaj n ARG 339 N 1.56 3.07 -0.26 4.30 1.74 -1.26 -4.67 116.66 121.14 1yaj n ARG 339 Ca -0.09 -4.39 0.00 0.00 -0.77 0.00 0.00 57.85 52.60 1yaj n ARG 339 Cb 0.51 -2.12 0.00 0.00 -1.02 0.00 0.00 32.46 29.83 1yaj n ARG 339 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1yaj n ASN 340 N -0.37 0.00 -4.94 0.55 4.13 -1.26 -5.06 115.26 108.31 1yaj n ASN 340 Ca 0.34 -1.43 -0.20 0.00 1.68 0.00 0.00 54.58 54.98 1yaj n ASN 340 Cb 0.63 -0.09 -0.01 0.00 -1.54 0.00 0.00 39.78 38.77 1yaj n ASN 340 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1yaj s PHE 341 N 0.00 3.00 0.38 3.10 5.36 -1.26 -5.09 117.98 123.47 1yaj s PHE 341 Ca 0.00 -0.28 -0.27 0.00 -0.96 0.00 0.00 56.93 55.43 1yaj s PHE 341 Cb 0.00 -1.97 -0.09 0.00 -0.34 0.00 0.00 43.02 40.61 1yaj s PHE 341 CO 0.00 0.01 1.28 -1.58 -1.46 0.00 0.00 175.22 173.47 1yaj s HIS 342 N -2.25 2.93 0.12 10.12 5.04 -1.26 -5.05 115.29 124.94 1yaj s HIS 342 Ca 0.45 1.44 0.03 0.00 -1.54 0.00 0.00 55.06 55.44 1yaj s HIS 342 Cb -0.08 -3.62 -0.04 0.00 0.04 0.00 0.00 32.58 28.88 1yaj s HIS 342 CO 0.30 -1.88 -0.08 0.95 -2.34 0.00 0.00 174.74 171.69 1yaj s THR 343 N -1.25 0.89 0.05 0.89 -4.23 -1.26 -5.04 115.64 105.69 1yaj s THR 343 Ca 0.55 -1.97 -0.17 0.00 -1.18 0.00 0.00 61.69 58.91 1yaj s THR 343 Cb -0.37 -1.73 0.03 0.00 1.34 0.00 0.00 72.50 71.77 1yaj s THR 343 CO 0.48 -0.81 0.40 0.68 -0.54 0.00 0.00 174.62 174.83 1yaj s VAL 344 N -3.46 0.06 -0.36 2.29 -7.23 -1.26 -5.05 120.40 105.39 1yaj s VAL 344 Ca 0.13 -0.49 -0.39 0.00 -1.81 0.00 0.00 61.98 59.42 1yaj s VAL 344 Cb 0.04 -0.96 -0.14 0.00 0.56 0.00 0.00 36.38 35.87 1yaj s VAL 344 CO -0.02 -0.27 2.03 -2.65 -0.31 0.00 0.00 175.10 173.87 1yaj n PRO 345 N 0.48 0.86 -3.93 4.82 -0.02 -1.26 -4.68 135.00 131.28 1yaj n PRO 345 Ca -0.18 0.27 -0.35 0.00 -2.02 0.00 0.00 63.50 61.22 1yaj n PRO 345 Cb 0.60 -2.14 -0.14 0.00 -0.02 0.00 0.00 33.50 31.80 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 5.79 3.08 -0.23 6.00 6.04 0.60 -1.82 117.35 136.81 1yaj s TYR 346 Ca 1.08 -1.48 -0.12 0.00 0.04 0.00 0.00 57.07 56.60 1yaj s TYR 346 Cb -1.07 -2.09 -0.05 0.00 -1.04 0.00 0.00 41.96 37.72 1yaj s TYR 346 CO 0.58 -0.71 0.21 1.41 -1.54 0.00 0.00 175.55 175.51 1yaj s MET 347 N 1.35 4.10 -0.07 4.97 -2.45 0.02 -1.91 119.30 125.31 1yaj s MET 347 Ca 0.00 -0.16 0.02 0.00 -1.25 0.00 0.00 55.69 54.30 1yaj s MET 347 Cb -0.17 -3.54 0.02 0.00 1.25 0.00 0.00 34.83 32.39 1yaj s MET 347 CO -0.03 0.05 -0.10 0.08 1.05 0.00 0.00 175.02 176.06 1yaj s VAL 348 N 1.09 0.97 0.09 10.11 1.01 0.18 -1.12 120.40 132.73 1yaj s VAL 348 Ca 0.10 -0.36 -0.05 0.00 0.00 0.00 0.00 61.98 61.67 1yaj s VAL 348 Cb -0.14 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 1yaj s VAL 348 CO 0.05 0.32 0.10 -0.83 0.00 0.00 0.00 175.10 174.75 1yaj s GLY 349 N 0.87 0.36 0.31 4.51 0.00 -0.92 -2.78 107.32 109.68 1yaj s GLY 349 Ca -0.11 -0.95 0.03 0.00 0.00 0.00 0.00 44.72 43.69 1yaj s GLY 349 CO 0.01 -1.05 0.09 -0.26 0.00 0.00 0.00 173.10 171.89 1yaj s ILE 350 N -3.91 0.79 -0.07 0.90 -4.36 -0.17 -1.82 121.20 112.56 1yaj s ILE 350 Ca 0.09 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.51 1yaj s ILE 350 Cb 0.06 -2.64 -0.02 0.00 1.25 0.00 0.00 42.46 41.11 1yaj s ILE 350 CO -0.08 0.00 -0.15 0.20 0.24 0.00 0.00 174.94 175.14 1yaj s ASN 351 N -3.44 3.90 0.03 4.36 0.02 -1.26 -0.66 114.94 117.90 1yaj s ASN 351 Ca 0.35 -0.26 -0.06 0.00 -1.02 0.00 0.00 52.86 51.87 1yaj s ASN 351 Cb 0.07 -1.00 -0.01 0.00 0.02 0.00 0.00 41.25 40.33 1yaj s ASN 351 CO 0.15 0.29 0.60 1.17 0.02 0.00 0.00 177.10 179.33 1yaj n LYS 352 N 2.65 -0.08 -3.71 -0.60 3.00 0.21 -2.90 118.16 116.73 1yaj n LYS 352 Ca -0.17 0.59 -0.35 0.00 -0.00 0.00 0.00 58.31 58.38 1yaj n LYS 352 Cb 0.52 -0.88 -0.08 0.00 0.00 0.00 0.00 35.03 34.59 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 -3.80 2.90 0.09 1.64 -0.21 -0.43 -4.91 119.66 114.93 1yaj s GLN 353 Ca -0.02 -3.01 -0.20 0.00 0.02 0.00 0.00 55.36 52.15 1yaj s GLN 353 Cb 0.02 -3.80 -0.09 0.00 1.00 0.00 0.00 33.01 30.14 1yaj s GLN 353 CO 0.11 -1.23 1.59 0.93 -2.12 0.00 0.00 175.29 174.57 1yaj h GLU 354 N 6.30 0.33 -0.90 2.91 4.39 -1.67 -2.79 114.58 123.14 1yaj h GLU 354 Ca 0.09 -0.07 -0.22 0.00 0.34 0.00 0.00 59.36 59.50 1yaj h GLU 354 Cb 0.86 -0.05 -0.13 0.00 -0.10 0.00 0.00 28.75 29.33 1yaj h GLU 354 CO 0.78 0.43 0.28 0.34 -1.16 0.00 0.00 179.01 179.68 1yaj n PHE 355 N -4.78 1.81 0.00 4.33 -0.00 -1.26 -3.51 117.46 114.05 1yaj n PHE 355 Ca -0.04 -1.06 0.00 0.00 -0.00 0.00 0.00 57.45 56.35 1yaj n PHE 355 Cb 0.16 -0.59 0.00 0.00 -0.00 0.00 0.00 39.48 39.05 1yaj n PHE 355 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1yaj n GLY 356 N -0.23 -2.51 1.50 7.13 0.00 -1.06 -4.78 105.19 105.25 1yaj n GLY 356 Ca 0.32 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1yaj n GLY 356 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1yaj n TRP 357 N -1.99 -0.50 0.00 1.61 -0.00 -1.26 -4.91 117.44 110.39 1yaj n TRP 357 Ca 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 57.50 57.59 1yaj n TRP 357 Cb 0.00 0.27 0.00 0.00 -0.00 0.00 0.00 31.31 31.58 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 -3.04 0.00 -0.30 5.87 7.94 -1.26 -1.03 117.00 125.18 1yaj n LEU 358 Ca 0.00 0.24 -0.08 0.00 -1.11 0.00 0.00 56.01 55.06 1yaj n LEU 358 Cb 0.16 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.03 1yaj n LEU 358 CO 0.00 0.00 0.37 -0.38 -1.11 0.00 0.00 177.39 176.27 1yaj n ILE 359 N -0.51 -0.49 -0.06 1.96 5.41 -1.26 -0.81 119.36 123.61 1yaj n ILE 359 Ca 0.00 1.81 -0.08 0.00 1.00 0.00 0.00 62.75 65.47 1yaj n ILE 359 Cb 0.00 -2.24 -0.02 0.00 -0.71 0.00 0.00 39.64 36.67 1yaj n ILE 359 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1yaj h PRO 360 N 0.00 -0.27 -0.88 0.38 0.11 -1.84 -0.05 132.00 129.45 1yaj h PRO 360 Ca 0.11 0.02 0.21 0.00 0.11 0.00 0.00 66.00 66.45 1yaj h PRO 360 Cb 0.29 0.06 -0.12 0.00 0.11 0.00 0.00 31.00 31.34 1yaj h PRO 360 CO -0.67 -0.18 0.37 1.98 -0.21 0.00 0.00 178.00 179.29 1yaj h MET 361 N -0.28 0.39 0.03 1.05 1.85 0.76 0.13 114.93 118.86 1yaj h MET 361 Ca 0.14 -0.02 -0.00 0.00 -0.61 0.00 0.00 59.70 59.21 1yaj h MET 361 Cb 0.51 -0.09 0.00 0.00 0.43 0.00 0.00 31.60 32.45 1yaj h MET 361 CO -0.43 0.26 -0.01 -0.07 -0.40 0.00 0.00 176.91 176.26 1yaj h LEU 363 N 0.41 -0.03 0.00 3.39 3.38 -0.02 -3.06 115.31 119.38 1yaj h LEU 363 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.51 1yaj h LEU 363 Cb 0.99 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1yaj h LEU 363 CO -0.51 -0.02 0.00 0.23 0.09 0.00 0.00 178.44 178.23 1yaj n MET 364 N -2.13 0.00 -3.42 1.13 2.81 -0.21 -4.78 117.12 110.51 1yaj n MET 364 Ca -0.00 0.00 -0.16 0.00 -1.81 0.00 0.00 57.70 55.72 1yaj n MET 364 Cb 0.01 -1.41 0.02 0.00 -0.71 0.00 0.00 33.22 31.14 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 -0.85 -6.32 -4.77 7.83 7.64 0.33 -4.00 113.62 113.49 1yaj n SER 365 Ca 0.00 -0.61 -0.39 0.00 1.01 0.00 0.00 58.87 58.88 1yaj n SER 365 Cb 0.00 -3.92 -0.02 0.00 -1.01 0.00 0.00 64.21 59.26 1yaj n SER 365 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1yaj s TYR 366 N -3.17 3.12 0.38 1.43 5.04 -0.47 -4.89 117.35 118.79 1yaj s TYR 366 Ca 0.18 1.54 0.20 0.00 -2.44 0.00 0.00 57.07 56.55 1yaj s TYR 366 Cb -0.05 -3.45 1.19 0.00 0.35 0.00 0.00 41.96 39.99 1yaj s TYR 366 CO 0.81 -1.37 1.68 -1.35 -1.34 0.00 0.00 175.55 173.99 1yaj h PRO 367 N 2.95 0.27 -6.02 4.97 0.11 -1.92 -3.43 132.00 128.92 1yaj h PRO 367 Ca -0.49 -0.02 -0.79 0.00 0.11 0.00 0.00 66.00 64.82 1yaj h PRO 367 Cb 1.23 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1yaj h PRO 367 CO 0.64 0.18 1.06 1.28 -0.21 0.00 0.00 178.00 180.95 1yaj n LEU 368 N -4.83 1.34 0.00 2.35 4.77 -1.26 -4.74 117.00 114.63 1yaj n LEU 368 Ca 0.32 0.87 0.00 0.00 -0.03 0.00 0.00 56.01 57.17 1yaj n LEU 368 Cb 1.08 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1yaj n LEU 368 CO 0.17 -0.73 0.12 -1.20 -1.33 0.00 0.00 177.39 174.42 1yaj n SER 369 N 6.33 0.00 -0.00 -1.43 7.64 -1.26 -4.84 113.62 120.05 1yaj n SER 369 Ca 0.41 -1.00 0.03 0.00 1.01 0.00 0.00 58.87 59.32 1yaj n SER 369 Cb 0.01 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.17 1yaj n SER 369 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1yaj n GLU 370 N 0.00 3.04 -0.98 1.43 -0.58 -1.26 -4.99 120.64 117.29 1yaj n GLU 370 Ca 0.00 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 1yaj n GLU 370 Cb 0.41 -0.95 0.00 0.00 -0.57 0.00 0.00 31.44 30.33 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 1.53 0.45 3.60 0.62 0.00 -1.26 -4.98 105.19 105.15 1yaj n GLY 371 Ca 0.00 -0.52 -0.05 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.95 0.32 -0.04 1.61 -2.07 -1.26 -4.65 119.66 112.62 1yaj s GLN 372 Ca 0.00 -0.05 -0.06 0.00 -1.82 0.00 0.00 55.36 53.43 1yaj s GLN 372 Cb 0.00 0.15 0.01 0.00 -1.09 0.00 0.00 33.01 32.08 1yaj s GLN 372 CO 0.00 -0.13 0.15 -1.17 -1.32 0.00 0.00 175.29 172.82 1yaj s LEU 373 N -1.76 1.46 0.21 2.60 2.96 -1.00 -4.90 118.68 118.25 1yaj s LEU 373 Ca 0.07 0.18 -0.13 0.00 -0.22 0.00 0.00 54.13 54.04 1yaj s LEU 373 Cb -0.01 0.55 -0.07 0.00 0.50 0.00 0.00 46.19 47.16 1yaj s LEU 373 CO -0.05 -0.13 0.59 1.51 -1.32 0.00 0.00 176.35 176.96 1yaj s ASP 374 N -0.27 6.75 0.60 3.68 -4.77 -1.26 -4.58 116.67 116.83 1yaj s ASP 374 Ca -0.03 1.07 0.29 0.00 -3.30 0.00 0.00 52.55 50.58 1yaj s ASP 374 Cb -0.03 -2.29 1.11 0.00 -1.09 0.00 0.00 42.92 40.63 1yaj s ASP 374 CO 0.00 -0.02 1.46 1.56 0.70 0.00 0.00 175.17 178.87 1yaj h GLN 375 N 2.93 0.00 0.00 2.11 1.08 -1.96 -1.77 115.11 117.49 1yaj h GLN 375 Ca -0.48 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.72 1yaj h GLN 375 Cb 1.18 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 1yaj h GLN 375 CO 0.67 0.00 0.00 1.63 -0.95 0.00 0.00 178.83 180.18 1yaj n LYS 376 N -3.40 0.00 -0.39 1.46 4.76 -1.26 -3.66 118.16 115.66 1yaj n LYS 376 Ca 0.22 0.21 0.32 0.00 -2.87 0.00 0.00 58.31 56.18 1yaj n LYS 376 Cb 1.38 -0.87 0.61 0.00 -1.84 0.00 0.00 35.03 34.31 1yaj n LYS 376 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1yaj h THR 377 N 0.00 0.31 -0.52 -0.18 2.02 -1.82 0.46 112.91 113.17 1yaj h THR 377 Ca 0.00 -0.07 0.10 0.00 0.77 0.00 0.00 66.41 67.22 1yaj h THR 377 Cb 0.00 0.10 -0.10 0.00 -1.74 0.00 0.00 68.15 66.41 1yaj h THR 377 CO 0.00 0.03 -0.15 0.00 0.37 0.00 0.00 175.52 175.77 1yaj h ALA 378 N 1.56 0.30 -1.08 6.16 0.00 -1.47 0.51 119.26 125.25 1yaj h ALA 378 Ca 0.71 0.20 0.29 0.00 0.00 0.00 0.00 54.91 56.11 1yaj h ALA 378 Cb 2.17 0.44 -0.10 0.00 0.00 0.00 0.00 17.79 20.29 1yaj h ALA 378 CO -0.30 -0.46 0.68 0.52 0.00 0.00 0.00 179.25 179.69 1yaj h MET 379 N -0.03 0.35 0.10 0.00 2.07 -0.14 -1.01 114.93 116.27 1yaj h MET 379 Ca 0.25 -0.02 -0.00 0.00 -2.07 0.00 0.00 59.70 57.85 1yaj h MET 379 Cb 0.41 -0.08 0.00 0.00 -1.87 0.00 0.00 31.60 30.06 1yaj h MET 379 CO -0.55 0.23 -0.05 1.03 1.07 0.00 0.00 176.91 178.64 1yaj h SER 380 N 0.36 -0.11 0.55 1.22 0.87 -0.07 -3.09 113.55 113.27 1yaj h SER 380 Ca 0.64 -0.45 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 1yaj h SER 380 Cb 1.66 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 63.65 1yaj h SER 380 CO -0.35 0.44 -0.31 -0.07 -0.53 0.00 0.00 176.83 176.01 1yaj h LEU 381 N -0.72 -0.75 -1.87 2.23 3.38 -0.29 -0.58 115.31 116.71 1yaj h LEU 381 Ca -0.01 0.04 0.26 0.00 0.09 0.00 0.00 57.88 58.26 1yaj h LEU 381 Cb 0.55 0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 1yaj h LEU 381 CO 0.02 -0.50 0.76 0.25 0.09 0.00 0.00 178.44 179.07 1yaj h LEU 382 N -0.80 0.00 0.32 1.67 5.85 -1.36 0.33 115.31 121.32 1yaj h LEU 382 Ca -0.07 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1yaj h LEU 382 Cb 0.64 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.67 1yaj h LEU 382 CO 0.09 0.00 -0.15 -0.25 -0.34 0.00 0.00 178.44 177.79 1yaj h TRP 383 N 0.00 -0.40 0.00 1.25 -0.00 -1.29 -3.15 115.95 112.35 1yaj h TRP 383 Ca 0.43 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.31 1yaj h TRP 383 Cb 1.95 0.13 0.00 0.00 -0.00 0.00 0.00 29.16 31.24 1yaj h TRP 383 CO 0.00 -0.21 0.00 1.63 -0.00 0.00 0.00 178.44 179.86 1yaj n LYS 384 N -5.06 0.21 -0.29 2.65 5.02 0.93 -1.06 118.16 120.55 1yaj n LYS 384 Ca -0.06 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.32 1yaj n LYS 384 Cb 0.19 -1.11 0.25 0.00 -0.02 0.00 0.00 35.03 34.34 1yaj n LYS 384 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1yaj n SER 385 N -0.61 3.50 -0.32 4.39 7.64 0.06 -4.62 113.62 123.65 1yaj n SER 385 Ca 0.01 -2.02 0.15 0.00 1.01 0.00 0.00 58.87 58.03 1yaj n SER 385 Cb 0.01 -0.37 0.34 0.00 -1.01 0.00 0.00 64.21 63.18 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 3.22 0.81 0.00 1.43 3.20 -1.24 0.50 116.97 124.89 1yaj h TYR 386 Ca 0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1yaj h TYR 386 Cb 0.88 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.95 1yaj h TYR 386 CO 0.38 -0.01 0.00 -0.35 -1.64 0.00 0.00 178.16 176.54 1yaj n PRO 387 N -4.98 0.35 0.00 1.82 -0.04 -1.26 -0.60 135.00 130.29 1yaj n PRO 387 Ca 0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 1yaj n PRO 387 Cb 0.70 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 1yaj n PRO 387 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1yaj n LEU 388 N -0.91 2.41 -0.04 1.53 4.77 0.16 -4.80 117.00 120.12 1yaj n LEU 388 Ca 0.07 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.01 1yaj n LEU 388 Cb 0.03 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.05 1yaj n LEU 388 CO 0.05 0.40 -0.80 1.33 -1.33 0.00 0.00 177.39 177.05 1yaj n VAL 389 N -2.31 0.60 -2.80 4.08 0.24 -0.17 -4.52 118.33 113.46 1yaj n VAL 389 Ca 0.00 -0.39 -0.10 0.00 -2.04 0.00 0.00 64.34 61.81 1yaj n VAL 389 Cb 0.41 -0.67 0.05 0.00 -1.47 0.00 0.00 33.84 32.17 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 -3.24 4.16 0.37 0.00 1.01 -1.26 -5.05 121.20 117.19 1yaj s ILE 391 Ca 0.11 -0.23 -0.27 0.00 0.00 0.00 0.00 60.65 60.25 1yaj s ILE 391 Cb -0.01 -2.91 -0.09 0.00 0.01 0.00 0.00 42.46 39.45 1yaj s ILE 391 CO 0.46 0.39 1.28 0.00 0.00 0.00 0.00 174.94 177.07 1yaj s ALA 392 N 1.29 3.34 0.12 9.38 0.00 -1.26 -4.80 121.76 129.82 1yaj s ALA 392 Ca 0.04 1.19 0.26 0.00 0.00 0.00 0.00 51.96 53.46 1yaj s ALA 392 Cb -0.15 -3.46 1.41 0.00 0.00 0.00 0.00 23.12 20.93 1yaj s ALA 392 CO 0.02 -0.69 1.78 -0.22 0.00 0.00 0.00 175.76 176.65 1yaj h LYS 393 N 2.98 0.00 -0.00 0.00 3.64 -1.97 0.24 116.57 121.45 1yaj h LYS 393 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1yaj h LYS 393 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1yaj h LYS 393 CO 0.64 0.00 -0.08 -0.85 -2.27 0.00 0.00 179.45 176.89 1yaj n GLU 394 N -2.46 0.81 -0.00 1.90 0.28 -1.26 -3.64 120.64 116.27 1yaj n GLU 394 Ca -0.02 -0.26 0.04 0.00 -0.16 0.00 0.00 57.16 56.77 1yaj n GLU 394 Cb 0.13 -1.49 -0.06 0.00 1.43 0.00 0.00 31.44 31.44 1yaj n GLU 394 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1yaj n LEU 395 N -0.87 0.08 -0.19 -1.84 4.77 0.82 -4.70 117.00 115.07 1yaj n LEU 395 Ca 0.16 -0.11 -0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1yaj n LEU 395 Cb 0.26 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.43 1yaj n LEU 395 CO 0.22 0.02 0.81 0.40 -1.33 0.00 0.00 177.39 177.51 1yaj h ILE 396 N 0.00 0.48 0.61 -0.08 1.08 -1.59 0.72 117.51 118.74 1yaj h ILE 396 Ca 0.00 -0.03 -0.02 0.00 -0.39 0.00 0.00 64.86 64.42 1yaj h ILE 396 Cb 0.36 0.40 -0.01 0.00 -3.07 0.00 0.00 36.82 34.50 1yaj h ILE 396 CO 0.00 0.01 -0.45 -0.65 -0.69 0.00 0.00 178.15 176.37 1yaj h PRO 397 N 0.08 -0.98 -0.98 2.37 0.11 -1.84 0.43 132.00 131.19 1yaj h PRO 397 Ca 0.30 0.07 0.11 0.00 0.11 0.00 0.00 66.00 66.59 1yaj h PRO 397 Cb 0.48 0.22 -0.08 0.00 0.11 0.00 0.00 31.00 31.73 1yaj h PRO 397 CO -0.53 -0.65 0.61 1.49 -0.21 0.00 0.00 178.00 178.70 1yaj h GLU 398 N -1.02 0.95 0.76 1.05 4.81 -1.80 -2.81 114.58 116.53 1yaj h GLU 398 Ca -0.08 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.05 1yaj h GLU 398 Cb 0.84 -0.21 0.01 0.00 0.63 0.00 0.00 28.75 30.01 1yaj h GLU 398 CO 0.03 0.63 -0.37 0.00 -0.73 0.00 0.00 179.01 178.57 1yaj h ALA 399 N 1.52 -1.03 0.00 2.92 0.00 -0.59 -3.19 119.26 118.90 1yaj h ALA 399 Ca 0.48 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1yaj h ALA 399 Cb 0.46 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1yaj h ALA 399 CO -0.26 -0.96 0.06 2.41 0.00 0.00 0.00 179.25 180.51 1yaj n THR 400 N -5.44 0.80 0.07 0.00 -1.04 0.15 -3.09 114.28 105.72 1yaj n THR 400 Ca -0.13 -0.28 0.00 0.00 -2.04 0.00 0.00 64.05 61.60 1yaj n THR 400 Cb 0.40 -1.34 0.00 0.00 -1.82 0.00 0.00 70.33 67.58 1yaj n THR 400 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1yaj n GLU 401 N 2.16 0.00 0.24 -2.82 4.07 -1.21 -4.60 120.64 118.49 1yaj n GLU 401 Ca 0.05 0.00 0.18 0.00 -0.06 0.00 0.00 57.16 57.32 1yaj n GLU 401 Cb 0.22 -0.05 0.89 0.00 -0.06 0.00 0.00 31.44 32.44 1yaj n GLU 401 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 1yaj h LYS 402 N 0.00 0.00 0.00 5.31 1.63 -1.62 0.40 116.57 122.28 1yaj h LYS 402 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1yaj h LYS 402 Cb 0.05 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 1yaj h LYS 402 CO 0.00 0.00 -0.46 0.66 -3.45 0.00 0.00 179.45 176.20 1yaj n TYR 403 N -3.61 0.31 0.50 1.91 4.02 -1.26 -4.67 117.16 114.35 1yaj n TYR 403 Ca 0.00 0.13 0.12 0.00 -0.01 0.00 0.00 57.90 58.15 1yaj n TYR 403 Cb 0.28 -0.45 0.23 0.00 -0.02 0.00 0.00 39.34 39.38 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 -0.62 0.00 0.00 7.72 3.38 -1.82 -3.35 115.31 120.62 1yaj h LEU 404 Ca 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1yaj h LEU 404 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1yaj h LEU 404 CO 0.00 0.05 0.04 0.61 0.09 0.00 0.00 178.44 179.23 1yaj n GLY 405 N 1.28 -0.19 0.00 0.83 0.00 0.14 -4.06 105.19 103.19 1yaj n GLY 405 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.15 -0.37 3.83 -0.02 0.00 -1.26 -4.93 105.19 101.29 1yaj n GLY 406 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1yaj n GLY 406 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1yaj s THR 407 N 0.00 4.15 -0.29 2.61 -4.23 -1.26 -4.95 115.64 111.66 1yaj s THR 407 Ca 0.00 0.82 0.02 0.00 -1.18 0.00 0.00 61.69 61.36 1yaj s THR 407 Cb 0.00 -3.51 0.42 0.00 1.34 0.00 0.00 72.50 70.75 1yaj s THR 407 CO 0.00 -0.79 1.61 0.47 -0.54 0.00 0.00 174.62 175.37 1yaj n ASP 408 N -2.56 3.63 -4.41 3.99 8.00 -1.26 -4.90 116.55 119.05 1yaj n ASP 408 Ca 0.07 -3.04 -0.32 0.00 0.71 0.00 0.00 54.79 52.21 1yaj n ASP 408 Cb 0.53 -0.73 -0.14 0.00 -0.02 0.00 0.00 41.12 40.76 1yaj n ASP 408 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1yaj s ASP 409 N -0.46 3.81 0.45 -2.24 2.15 -1.26 -5.03 116.67 114.09 1yaj s ASP 409 Ca 0.37 -0.29 0.24 0.00 0.43 0.00 0.00 52.55 53.30 1yaj s ASP 409 Cb 0.31 -0.98 0.94 0.00 -0.30 0.00 0.00 42.92 42.89 1yaj s ASP 409 CO 0.07 0.29 1.84 0.71 -0.17 0.00 0.00 175.17 177.90 1yaj h THR 410 N 4.70 0.55 0.55 1.71 1.35 -1.90 -2.77 112.91 117.09 1yaj h THR 410 Ca -0.39 -1.09 -0.03 0.00 -0.55 0.00 0.00 66.41 64.35 1yaj h THR 410 Cb 1.17 1.75 0.01 0.00 -1.73 0.00 0.00 68.15 69.34 1yaj h THR 410 CO 0.51 0.21 -0.26 0.58 -0.25 0.00 0.00 175.52 176.31 1yaj h VAL 411 N 0.00 0.09 0.00 6.82 2.07 -1.87 -2.61 116.25 120.74 1yaj h VAL 411 Ca -0.00 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1yaj h VAL 411 Cb 0.73 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1yaj h VAL 411 CO 0.03 0.02 0.00 0.29 0.02 0.00 0.00 177.57 177.93 1yaj n LYS 412 N -5.27 0.07 0.00 1.57 5.02 -1.25 -1.74 118.16 116.56 1yaj n LYS 412 Ca -0.10 0.33 0.14 0.00 -2.02 0.00 0.00 58.31 56.66 1yaj n LYS 412 Cb 0.30 -1.63 0.61 0.00 -0.02 0.00 0.00 35.03 34.30 1yaj n LYS 412 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1yaj n LYS 413 N -1.75 0.03 -0.00 1.97 5.02 -1.04 -2.40 118.16 119.98 1yaj n LYS 413 Ca 0.03 -0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.12 1yaj n LYS 413 Cb 0.18 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.55 1yaj n LYS 413 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1yaj n LYS 414 N -1.49 0.74 0.10 1.97 4.81 -0.71 -3.50 118.16 120.08 1yaj n LYS 414 Ca 0.07 0.26 -0.13 0.00 -0.87 0.00 0.00 58.31 57.64 1yaj n LYS 414 Cb 0.33 -1.71 -0.08 0.00 0.02 0.00 0.00 35.03 33.59 1yaj n LYS 414 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1yaj h ASP 415 N 0.06 -0.18 0.10 3.14 3.32 -1.56 -1.78 116.42 119.51 1yaj h ASP 415 Ca -0.42 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.48 1yaj h ASP 415 Cb 2.03 0.05 0.00 0.00 0.22 0.00 0.00 39.33 41.63 1yaj h ASP 415 CO 0.08 0.05 0.00 -0.07 -1.72 0.00 0.00 179.24 177.58 1yaj h LEU 416 N -0.42 0.00 -0.01 1.55 3.38 -1.66 -0.66 115.31 117.50 1yaj h LEU 416 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1yaj h LEU 416 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1yaj h LEU 416 CO 0.04 0.00 -0.07 0.15 0.09 0.00 0.00 178.44 178.64 1yaj h PHE 417 N 0.00 0.09 0.00 1.13 3.57 -1.38 -2.40 116.94 117.94 1yaj h PHE 417 Ca 0.00 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.40 1yaj h PHE 417 Cb 0.05 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1yaj h PHE 417 CO 0.00 0.78 -0.26 -0.07 -2.23 0.00 0.00 178.31 176.53 1yaj h LEU 418 N -0.63 0.00 -1.03 0.59 3.38 -0.76 0.22 115.31 117.08 1yaj h LEU 418 Ca -0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1yaj h LEU 418 Cb 0.80 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1yaj h LEU 418 CO 0.01 0.26 -0.31 0.44 0.09 0.00 0.00 178.44 178.93 1yaj h ASP 419 N 0.00 0.31 0.00 -0.43 3.32 -1.16 -1.96 116.42 116.50 1yaj h ASP 419 Ca -0.00 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1yaj h ASP 419 Cb 0.52 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1yaj h ASP 419 CO 0.03 0.62 0.00 -0.11 -1.72 0.00 0.00 179.24 178.06 1yaj n LEU 420 N -4.10 0.06 -0.38 1.55 -0.00 0.03 -1.81 117.00 112.35 1yaj n LEU 420 Ca -0.01 0.84 0.00 0.00 -0.00 0.00 0.00 56.01 56.84 1yaj n LEU 420 Cb 0.42 -0.38 0.06 0.00 -0.00 0.00 0.00 43.42 43.51 1yaj n LEU 420 CO 0.41 -0.38 0.60 0.40 -0.00 0.00 0.00 177.39 178.42 1yaj h ILE 421 N 0.00 0.01 -0.54 1.96 2.04 -1.48 0.45 117.51 119.95 1yaj h ILE 421 Ca 0.00 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.94 1yaj h ILE 421 Cb 0.00 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.05 1yaj h ILE 421 CO 0.00 0.00 0.36 0.00 0.00 0.00 0.00 178.15 178.51 1yaj h ALA 422 N 1.48 2.01 0.00 1.87 0.00 -1.40 -0.38 119.26 122.84 1yaj h ALA 422 Ca 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1yaj h ALA 422 Cb 0.62 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1yaj h ALA 422 CO -0.99 -0.13 0.00 -0.44 0.00 0.00 0.00 179.25 177.69 1yaj h ASP 423 N 0.37 0.00 0.15 0.00 5.19 0.69 -0.50 116.42 122.32 1yaj h ASP 423 Ca 0.24 0.00 -0.36 0.00 -0.62 0.00 0.00 57.03 56.29 1yaj h ASP 423 Cb 0.47 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.94 1yaj h ASP 423 CO -0.06 0.00 -2.09 0.52 -3.12 0.00 0.00 179.24 174.48 1yaj n VAL 424 N -3.03 1.66 0.02 -1.35 0.31 -0.70 -0.06 118.33 115.18 1yaj n VAL 424 Ca 0.03 -0.67 -0.19 0.00 -0.01 0.00 0.00 64.34 63.50 1yaj n VAL 424 Cb 0.47 -1.46 -0.12 0.00 -0.91 0.00 0.00 33.84 31.82 1yaj n VAL 424 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1yaj h MET 425 N 0.04 0.44 0.00 5.55 2.86 -1.15 -3.40 114.93 119.27 1yaj h MET 425 Ca -0.45 -0.52 -0.00 0.00 -2.06 0.00 0.00 59.70 56.67 1yaj h MET 425 Cb 2.02 0.16 -0.00 0.00 0.06 0.00 0.00 31.60 33.83 1yaj h MET 425 CO 0.04 1.17 -0.92 1.19 1.06 0.00 0.00 176.91 179.46 1yaj n PHE 426 N -4.13 0.00 0.00 -0.22 3.01 -0.72 -4.65 117.46 110.75 1yaj n PHE 426 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.35 1yaj n PHE 426 Cb 0.75 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.21 1yaj n PHE 426 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yaj n GLY 427 N 3.04 -0.10 0.31 1.37 0.00 -0.28 0.20 105.19 109.74 1yaj n GLY 427 Ca -0.00 0.02 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 1yaj n GLY 427 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1yaj h VAL 428 N 0.00 0.30 -0.35 1.61 2.07 -0.76 -2.12 116.25 117.00 1yaj h VAL 428 Ca 0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1yaj h VAL 428 Cb 0.00 0.30 -0.06 0.00 -1.52 0.00 0.00 31.29 30.01 1yaj h VAL 428 CO 0.00 0.00 -0.35 -0.65 0.02 0.00 0.00 177.57 176.59 1yaj h PRO 429 N -0.29 -0.17 -0.88 1.57 0.11 -1.73 -0.84 132.00 129.78 1yaj h PRO 429 Ca 0.14 0.01 0.22 0.00 0.11 0.00 0.00 66.00 66.48 1yaj h PRO 429 Cb 0.51 0.04 -0.13 0.00 0.11 0.00 0.00 31.00 31.54 1yaj h PRO 429 CO -0.44 -0.11 0.34 0.77 -0.21 0.00 0.00 178.00 178.35 1yaj h SER 430 N -0.18 0.24 -0.52 -2.05 0.02 0.18 -0.62 113.55 110.63 1yaj h SER 430 Ca 0.06 0.16 -0.08 0.00 -0.84 0.00 0.00 61.79 61.09 1yaj h SER 430 Cb 0.33 0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 1yaj h SER 430 CO -0.43 -0.04 0.02 0.58 -1.14 0.00 0.00 176.83 175.82 1yaj h VAL 431 N 0.35 1.26 -0.23 2.27 2.07 -0.58 -2.33 116.25 119.06 1yaj h VAL 431 Ca 0.55 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 1yaj h VAL 431 Cb 1.05 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1yaj h VAL 431 CO -0.55 0.38 0.12 0.40 0.02 0.00 0.00 177.57 177.93 1yaj h ILE 432 N 0.77 1.13 -0.55 4.57 2.04 0.16 0.30 117.51 125.92 1yaj h ILE 432 Ca 0.15 -0.35 0.10 0.00 1.00 0.00 0.00 64.86 65.76 1yaj h ILE 432 Cb 0.50 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 1yaj h ILE 432 CO 0.02 0.12 0.37 0.58 0.00 0.00 0.00 178.15 179.25 1yaj h VAL 433 N 0.25 0.88 0.56 1.67 2.07 -1.16 -1.53 116.25 118.98 1yaj h VAL 433 Ca 0.08 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 1yaj h VAL 433 Cb 0.09 0.53 0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1yaj h VAL 433 CO -0.01 0.06 -0.27 0.00 0.02 0.00 0.00 177.57 177.37 1yaj h ALA 434 N 1.72 -0.80 -0.83 1.67 0.00 -0.74 -2.31 119.26 117.98 1yaj h ALA 434 Ca 0.26 -0.16 0.20 0.00 0.00 0.00 0.00 54.91 55.20 1yaj h ALA 434 Cb 0.58 0.29 -0.13 0.00 0.00 0.00 0.00 17.79 18.54 1yaj h ALA 434 CO -0.06 -0.75 0.24 0.00 0.00 0.00 0.00 179.25 178.68 1yaj h ARG 435 N -1.12 0.26 -0.11 0.00 3.08 -0.56 0.14 114.38 116.08 1yaj h ARG 435 Ca -0.08 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 1yaj h ARG 435 Cb 0.57 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 1yaj h ARG 435 CO 0.13 0.17 -0.00 -0.91 -1.07 0.00 0.00 179.97 178.29 1yaj h ASN 436 N 0.27 0.19 -0.94 7.04 -0.26 -1.35 -0.85 115.58 119.68 1yaj h ASN 436 Ca 0.50 -0.31 0.07 0.00 -0.56 0.00 0.00 56.30 56.00 1yaj h ASN 436 Cb 0.94 -0.05 -0.06 0.00 -1.06 0.00 0.00 38.32 38.08 1yaj h ASN 436 CO -0.58 0.46 0.61 -0.74 -1.06 0.00 0.00 177.43 176.12 1yaj h HIS 437 N -0.08 1.09 0.10 1.19 2.76 -0.69 0.35 115.15 119.87 1yaj h HIS 437 Ca 0.03 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.23 1yaj h HIS 437 Cb 0.36 -0.36 -0.00 0.00 1.55 0.00 0.00 27.41 28.96 1yaj h HIS 437 CO 0.03 0.56 -0.07 -0.09 -1.30 0.00 0.00 177.93 177.06 1yaj h ARG 438 N 1.06 -0.15 -0.99 5.26 2.43 -0.43 -2.96 114.38 118.59 1yaj h ARG 438 Ca 0.41 0.01 0.19 0.00 -0.81 0.00 0.00 59.98 59.79 1yaj h ARG 438 Cb 0.23 0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 29.71 1yaj h ARG 438 CO -0.16 -0.10 0.61 -0.44 -1.51 0.00 0.00 179.97 178.37 1yaj h ASP 439 N -0.16 0.71 -1.05 -3.80 3.32 -0.79 -0.27 116.42 114.39 1yaj h ASP 439 Ca -0.01 0.09 0.30 0.00 0.02 0.00 0.00 57.03 57.42 1yaj h ASP 439 Cb 0.13 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.59 1yaj h ASP 439 CO 0.01 0.26 0.74 0.00 -1.72 0.00 0.00 179.24 178.52 1yaj h ALA 440 N 1.63 2.89 0.00 3.45 0.00 -0.14 -3.45 119.26 123.65 1yaj h ALA 440 Ca 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1yaj h ALA 440 Cb 0.97 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1yaj h ALA 440 CO -0.34 -1.20 0.00 0.41 0.00 0.00 0.00 179.25 178.12 1yaj n GLY 441 N -1.71 0.94 3.20 0.00 0.00 -0.11 -4.89 105.19 102.62 1yaj n GLY 441 Ca 0.22 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.12 1yaj n GLY 441 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj s ALA 442 N -1.61 -0.66 -0.09 4.61 0.00 -1.22 -4.99 121.76 117.81 1yaj s ALA 442 Ca 0.00 0.23 -0.36 0.00 0.00 0.00 0.00 51.96 51.82 1yaj s ALA 442 Cb 0.00 0.06 -0.14 0.00 0.00 0.00 0.00 23.12 23.04 1yaj s ALA 442 CO 0.00 -0.24 1.73 -2.30 0.00 0.00 0.00 175.76 174.95 1yaj n PRO 443 N 1.40 1.74 -4.24 0.00 -0.02 -1.26 -4.43 135.00 128.18 1yaj n PRO 443 Ca -0.21 0.64 -0.20 0.00 -2.02 0.00 0.00 63.50 61.70 1yaj n PRO 443 Cb 0.56 -2.40 -0.12 0.00 -0.02 0.00 0.00 33.50 31.52 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 3.01 1.30 -0.11 3.45 2.01 -1.26 -0.29 115.64 123.74 1yaj s THR 444 Ca 0.91 -1.33 -0.09 0.00 0.31 0.00 0.00 61.69 61.49 1yaj s THR 444 Cb -0.84 -1.21 0.03 0.00 0.01 0.00 0.00 72.50 70.50 1yaj s THR 444 CO 0.53 -0.14 0.29 -0.31 -0.69 0.00 0.00 174.62 174.31 1yaj s TYR 445 N -1.17 -0.34 0.12 4.92 2.02 -0.80 -1.75 117.35 120.35 1yaj s TYR 445 Ca 0.01 0.81 0.04 0.00 -0.37 0.00 0.00 57.07 57.56 1yaj s TYR 445 Cb -0.10 0.11 -0.04 0.00 -0.40 0.00 0.00 41.96 41.53 1yaj s TYR 445 CO 0.03 -0.18 -0.11 -1.64 -1.57 0.00 0.00 175.55 172.08 1yaj s MET 446 N 0.39 0.94 0.04 -0.62 -1.94 -1.25 0.50 119.30 117.36 1yaj s MET 446 Ca -0.02 -1.26 -0.14 0.00 -1.71 0.00 0.00 55.69 52.56 1yaj s MET 446 Cb -0.04 -0.63 0.02 0.00 2.01 0.00 0.00 34.83 36.20 1yaj s MET 446 CO -0.02 0.10 0.31 1.52 -0.01 0.00 0.00 175.02 176.92 1yaj s TYR 447 N -2.66 -0.12 -0.36 -0.03 1.13 -1.12 -1.18 117.35 113.01 1yaj s TYR 447 Ca 0.10 0.01 0.02 0.00 -1.41 0.00 0.00 57.07 55.79 1yaj s TYR 447 Cb -0.02 0.10 0.11 0.00 -1.10 0.00 0.00 41.96 41.06 1yaj s TYR 447 CO 0.01 -0.50 0.12 -2.00 -2.51 0.00 0.00 175.55 170.67 1yaj s GLU 448 N -2.42 1.22 0.32 -3.49 2.12 0.48 -1.00 118.70 115.92 1yaj s GLU 448 Ca -0.06 -1.69 -0.29 0.00 0.36 0.00 0.00 54.97 53.30 1yaj s GLU 448 Cb -0.01 -2.64 -0.10 0.00 0.26 0.00 0.00 34.13 31.63 1yaj s GLU 448 CO -0.02 -1.01 1.40 0.12 -0.54 0.00 0.00 175.26 175.20 1yaj s PHE 449 N 0.95 2.92 -0.38 5.30 5.36 0.17 -2.61 117.98 129.69 1yaj s PHE 449 Ca 0.12 1.23 0.04 0.00 -0.96 0.00 0.00 56.93 57.36 1yaj s PHE 449 Cb -0.20 -3.81 0.16 0.00 -0.34 0.00 0.00 43.02 38.83 1yaj s PHE 449 CO -0.12 -2.41 0.40 -1.14 -1.46 0.00 0.00 175.22 170.49 1yaj s GLN 450 N -1.42 0.69 -0.28 10.12 0.74 0.23 -0.62 119.66 129.12 1yaj s GLN 450 Ca 0.53 -0.98 -0.22 0.00 0.05 0.00 0.00 55.36 54.74 1yaj s GLN 450 Cb -0.42 -0.73 0.11 0.00 1.10 0.00 0.00 33.01 33.07 1yaj s GLN 450 CO 0.52 -1.22 0.94 -0.47 -0.55 0.00 0.00 175.29 174.51 1yaj s TYR 451 N 1.28 -0.60 -0.30 1.67 5.04 -1.26 -3.76 117.35 119.41 1yaj s TYR 451 Ca 0.19 1.37 -0.14 0.00 -2.44 0.00 0.00 57.07 56.05 1yaj s TYR 451 Cb -0.13 0.37 -0.03 0.00 0.35 0.00 0.00 41.96 42.52 1yaj s TYR 451 CO -0.04 -0.29 0.33 0.50 -1.34 0.00 0.00 175.55 174.71 1yaj s ARG 452 N 0.61 3.80 1.03 4.97 3.52 -1.26 -2.95 118.95 128.67 1yaj s ARG 452 Ca -0.01 -0.23 -0.14 0.00 -0.13 0.00 0.00 55.73 55.22 1yaj s ARG 452 Cb -0.05 -3.72 0.20 0.00 -1.56 0.00 0.00 34.95 29.82 1yaj s ARG 452 CO -0.08 -0.37 1.12 -1.25 -0.81 0.00 0.00 175.30 173.91 1yaj s PRO 453 N 1.98 0.17 -0.01 5.12 0.04 -1.26 -4.99 135.00 136.06 1yaj s PRO 453 Ca 0.12 0.27 0.16 0.00 0.04 0.00 0.00 61.00 61.59 1yaj s PRO 453 Cb -0.16 -1.73 -0.19 0.00 0.04 0.00 0.00 34.50 32.45 1yaj s PRO 453 CO 0.11 -2.85 0.59 -1.13 0.04 0.00 0.00 177.00 173.77 1yaj n SER 454 N -4.21 0.88 0.00 6.66 3.41 -1.26 -4.31 113.62 114.78 1yaj n SER 454 Ca 0.08 -0.65 0.15 0.00 -0.26 0.00 0.00 58.87 58.19 1yaj n SER 454 Cb 0.58 1.19 0.80 0.00 -0.26 0.00 0.00 64.21 66.53 1yaj n SER 454 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1yaj n PHE 455 N -1.56 0.00 0.00 7.33 0.99 -1.26 -4.87 117.46 118.09 1yaj n PHE 455 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.46 1yaj n PHE 455 Cb 0.29 -0.20 0.00 0.00 -1.00 0.00 0.00 39.48 38.57 1yaj n PHE 455 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1yaj n SER 456 N -1.20 -0.39 -4.69 4.37 7.64 -1.26 -5.05 113.62 113.04 1yaj n SER 456 Ca 0.17 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.79 1yaj n SER 456 Cb 0.20 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.31 1yaj n SER 456 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1yaj s SER 457 N -2.12 4.23 0.46 6.43 0.15 -1.26 -5.03 113.70 116.56 1yaj s SER 457 Ca 0.00 -1.14 0.25 0.00 0.70 0.00 0.00 55.95 55.75 1yaj s SER 457 Cb 0.00 -0.47 0.54 0.00 -1.71 0.00 0.00 66.02 64.38 1yaj s SER 457 CO 0.00 -0.47 1.68 -2.24 1.20 0.00 0.00 173.24 173.41 1yaj h ASP 458 N 1.58 0.00 0.83 5.45 2.03 -1.99 -3.21 116.42 121.11 1yaj h ASP 458 Ca -0.43 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 55.78 1yaj h ASP 458 Cb 1.25 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.74 1yaj h ASP 458 CO 0.73 0.02 -0.45 0.24 -1.03 0.00 0.00 179.24 178.75 1yaj h MET 459 N 0.00 0.00 -6.39 4.15 2.86 -2.05 -3.43 114.93 110.07 1yaj h MET 459 Ca -0.00 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.07 1yaj h MET 459 Cb 0.92 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.52 1yaj h MET 459 CO 0.00 0.45 0.92 0.21 1.06 0.00 0.00 176.91 179.55 1yaj s LYS 460 N -3.56 3.93 0.08 1.72 2.20 -1.22 -4.98 119.74 117.93 1yaj s LYS 460 Ca 0.00 1.08 -0.33 0.00 -0.36 0.00 0.00 55.97 56.36 1yaj s LYS 460 Cb 0.11 -3.84 -0.12 0.00 -1.51 0.00 0.00 37.83 32.48 1yaj s LYS 460 CO 0.71 -1.09 1.76 -0.35 -0.36 0.00 0.00 175.35 176.02 1yaj n PRO 461 N 7.25 2.42 0.13 4.03 -0.04 -1.26 -4.83 135.00 142.70 1yaj n PRO 461 Ca 0.13 0.88 0.06 0.00 -0.04 0.00 0.00 63.50 64.54 1yaj n PRO 461 Cb 0.47 -2.72 0.33 0.00 -0.04 0.00 0.00 33.50 31.54 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 5.14 0.08 0.19 0.54 5.02 -1.26 -0.67 118.16 127.20 1yaj n LYS 462 Ca 0.19 0.54 0.14 0.00 -2.02 0.00 0.00 58.31 57.16 1yaj n LYS 462 Cb 0.32 -1.96 0.54 0.00 -0.02 0.00 0.00 35.03 33.91 1yaj n LYS 462 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1yaj h THR 463 N 0.00 0.00 -3.38 -0.18 1.35 -2.03 -3.42 112.91 105.25 1yaj h THR 463 Ca 0.00 -0.41 -0.59 0.00 -0.55 0.00 0.00 66.41 64.86 1yaj h THR 463 Cb 0.40 1.28 -0.09 0.00 -1.73 0.00 0.00 68.15 68.01 1yaj h THR 463 CO 0.00 0.00 0.21 -0.69 -0.25 0.00 0.00 175.52 174.79 1yaj s VAL 464 N -3.43 4.97 0.10 6.82 1.01 0.15 -5.06 120.40 124.97 1yaj s VAL 464 Ca 0.04 1.34 0.08 0.00 0.00 0.00 0.00 61.98 63.43 1yaj s VAL 464 Cb 0.09 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1yaj s VAL 464 CO 0.49 0.09 -0.20 -0.63 0.00 0.00 0.00 175.10 174.84 1yaj s ILE 465 N 1.97 1.64 -1.48 2.22 1.01 -1.26 -4.76 121.20 120.54 1yaj s ILE 465 Ca 0.32 -1.49 -0.12 0.00 0.00 0.00 0.00 60.65 59.35 1yaj s ILE 465 Cb -0.16 -1.50 0.06 0.00 0.01 0.00 0.00 42.46 40.87 1yaj s ILE 465 CO 0.11 -0.06 1.03 0.61 0.00 0.00 0.00 174.94 176.63 1yaj n GLY 466 N 1.16 -0.52 0.87 6.18 0.00 -1.15 -3.33 105.19 108.40 1yaj n GLY 466 Ca -0.20 0.21 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 1yaj n GLY 466 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1yaj n ASP 467 N -2.87 -2.00 -4.73 1.61 2.03 -1.23 -1.31 116.55 108.05 1yaj n ASP 467 Ca 0.03 -0.43 -0.42 0.00 0.52 0.00 0.00 54.79 54.50 1yaj n ASP 467 Cb 0.54 -0.26 -0.03 0.00 -0.72 0.00 0.00 41.12 40.65 1yaj n ASP 467 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1yaj s HIS 468 N -1.39 3.19 0.00 -0.67 2.46 -1.22 -2.88 115.29 114.77 1yaj s HIS 468 Ca 0.18 1.03 0.00 0.00 0.47 0.00 0.00 55.06 56.74 1yaj s HIS 468 Cb -0.03 -3.71 0.00 0.00 -0.13 0.00 0.00 32.58 28.72 1yaj s HIS 468 CO 0.15 -2.37 0.00 0.41 -2.47 0.00 0.00 174.74 170.46 1yaj n GLY 469 N 2.86 0.29 0.37 1.59 0.00 -1.26 -4.84 105.19 104.20 1yaj n GLY 469 Ca 0.09 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.30 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 0.84 1.61 3.32 -1.86 -0.22 116.42 120.10 1yaj h ASP 470 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1yaj h ASP 470 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1yaj h ASP 470 CO 0.00 0.00 0.00 1.05 -1.72 0.00 0.00 179.24 178.57 1yaj h GLU 471 N 0.00 0.00 -0.22 3.56 9.09 -1.88 -3.24 114.58 121.89 1yaj h GLU 471 Ca 0.18 0.00 0.06 0.00 0.05 0.00 0.00 59.36 59.65 1yaj h GLU 471 Cb 0.85 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.89 1yaj h GLU 471 CO -0.00 0.00 -0.18 -0.07 0.05 0.00 0.00 179.01 178.80 1yaj h LEU 472 N 0.00 -0.59 -0.98 3.06 3.38 -1.43 -1.74 115.31 117.01 1yaj h LEU 472 Ca 0.00 0.12 0.19 0.00 0.09 0.00 0.00 57.88 58.27 1yaj h LEU 472 Cb 0.42 0.29 -0.11 0.00 0.09 0.00 0.00 40.66 41.35 1yaj h LEU 472 CO 0.00 -0.22 0.58 -0.26 0.09 0.00 0.00 178.44 178.63 1yaj h PHE 473 N -0.19 1.02 0.15 1.13 -1.00 -1.76 0.22 116.94 116.51 1yaj h PHE 473 Ca 0.13 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.94 1yaj h PHE 473 Cb 0.38 -0.30 0.00 0.00 3.61 0.00 0.00 35.95 39.64 1yaj h PHE 473 CO -0.34 0.21 -0.07 0.77 -1.61 0.00 0.00 178.31 177.27 1yaj h SER 474 N 0.73 -0.17 -0.77 2.17 0.02 -1.65 0.47 113.55 114.35 1yaj h SER 474 Ca 0.57 -0.38 0.13 0.00 -0.84 0.00 0.00 61.79 61.27 1yaj h SER 474 Cb 0.89 0.04 -0.09 0.00 0.14 0.00 0.00 62.40 63.39 1yaj h SER 474 CO -0.39 0.36 0.35 0.58 -1.14 0.00 0.00 176.83 176.59 1yaj h VAL 475 N -0.78 0.73 -0.82 2.27 2.07 -0.60 0.18 116.25 119.30 1yaj h VAL 475 Ca -0.02 -0.18 -0.39 0.00 0.82 0.00 0.00 66.70 66.92 1yaj h VAL 475 Cb 0.53 0.15 -0.23 0.00 -1.52 0.00 0.00 31.29 30.22 1yaj h VAL 475 CO 0.03 0.10 0.50 0.49 0.02 0.00 0.00 177.57 178.71 1yaj n PHE 476 N -4.93 2.58 -3.81 1.57 3.01 0.72 -4.71 117.46 111.89 1yaj n PHE 476 Ca 0.14 -1.54 -0.24 0.00 1.01 0.00 0.00 57.45 56.82 1yaj n PHE 476 Cb 0.38 -0.81 -0.05 0.00 -0.01 0.00 0.00 39.48 39.00 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 -0.74 -0.21 0.36 1.37 0.00 0.05 -4.63 105.19 101.39 1yaj n GLY 477 Ca 0.49 0.15 0.02 0.00 0.00 0.00 0.00 46.02 46.68 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 1.44 1.47 -1.24 4.61 0.00 -0.31 -1.91 119.26 123.33 1yaj h ALA 478 Ca -0.46 -0.04 0.36 0.00 0.00 0.00 0.00 54.91 54.77 1yaj h ALA 478 Cb 0.96 -0.30 -0.08 0.00 0.00 0.00 0.00 17.79 18.37 1yaj h ALA 478 CO 0.45 0.44 0.84 -1.35 0.00 0.00 0.00 179.25 179.63 1yaj h PRO 479 N 1.06 0.14 -0.15 0.00 0.11 -1.87 0.37 132.00 131.66 1yaj h PRO 479 Ca 0.34 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.44 1yaj h PRO 479 Cb 0.04 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.12 1yaj h PRO 479 CO -0.10 0.10 0.00 1.19 -0.21 0.00 0.00 178.00 178.97 1yaj n PHE 480 N -4.41 0.19 0.00 0.65 3.01 -0.72 -4.01 117.46 112.18 1yaj n PHE 480 Ca 0.30 -0.10 0.00 0.00 1.01 0.00 0.00 57.45 58.66 1yaj n PHE 480 Cb 1.23 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.70 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 -0.08 0.80 -5.00 4.37 4.77 0.12 -4.96 117.00 117.03 1yaj n LEU 481 Ca 0.08 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.84 1yaj n LEU 481 Cb 0.15 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.31 1yaj n LEU 481 CO 0.06 0.13 0.42 -0.54 -1.33 0.00 0.00 177.39 176.13 1yaj s LYS 482 N -1.48 2.15 0.29 3.23 1.02 -0.52 -4.00 119.74 120.43 1yaj s LYS 482 Ca 0.00 -1.13 0.09 0.00 0.02 0.00 0.00 55.97 54.95 1yaj s LYS 482 Cb 0.00 -2.48 -0.04 0.00 -0.52 0.00 0.00 37.83 34.79 1yaj s LYS 482 CO 0.00 -1.02 0.05 -1.21 -0.92 0.00 0.00 175.35 172.26 1yaj s GLU 483 N -4.87 2.37 0.00 1.68 8.01 -1.26 -4.64 118.70 119.99 1yaj s GLU 483 Ca 0.62 -1.43 0.00 0.00 0.01 0.00 0.00 54.97 54.17 1yaj s GLU 483 Cb -0.07 -2.19 0.00 0.00 -4.31 0.00 0.00 34.13 27.55 1yaj s GLU 483 CO 0.41 0.30 0.00 0.41 0.01 0.00 0.00 175.26 176.38 1yaj n GLY 484 N -0.99 1.05 3.66 -1.39 0.00 -1.26 -4.95 105.19 101.32 1yaj n GLY 484 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1yaj n GLY 484 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj s ALA 485 N -2.46 3.61 0.57 4.61 0.00 -1.26 -4.98 121.76 121.84 1yaj s ALA 485 Ca 0.00 1.00 -0.16 0.00 0.00 0.00 0.00 51.96 52.80 1yaj s ALA 485 Cb 0.00 -3.76 -0.05 0.00 0.00 0.00 0.00 23.12 19.31 1yaj s ALA 485 CO 0.00 -1.43 1.04 -1.54 0.00 0.00 0.00 175.76 173.82 1yaj s SER 486 N 3.55 6.03 0.58 0.00 1.04 -1.26 -4.82 113.70 118.82 1yaj s SER 486 Ca 0.76 1.74 0.28 0.00 0.48 0.00 0.00 55.95 59.21 1yaj s SER 486 Cb -0.35 -2.52 1.55 0.00 0.10 0.00 0.00 66.02 64.79 1yaj s SER 486 CO 0.31 -1.00 2.00 -0.08 0.98 0.00 0.00 173.24 175.46 1yaj h GLU 487 N 0.56 0.00 0.19 4.02 4.57 -1.99 0.64 114.58 122.57 1yaj h GLU 487 Ca -0.47 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.70 1yaj h GLU 487 Cb 1.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1yaj h GLU 487 CO 0.59 0.00 -0.09 1.49 -1.18 0.00 0.00 179.01 179.82 1yaj h GLU 488 N 0.00 -0.24 -0.46 1.92 4.81 -2.00 -1.70 114.58 116.91 1yaj h GLU 488 Ca 0.16 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.34 1yaj h GLU 488 Cb 0.84 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.26 1yaj h GLU 488 CO -0.00 0.02 0.03 1.49 -0.73 0.00 0.00 179.01 179.83 1yaj h GLU 489 N -0.50 0.73 -0.07 1.92 4.81 -1.39 -1.69 114.58 118.40 1yaj h GLU 489 Ca -0.03 -0.17 0.02 0.00 -0.13 0.00 0.00 59.36 59.05 1yaj h GLU 489 Cb 0.38 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1yaj h GLU 489 CO 0.04 0.72 -0.03 0.82 -0.73 0.00 0.00 179.01 179.83 1yaj h ILE 490 N 0.70 0.89 -0.75 2.32 2.04 -0.85 -2.05 117.51 119.80 1yaj h ILE 490 Ca 0.14 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.98 1yaj h ILE 490 Cb 0.38 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 1yaj h ILE 490 CO 0.01 0.00 0.37 0.03 0.00 0.00 0.00 178.15 178.56 1yaj h ARG 491 N -0.03 1.05 -0.44 2.37 3.08 -0.97 -2.23 114.38 117.20 1yaj h ARG 491 Ca 0.04 -0.14 0.03 0.00 0.07 0.00 0.00 59.98 59.98 1yaj h ARG 491 Cb 0.09 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 1yaj h ARG 491 CO -0.09 0.80 0.25 1.25 -1.07 0.00 0.00 179.97 181.11 1yaj h LEU 492 N 1.05 0.38 -0.52 3.04 5.85 -0.81 -1.74 115.31 122.56 1yaj h LEU 492 Ca 0.26 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.92 1yaj h LEU 492 Cb 0.08 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1yaj h LEU 492 CO -0.04 0.27 0.04 -1.28 -0.34 0.00 0.00 178.44 177.10 1yaj h SER 493 N 0.49 0.87 -0.93 1.25 0.87 -1.15 -2.00 113.55 112.95 1yaj h SER 493 Ca 0.18 -0.29 0.11 0.00 -1.23 0.00 0.00 61.79 60.57 1yaj h SER 493 Cb 0.05 -0.23 -0.07 0.00 -0.44 0.00 0.00 62.40 61.70 1yaj h SER 493 CO -0.10 0.94 0.60 0.11 -0.53 0.00 0.00 176.83 177.85 1yaj h LYS 494 N 0.77 0.88 0.56 2.24 1.57 -1.02 0.41 116.57 121.98 1yaj h LYS 494 Ca 0.15 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1yaj h LYS 494 Cb 0.47 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.59 1yaj h LYS 494 CO 0.02 0.58 -0.27 1.98 -0.57 0.00 0.00 179.45 181.19 1yaj h MET 495 N 0.90 -0.72 -0.96 3.15 4.05 -0.89 -2.21 114.93 118.26 1yaj h MET 495 Ca 0.45 0.05 0.11 0.00 -0.28 0.00 0.00 59.70 60.03 1yaj h MET 495 Cb 0.48 0.16 -0.08 0.00 -0.80 0.00 0.00 31.60 31.36 1yaj h MET 495 CO -0.21 -0.45 0.59 0.28 0.23 0.00 0.00 176.91 177.34 1yaj h VAL 496 N -1.16 0.93 -0.37 -5.77 2.07 -1.17 0.38 116.25 111.15 1yaj h VAL 496 Ca -0.08 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.13 1yaj h VAL 496 Cb 0.60 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1yaj h VAL 496 CO 0.13 0.17 0.23 0.24 0.02 0.00 0.00 177.57 178.36 1yaj h MET 497 N 0.95 0.46 -0.22 1.57 2.07 -0.95 0.93 114.93 119.74 1yaj h MET 497 Ca 0.47 -0.03 0.02 0.00 -2.07 0.00 0.00 59.70 58.09 1yaj h MET 497 Cb 0.43 -0.10 -0.02 0.00 -1.87 0.00 0.00 31.60 30.03 1yaj h MET 497 CO -0.25 0.31 0.08 -0.22 1.07 0.00 0.00 176.91 177.90 1yaj h LYS 498 N 0.48 0.19 0.31 1.72 3.64 -0.35 0.58 116.57 123.14 1yaj h LYS 498 Ca 0.14 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1yaj h LYS 498 Cb -0.03 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1yaj h LYS 498 CO -0.05 0.12 -0.35 0.74 -2.27 0.00 0.00 179.45 177.65 1yaj h PHE 499 N 0.19 -0.94 -0.16 1.91 0.05 0.49 0.53 116.94 119.01 1yaj h PHE 499 Ca 0.09 0.01 0.05 0.00 3.82 0.00 0.00 57.97 61.94 1yaj h PHE 499 Cb 0.05 0.37 -0.05 0.00 2.00 0.00 0.00 35.95 38.32 1yaj h PHE 499 CO -0.11 -0.48 -0.15 -1.49 -0.18 0.00 0.00 178.31 175.90 1yaj h TRP 500 N -0.70 -0.37 0.05 -0.55 -0.00 0.14 -1.50 115.95 113.01 1yaj h TRP 500 Ca -0.01 0.02 0.02 0.00 -0.00 0.00 0.00 58.89 58.92 1yaj h TRP 500 Cb 0.64 0.19 -0.03 0.00 -0.00 0.00 0.00 29.16 29.97 1yaj h TRP 500 CO -0.22 -0.22 -0.16 0.00 -0.00 0.00 0.00 178.44 177.85 1yaj h ALA 501 N 0.92 -0.23 -0.75 1.49 0.00 0.49 -0.94 119.26 120.24 1yaj h ALA 501 Ca 0.10 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.16 1yaj h ALA 501 Cb 0.32 0.26 -0.10 0.00 0.00 0.00 0.00 17.79 18.27 1yaj h ALA 501 CO -0.26 -0.67 0.26 -0.91 0.00 0.00 0.00 179.25 177.67 1yaj h ASN 502 N -0.29 0.20 -0.22 0.00 2.35 0.37 0.11 115.58 118.10 1yaj h ASN 502 Ca 0.04 0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1yaj h ASN 502 Cb 0.33 0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 1yaj h ASN 502 CO -0.12 0.05 0.14 0.15 -1.65 0.00 0.00 177.43 176.01 1yaj h PHE 503 N 0.38 0.28 0.00 1.19 3.57 -0.78 -0.19 116.94 121.40 1yaj h PHE 503 Ca 0.42 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.93 1yaj h PHE 503 Cb 0.68 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.32 1yaj h PHE 503 CO -0.19 0.19 0.00 0.00 -2.23 0.00 0.00 178.31 176.08 1yaj n ALA 504 N -2.16 1.56 -0.09 2.41 0.00 0.23 -0.03 120.51 122.44 1yaj n ALA 504 Ca -0.03 -0.03 -0.17 0.00 0.00 0.00 0.00 53.44 53.21 1yaj n ALA 504 Cb 0.03 -1.10 -0.06 0.00 0.00 0.00 0.00 19.45 18.32 1yaj n ALA 504 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1yaj n ARG 505 N -1.19 0.43 -0.00 0.00 1.74 -0.18 -4.79 116.66 112.67 1yaj n ARG 505 Ca 0.04 0.18 0.02 0.00 -0.77 0.00 0.00 57.85 57.32 1yaj n ARG 505 Cb 0.04 -1.23 -0.03 0.00 -1.02 0.00 0.00 32.46 30.21 1yaj n ARG 505 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1yaj n ASN 506 N -4.04 2.67 0.00 0.55 3.02 -0.62 -5.00 115.26 111.84 1yaj n ASN 506 Ca -0.31 -0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 1yaj n ASN 506 Cb 0.66 1.14 0.00 0.00 -0.61 0.00 0.00 39.78 40.97 1yaj n ASN 506 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yaj n GLY 507 N 1.85 0.98 3.14 7.41 0.00 0.96 -5.04 105.19 114.50 1yaj n GLY 507 Ca -0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 46.02 45.45 1yaj n GLY 507 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1yaj s ASN 508 N -2.61 -0.72 0.54 1.61 3.84 -1.26 -4.95 114.94 111.40 1yaj s ASN 508 Ca 0.00 0.76 0.36 0.00 0.21 0.00 0.00 52.86 54.19 1yaj s ASN 508 Cb 0.00 1.76 1.78 0.00 -0.55 0.00 0.00 41.25 44.24 1yaj s ASN 508 CO 0.00 -0.27 2.08 1.55 -2.79 0.00 0.00 177.10 177.68 1yaj h PRO 509 N 8.08 0.00 -6.95 0.43 0.13 -1.79 -3.31 132.00 128.57 1yaj h PRO 509 Ca -0.21 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.36 1yaj h PRO 509 Cb 1.15 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.42 1yaj h PRO 509 CO 0.23 0.00 0.47 0.09 -0.23 0.00 0.00 178.00 178.56 1yaj n ASN 510 N -2.86 2.19 -3.84 1.44 3.02 -1.26 -4.52 115.26 109.43 1yaj n ASN 510 Ca -0.01 0.96 0.03 0.00 -0.03 0.00 0.00 54.58 55.52 1yaj n ASN 510 Cb 0.15 -1.52 0.01 0.00 -0.61 0.00 0.00 39.78 37.81 1yaj n ASN 510 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1yaj s GLY 511 N -0.94 -0.15 0.07 7.41 0.00 -1.26 -4.99 107.32 107.46 1yaj s GLY 511 Ca 0.71 0.08 -0.30 0.00 0.00 0.00 0.00 44.72 45.21 1yaj s GLY 511 CO 0.50 5.54 1.06 1.85 0.00 0.00 0.00 173.10 182.05 1yaj s GLU 512 N -2.04 4.55 0.00 2.90 2.12 -1.26 -3.28 118.70 121.70 1yaj s GLU 512 Ca 0.29 1.57 0.00 0.00 0.36 0.00 0.00 54.97 57.20 1yaj s GLU 512 Cb -0.00 -3.38 0.00 0.00 0.26 0.00 0.00 34.13 31.01 1yaj s GLU 512 CO -0.01 -0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.08 1yaj n GLY 513 N 2.73 0.75 3.10 -1.50 0.00 -1.26 -5.05 105.19 103.96 1yaj n GLY 513 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 1yaj n GLY 513 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yaj s LEU 514 N 0.00 2.04 1.05 0.99 1.43 -1.20 -5.07 118.68 117.91 1yaj s LEU 514 Ca 0.00 -0.26 -0.14 0.00 -1.03 0.00 0.00 54.13 52.71 1yaj s LEU 514 Cb 0.00 -0.69 0.15 0.00 0.03 0.00 0.00 46.19 45.68 1yaj s LEU 514 CO 0.00 0.16 0.62 -2.65 0.23 0.00 0.00 176.35 174.70 1yaj n PRO 515 N 2.69 -1.26 -2.84 1.29 -0.02 -1.26 -4.68 135.00 128.92 1yaj n PRO 515 Ca -0.14 -0.33 -0.41 0.00 -2.02 0.00 0.00 63.50 60.59 1yaj n PRO 515 Cb 0.55 -2.01 -0.04 0.00 -0.02 0.00 0.00 33.50 31.99 1yaj n PRO 515 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1yaj s HIS 516 N -2.41 3.60 -0.39 6.00 2.46 -1.26 -4.76 115.29 118.53 1yaj s HIS 516 Ca 0.62 1.49 -0.11 0.00 0.47 0.00 0.00 55.06 57.53 1yaj s HIS 516 Cb -0.20 -3.00 0.04 0.00 -0.13 0.00 0.00 32.58 29.29 1yaj s HIS 516 CO 0.65 -0.01 0.23 -0.46 -2.47 0.00 0.00 174.74 172.67 1yaj s TRP 517 N 1.12 3.26 0.20 3.88 -0.11 -1.26 -4.41 118.94 121.62 1yaj s TRP 517 Ca 0.45 -1.09 -0.31 0.00 1.22 0.00 0.00 56.10 56.38 1yaj s TRP 517 Cb -0.19 -2.60 -0.10 0.00 -1.50 0.00 0.00 33.47 29.07 1yaj s TRP 517 CO 0.22 -0.71 1.51 -1.25 -4.62 0.00 0.00 176.95 172.10 1yaj s PRO 518 N 1.53 4.24 -0.21 5.86 0.04 -1.26 -4.86 135.00 140.34 1yaj s PRO 518 Ca 0.02 2.33 -0.29 0.00 0.04 0.00 0.00 61.00 63.10 1yaj s PRO 518 Cb -0.20 -3.13 -0.02 0.00 0.04 0.00 0.00 34.50 31.18 1yaj s PRO 518 CO 0.06 -0.52 1.56 -2.00 0.04 0.00 0.00 177.00 176.13 1yaj s GLU 519 N 0.42 3.87 -0.78 4.56 2.12 -1.26 -4.46 118.70 123.17 1yaj s GLU 519 Ca 0.65 1.66 -0.24 0.00 0.36 0.00 0.00 54.97 57.40 1yaj s GLU 519 Cb -0.43 -3.99 -0.16 0.00 0.26 0.00 0.00 34.13 29.81 1yaj s GLU 519 CO 0.37 -1.19 2.39 0.98 -0.54 0.00 0.00 175.26 177.27 1yaj n TYR 520 N 8.10 1.01 -1.43 5.30 9.36 -0.71 -4.49 117.16 134.30 1yaj n TYR 520 Ca 0.18 0.02 0.00 0.00 3.32 0.00 0.00 57.90 61.42 1yaj n TYR 520 Cb 0.45 -2.31 0.00 0.00 -0.63 0.00 0.00 39.34 36.85 1yaj n TYR 520 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1yaj n ASN 521 N 16.13 0.00 -0.36 2.98 0.23 -1.26 -4.54 115.26 128.44 1yaj n ASN 521 Ca 0.49 0.00 0.09 0.00 -0.53 0.00 0.00 54.58 54.63 1yaj n ASN 521 Cb 0.39 0.00 0.26 0.00 -2.08 0.00 0.00 39.78 38.36 1yaj n ASN 521 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 1yaj h GLN 522 N 0.00 0.88 0.00 -3.83 -0.00 -2.00 0.14 115.11 110.30 1yaj h GLN 522 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.60 1yaj h GLN 522 Cb 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 27.48 27.28 1yaj h GLN 522 CO 0.00 0.59 0.00 0.87 -0.00 0.00 0.00 178.83 180.29 1yaj h LYS 523 N 0.91 0.00 -5.93 0.06 6.56 -1.94 -3.47 116.57 112.76 1yaj h LYS 523 Ca 0.52 0.00 -0.38 0.00 -1.06 0.00 0.00 60.65 59.73 1yaj h LYS 523 Cb 0.62 0.00 0.10 0.00 -0.57 0.00 0.00 32.23 32.38 1yaj h LYS 523 CO -0.31 0.00 -0.82 0.39 -2.06 0.00 0.00 179.45 176.65 1yaj n GLU 524 N -2.50 -5.11 -3.18 3.15 1.02 0.49 -4.28 120.64 110.23 1yaj n GLU 524 Ca 0.01 0.69 -0.39 0.00 -0.02 0.00 0.00 57.16 57.46 1yaj n GLU 524 Cb 0.23 -5.37 -0.05 0.00 -0.02 0.00 0.00 31.44 26.22 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 -4.27 2.59 0.40 0.62 0.00 -1.26 -0.73 107.32 104.66 1yaj s GLY 525 Ca 0.05 0.03 0.03 0.00 0.00 0.00 0.00 44.72 44.83 1yaj s GLY 525 CO 0.79 0.86 0.09 -2.52 0.00 0.00 0.00 173.10 172.32 1yaj s TYR 526 N 0.15 1.85 -0.16 1.90 -0.85 -0.43 -3.23 117.35 116.58 1yaj s TYR 526 Ca 0.32 -1.16 -0.03 0.00 -0.52 0.00 0.00 57.07 55.69 1yaj s TYR 526 Cb -0.18 -1.25 -0.02 0.00 0.38 0.00 0.00 41.96 40.89 1yaj s TYR 526 CO 0.17 -0.15 -0.07 -1.17 -1.52 0.00 0.00 175.55 172.81 1yaj s LEU 527 N -3.61 3.02 -0.60 -3.49 2.96 -0.32 -1.48 118.68 115.16 1yaj s LEU 527 Ca 0.25 -0.24 -0.18 0.00 -0.22 0.00 0.00 54.13 53.74 1yaj s LEU 527 Cb 0.04 -1.72 0.11 0.00 0.50 0.00 0.00 46.19 45.12 1yaj s LEU 527 CO 0.13 0.13 0.68 -1.10 -1.32 0.00 0.00 176.35 174.87 1yaj s GLN 528 N 0.57 3.07 -0.07 1.98 -0.21 -0.12 -0.39 119.66 124.48 1yaj s GLN 528 Ca -0.05 -1.46 -0.23 0.00 0.02 0.00 0.00 55.36 53.64 1yaj s GLN 528 Cb -0.15 -4.30 -0.04 0.00 1.00 0.00 0.00 33.01 29.53 1yaj s GLN 528 CO 0.03 -1.50 0.67 0.42 -2.12 0.00 0.00 175.29 172.80 1yaj s ILE 529 N 2.36 5.06 -0.89 1.08 1.01 -1.07 -2.34 121.20 126.41 1yaj s ILE 529 Ca 0.10 1.38 0.00 0.00 0.00 0.00 0.00 60.65 62.14 1yaj s ILE 529 Cb -0.24 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 38.21 1yaj s ILE 529 CO 0.04 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.86 1yaj n GLY 530 N 3.12 -0.77 0.47 6.18 0.00 -1.26 0.76 105.19 113.69 1yaj n GLY 530 Ca -0.02 -0.28 -0.16 0.00 0.00 0.00 0.00 46.02 45.57 1yaj n GLY 530 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj h ALA 531 N 0.00 -0.93 -3.13 4.61 0.00 -1.93 -3.32 119.26 114.56 1yaj h ALA 531 Ca 0.00 -0.09 -0.70 0.00 0.00 0.00 0.00 54.91 54.12 1yaj h ALA 531 Cb 0.00 0.91 -0.33 0.00 0.00 0.00 0.00 17.79 18.37 1yaj h ALA 531 CO 0.00 -1.10 -0.56 1.21 0.00 0.00 0.00 179.25 178.80 1yaj s ASN 532 N -4.73 5.27 0.02 0.00 2.47 -1.26 -5.07 114.94 111.64 1yaj s ASN 532 Ca -0.16 -1.80 -0.30 0.00 0.42 0.00 0.00 52.86 51.02 1yaj s ASN 532 Cb 0.07 -1.84 -0.05 0.00 -1.45 0.00 0.00 41.25 37.98 1yaj s ASN 532 CO 0.61 -0.50 1.16 -0.89 -3.72 0.00 0.00 177.10 173.77 1yaj s THR 533 N 1.22 4.24 -0.03 -5.21 2.01 -1.25 -4.82 115.64 111.79 1yaj s THR 533 Ca 0.05 1.60 -0.29 0.00 0.31 0.00 0.00 61.69 63.36 1yaj s THR 533 Cb -0.22 -4.02 0.10 0.00 0.01 0.00 0.00 72.50 68.36 1yaj s THR 533 CO -0.02 0.10 0.87 0.00 -0.69 0.00 0.00 174.62 174.87 1yaj s GLN 534 N 1.31 0.83 1.00 4.92 -2.07 -0.99 -4.95 119.66 119.71 1yaj s GLN 534 Ca 0.57 -0.16 -0.14 0.00 -1.82 0.00 0.00 55.36 53.82 1yaj s GLN 534 Cb -0.27 0.38 0.19 0.00 -1.09 0.00 0.00 33.01 32.22 1yaj s GLN 534 CO 0.27 -0.33 1.13 0.00 -1.32 0.00 0.00 175.29 175.04 1yaj s ALA 535 N -2.51 1.30 0.11 2.60 0.00 -1.26 -0.94 121.76 121.05 1yaj s ALA 535 Ca 0.02 -0.59 -0.11 0.00 0.00 0.00 0.00 51.96 51.27 1yaj s ALA 535 Cb -0.01 -3.02 0.04 0.00 0.00 0.00 0.00 23.12 20.13 1yaj s ALA 535 CO -0.05 -2.72 0.55 0.00 0.00 0.00 0.00 175.76 173.54 1yaj n ALA 536 N -4.09 -1.43 -2.25 0.00 0.00 -0.55 -4.75 120.51 107.44 1yaj n ALA 536 Ca 0.08 -0.57 -0.09 0.00 0.00 0.00 0.00 53.44 52.85 1yaj n ALA 536 Cb 0.59 0.33 -0.09 0.00 0.00 0.00 0.00 19.45 20.27 1yaj n ALA 536 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1yaj s GLN 537 N -2.03 0.90 -0.24 0.00 -0.21 -1.26 -1.32 119.66 115.51 1yaj s GLN 537 Ca 0.12 -1.33 -0.13 0.00 0.02 0.00 0.00 55.36 54.04 1yaj s GLN 537 Cb -0.02 0.26 0.02 0.00 1.00 0.00 0.00 33.01 34.28 1yaj s GLN 537 CO 0.03 -0.26 0.26 1.63 -2.12 0.00 0.00 175.29 174.83 1yaj n LYS 538 N -0.07 -1.60 -3.12 2.91 5.02 0.09 -4.90 118.16 116.48 1yaj n LYS 538 Ca -0.08 1.50 -0.41 0.00 -2.02 0.00 0.00 58.31 57.30 1yaj n LYS 538 Cb 0.63 -2.69 -0.07 0.00 -0.02 0.00 0.00 35.03 32.89 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 -1.72 4.20 0.00 -0.35 2.96 -1.26 -4.09 118.68 118.42 1yaj s LEU 539 Ca 0.14 0.29 0.00 0.00 -0.22 0.00 0.00 54.13 54.34 1yaj s LEU 539 Cb -0.02 -2.79 0.00 0.00 0.50 0.00 0.00 46.19 43.88 1yaj s LEU 539 CO 0.49 -0.52 0.00 0.29 -1.32 0.00 0.00 176.35 175.29 1yaj n LYS 540 N 5.93 -1.30 -0.36 1.98 4.76 -1.26 -4.84 118.16 123.06 1yaj n LYS 540 Ca -0.01 0.33 0.01 0.00 -2.87 0.00 0.00 58.31 55.76 1yaj n LYS 540 Cb 0.49 -4.78 0.07 0.00 -1.84 0.00 0.00 35.03 28.97 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 -1.26 -0.22 4.39 1.82 -1.95 0.47 116.42 119.67 1yaj h ASP 541 Ca 0.00 0.30 0.06 0.00 -0.39 0.00 0.00 57.03 57.00 1yaj h ASP 541 Cb 0.65 0.70 -0.06 0.00 0.68 0.00 0.00 39.33 41.30 1yaj h ASP 541 CO 0.00 -0.30 -0.16 0.50 -1.61 0.00 0.00 179.24 177.67 1yaj h LYS 542 N -0.01 -0.15 0.02 0.28 3.64 -1.89 -2.06 116.57 116.40 1yaj h LYS 542 Ca 0.38 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1yaj h LYS 542 Cb 0.63 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1yaj h LYS 542 CO -0.98 -0.10 -0.02 0.93 -2.27 0.00 0.00 179.45 177.00 1yaj h GLU 543 N -0.16 -0.05 -0.76 1.90 3.07 -0.60 -2.45 114.58 115.53 1yaj h GLU 543 Ca 0.13 0.00 0.17 0.00 -0.50 0.00 0.00 59.36 59.16 1yaj h GLU 543 Cb 0.35 0.01 -0.13 0.00 -0.84 0.00 0.00 28.75 28.14 1yaj h GLU 543 CO -0.32 -0.03 0.03 0.28 -1.40 0.00 0.00 179.01 177.57 1yaj h VAL 544 N -0.05 0.36 -0.24 3.13 2.07 -0.28 0.07 116.25 121.31 1yaj h VAL 544 Ca 0.00 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.53 1yaj h VAL 544 Cb 0.05 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.00 1yaj h VAL 544 CO -0.01 0.02 -0.06 0.00 0.02 0.00 0.00 177.57 177.54 1yaj h ALA 545 N 1.70 0.16 -0.47 1.67 0.00 -0.93 0.27 119.26 121.65 1yaj h ALA 545 Ca 0.42 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.41 1yaj h ALA 545 Cb 0.74 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1yaj h ALA 545 CO -0.65 -0.47 0.23 0.35 0.00 0.00 0.00 179.25 178.71 1yaj h PHE 546 N -0.00 0.64 0.20 0.00 3.57 -0.67 -2.96 116.94 117.72 1yaj h PHE 546 Ca 0.11 -0.01 -0.34 0.00 3.53 0.00 0.00 57.97 61.26 1yaj h PHE 546 Cb 0.18 -0.21 0.02 0.00 2.79 0.00 0.00 35.95 38.72 1yaj h PHE 546 CO -0.24 0.47 -1.66 -1.49 -2.23 0.00 0.00 178.31 173.16 1yaj h TRP 547 N 0.66 0.77 0.00 0.41 4.06 -0.76 -2.74 115.95 118.35 1yaj h TRP 547 Ca 0.17 -0.56 0.00 0.00 2.06 0.00 0.00 58.89 60.56 1yaj h TRP 547 Cb 0.06 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.19 1yaj h TRP 547 CO 0.00 1.62 0.09 1.15 -3.56 0.00 0.00 178.44 177.74 1yaj h THR 548 N 0.12 0.00 0.00 1.49 2.02 -0.37 0.31 112.91 116.47 1yaj h THR 548 Ca -0.31 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1yaj h THR 548 Cb 2.11 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.20 1yaj h THR 548 CO 0.20 0.00 -0.61 0.59 0.37 0.00 0.00 175.52 176.08 1yaj n ASN 549 N -2.63 1.53 -0.07 4.18 4.13 -1.13 -3.70 115.26 117.57 1yaj n ASN 549 Ca -0.02 0.43 0.24 0.00 1.68 0.00 0.00 54.58 56.90 1yaj n ASN 549 Cb 0.13 -0.75 0.71 0.00 -1.54 0.00 0.00 39.78 38.32 1yaj n ASN 549 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1yaj h LEU 550 N -0.82 0.00 -0.32 3.41 5.85 -1.37 0.26 115.31 122.32 1yaj h LEU 550 Ca 0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 1yaj h LEU 550 Cb 0.61 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1yaj h LEU 550 CO 0.00 0.00 -0.41 -0.26 -0.34 0.00 0.00 178.44 177.43 1yaj h PHE 551 N 0.00 0.00 -0.28 1.25 -1.00 -1.14 -2.78 116.94 112.99 1yaj h PHE 551 Ca 0.32 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.09 1yaj h PHE 551 Cb 1.31 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.86 1yaj h PHE 551 CO 0.00 0.41 0.02 0.00 -1.61 0.00 0.00 178.31 177.13 1yaj n ALA 552 N -2.23 3.20 -0.41 2.45 0.00 0.90 -5.08 120.51 119.34 1yaj n ALA 552 Ca 0.01 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.53 1yaj n ALA 552 Cb 0.64 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 19.02 1yaj n ALA 552 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13