#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 3.12 -4.26 4.04 7.64 -1.26 -4.90 113.62 118.00 1yaj n SER 22 Ca 0.00 0.30 -0.34 0.00 1.01 0.00 0.00 58.87 59.84 1yaj n SER 22 Cb 0.00 -1.50 0.09 0.00 -1.01 0.00 0.00 64.21 61.79 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 8.53 -0.22 -3.06 1.43 -0.02 -1.26 -4.90 135.00 135.50 1yaj n PRO 23 Ca 0.31 -0.04 -0.34 0.00 -2.02 0.00 0.00 63.50 61.42 1yaj n PRO 23 Cb 0.40 -1.54 -0.06 0.00 -0.02 0.00 0.00 33.50 32.28 1yaj n PRO 23 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1yaj s PRO 24 N -3.03 4.14 -0.19 0.52 0.02 -1.13 -4.91 135.00 130.42 1yaj s PRO 24 Ca 0.50 0.84 -0.05 0.00 0.02 0.00 0.00 61.00 62.31 1yaj s PRO 24 Cb -0.19 -2.54 0.07 0.00 0.02 0.00 0.00 34.50 31.86 1yaj s PRO 24 CO 0.73 0.20 0.09 0.08 -0.33 0.00 0.00 177.00 177.77 1yaj s VAL 25 N -1.87 0.01 -0.06 3.83 1.01 -1.26 -2.15 120.40 119.91 1yaj s VAL 25 Ca 0.52 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 62.22 1yaj s VAL 25 Cb -0.12 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 1yaj s VAL 25 CO 0.18 -0.33 -0.10 -0.69 0.00 0.00 0.00 175.10 174.16 1yaj s VAL 26 N 2.09 3.44 -0.00 2.92 1.01 -0.77 -4.95 120.40 124.14 1yaj s VAL 26 Ca 0.03 -0.59 -0.21 0.00 0.00 0.00 0.00 61.98 61.21 1yaj s VAL 26 Cb -0.16 -2.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 1yaj s VAL 26 CO -0.12 0.59 0.61 -1.81 0.00 0.00 0.00 175.10 174.37 1yaj s ASP 27 N -0.80 7.00 0.20 3.32 1.01 -1.26 -0.82 116.67 125.31 1yaj s ASP 27 Ca 0.12 1.19 0.07 0.00 0.71 0.00 0.00 52.55 54.64 1yaj s ASP 27 Cb -0.11 -2.38 -0.05 0.00 1.01 0.00 0.00 42.92 41.40 1yaj s ASP 27 CO 0.01 0.09 -0.14 0.42 0.21 0.00 0.00 175.17 175.76 1yaj s THR 28 N -0.14 1.66 0.31 -1.27 -4.23 -0.04 -4.82 115.64 107.12 1yaj s THR 28 Ca 0.32 -2.19 0.07 0.00 -1.18 0.00 0.00 61.69 58.71 1yaj s THR 28 Cb -0.18 -2.01 0.30 0.00 1.34 0.00 0.00 72.50 71.94 1yaj s THR 28 CO 0.18 -0.61 1.72 0.58 -0.54 0.00 0.00 174.62 175.94 1yaj h VAL 29 N 2.60 0.52 0.00 2.29 2.07 -1.96 0.20 116.25 121.97 1yaj h VAL 29 Ca -0.38 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1yaj h VAL 29 Cb 1.22 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1yaj h VAL 29 CO 0.62 0.10 -0.61 1.41 0.02 0.00 0.00 177.57 179.11 1yaj n HIS 30 N -4.94 0.12 0.00 1.57 8.25 -1.26 -5.02 115.22 113.94 1yaj n HIS 30 Ca 0.25 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.75 1yaj n HIS 30 Cb 0.71 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 31.49 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 1.46 1.42 3.72 -1.41 0.00 0.71 -1.02 105.19 110.08 1yaj n GLY 31 Ca 0.05 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 1yaj n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yaj s LYS 32 N -1.81 4.56 0.01 1.61 1.02 -1.26 -0.86 119.74 123.00 1yaj s LYS 32 Ca 0.00 1.62 0.07 0.00 0.02 0.00 0.00 55.97 57.68 1yaj s LYS 32 Cb 0.00 -3.36 -0.03 0.00 -0.52 0.00 0.00 37.83 33.93 1yaj s LYS 32 CO 0.00 -0.03 -0.21 0.08 -0.92 0.00 0.00 175.35 174.27 1yaj s VAL 33 N 0.47 2.50 -0.13 3.17 1.01 -0.00 0.20 120.40 127.62 1yaj s VAL 33 Ca 0.52 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1yaj s VAL 33 Cb -0.26 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 1yaj s VAL 33 CO 0.31 0.46 -0.14 -0.22 0.00 0.00 0.00 175.10 175.51 1yaj s LEU 34 N -1.02 2.66 0.00 3.92 1.98 0.98 -1.85 118.68 125.35 1yaj s LEU 34 Ca 0.12 -0.35 0.03 0.00 -2.89 0.00 0.00 54.13 51.03 1yaj s LEU 34 Cb -0.10 -1.60 -0.01 0.00 0.66 0.00 0.00 46.19 45.14 1yaj s LEU 34 CO 0.02 0.16 0.10 0.61 -1.89 0.00 0.00 176.35 175.34 1yaj n GLY 35 N 3.58 3.58 3.39 7.98 0.00 -0.91 0.11 105.19 122.91 1yaj n GLY 35 Ca -0.18 -1.99 -0.30 0.00 0.00 0.00 0.00 46.02 43.55 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 -2.86 1.64 0.09 1.61 -2.85 -1.10 -2.86 119.74 113.41 1yaj s LYS 36 Ca 0.14 -1.22 -0.25 0.00 -1.00 0.00 0.00 55.97 53.64 1yaj s LYS 36 Cb 0.01 -1.98 -0.06 0.00 -2.06 0.00 0.00 37.83 33.74 1yaj s LYS 36 CO 0.10 0.48 0.76 -0.06 0.10 0.00 0.00 175.35 176.72 1yaj s PHE 37 N -0.97 3.80 -0.09 1.78 2.99 -1.26 -2.06 117.98 122.17 1yaj s PHE 37 Ca 0.14 1.52 -0.01 0.00 0.00 0.00 0.00 56.93 58.57 1yaj s PHE 37 Cb -0.10 -2.78 0.03 0.00 0.00 0.00 0.00 43.02 40.17 1yaj s PHE 37 CO 0.05 0.38 -0.00 0.08 -0.00 0.00 0.00 175.22 175.73 1yaj s VAL 38 N -0.51 0.47 0.13 -0.44 1.01 -0.89 -4.96 120.40 115.21 1yaj s VAL 38 Ca 0.37 -0.01 -0.11 0.00 0.00 0.00 0.00 61.98 62.23 1yaj s VAL 38 Cb -0.21 -0.65 -0.06 0.00 0.00 0.00 0.00 36.38 35.45 1yaj s VAL 38 CO 0.24 0.21 0.48 -0.44 0.00 0.00 0.00 175.10 175.59 1yaj s SER 39 N 1.93 6.70 0.15 3.32 0.01 -1.26 -0.19 113.70 124.37 1yaj s SER 39 Ca 0.04 0.91 0.09 0.00 1.31 0.00 0.00 55.95 58.31 1yaj s SER 39 Cb -0.13 -2.22 -0.04 0.00 0.21 0.00 0.00 66.02 63.84 1yaj s SER 39 CO -0.06 0.10 -0.14 -0.22 0.41 0.00 0.00 173.24 173.33 1yaj s LEU 40 N -2.11 2.83 0.05 2.44 2.96 -1.26 -4.96 118.68 118.62 1yaj s LEU 40 Ca 0.38 -0.59 -0.30 0.00 -0.22 0.00 0.00 54.13 53.40 1yaj s LEU 40 Cb -0.14 -1.58 -0.09 0.00 0.50 0.00 0.00 46.19 44.88 1yaj s LEU 40 CO 0.19 0.14 1.87 -1.61 -1.32 0.00 0.00 176.35 175.62 1yaj s GLU 41 N -2.52 4.15 0.00 1.98 8.01 -1.26 -2.10 118.70 126.96 1yaj s GLU 41 Ca 0.22 2.53 0.00 0.00 0.01 0.00 0.00 54.97 57.73 1yaj s GLU 41 Cb -0.09 -3.95 0.00 0.00 -4.31 0.00 0.00 34.13 25.78 1yaj s GLU 41 CO 0.13 -0.89 0.00 0.41 0.01 0.00 0.00 175.26 174.91 1yaj n GLY 42 N 4.37 0.70 2.95 -1.39 0.00 -1.26 -5.06 105.19 105.49 1yaj n GLY 42 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.27 1.05 0.00 1.61 0.40 -0.89 -5.07 117.98 112.80 1yaj s PHE 43 Ca 0.00 -0.35 0.00 0.00 -0.60 0.00 0.00 56.93 55.98 1yaj s PHE 43 Cb 0.00 -0.84 0.00 0.00 0.51 0.00 0.00 43.02 42.69 1yaj s PHE 43 CO 0.00 -0.23 0.35 0.00 0.70 0.00 0.00 175.22 176.04 1yaj n ALA 44 N 3.96 -0.11 -1.46 5.36 0.00 -1.26 -4.38 120.51 122.61 1yaj n ALA 44 Ca -0.24 0.00 -0.50 0.00 0.00 0.00 0.00 53.44 52.70 1yaj n ALA 44 Cb 0.51 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.89 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 -1.21 1.14 -0.63 0.00 -0.06 -1.26 -4.87 117.38 110.48 1yaj n GLN 45 Ca 0.00 0.30 -0.30 0.00 -2.00 0.00 0.00 57.00 55.00 1yaj n GLN 45 Cb 0.00 -2.54 0.26 0.00 -4.06 0.00 0.00 30.24 23.91 1yaj n GLN 45 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1yaj s PRO 46 N 6.31 -1.90 -0.16 3.69 0.04 -1.26 -4.85 135.00 136.86 1yaj s PRO 46 Ca 1.09 0.25 -0.01 0.00 0.04 0.00 0.00 61.00 62.37 1yaj s PRO 46 Cb -0.80 -1.49 -0.01 0.00 0.04 0.00 0.00 34.50 32.24 1yaj s PRO 46 CO 0.47 -4.23 -0.10 0.08 0.04 0.00 0.00 177.00 173.26 1yaj s VAL 47 N -2.54 3.16 -0.09 -0.36 1.01 0.74 -4.73 120.40 117.59 1yaj s VAL 47 Ca 0.69 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.77 1yaj s VAL 47 Cb -0.15 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 1yaj s VAL 47 CO 0.59 0.50 1.24 0.00 0.00 0.00 0.00 175.10 177.43 1yaj s ALA 48 N 0.68 3.56 -0.27 5.51 0.00 0.69 -2.08 121.76 129.85 1yaj s ALA 48 Ca -0.05 0.59 0.02 0.00 0.00 0.00 0.00 51.96 52.52 1yaj s ALA 48 Cb -0.15 -3.56 0.06 0.00 0.00 0.00 0.00 23.12 19.47 1yaj s ALA 48 CO 0.02 -0.92 -0.09 0.42 0.00 0.00 0.00 175.76 175.20 1yaj s ILE 49 N 2.67 2.28 -0.27 0.00 1.01 -0.87 -1.68 121.20 124.33 1yaj s ILE 49 Ca 0.56 -1.64 -0.07 0.00 0.00 0.00 0.00 60.65 59.50 1yaj s ILE 49 Cb -0.24 -2.35 -0.01 0.00 0.01 0.00 0.00 42.46 39.86 1yaj s ILE 49 CO 0.20 -0.07 0.07 -0.36 0.00 0.00 0.00 174.94 174.79 1yaj s PHE 50 N 1.11 3.11 -0.27 3.97 0.40 -0.89 -2.72 117.98 122.69 1yaj s PHE 50 Ca -0.08 -0.67 -0.07 0.00 -0.60 0.00 0.00 56.93 55.51 1yaj s PHE 50 Cb -0.20 -2.25 -0.01 0.00 0.51 0.00 0.00 43.02 41.07 1yaj s PHE 50 CO -0.05 -0.46 0.08 -0.51 0.70 0.00 0.00 175.22 174.98 1yaj s LEU 51 N 1.57 3.63 0.00 -0.37 1.43 -1.03 -0.65 118.68 123.26 1yaj s LEU 51 Ca 0.05 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 1yaj s LEU 51 Cb -0.16 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.14 1yaj s LEU 51 CO 0.03 -0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.12 1yaj n GLY 52 N 4.91 0.89 3.67 -3.19 0.00 -1.17 -3.73 105.19 106.57 1yaj n GLY 52 Ca -0.15 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 1yaj n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yaj s ILE 53 N -2.56 4.83 0.24 -0.61 1.01 -0.69 -4.82 121.20 118.61 1yaj s ILE 53 Ca 0.00 1.74 -0.30 0.00 0.00 0.00 0.00 60.65 62.09 1yaj s ILE 53 Cb 0.00 -4.18 -0.09 0.00 0.01 0.00 0.00 42.46 38.19 1yaj s ILE 53 CO 0.00 -0.03 1.35 -2.16 0.00 0.00 0.00 174.94 174.10 1yaj s PRO 54 N 2.42 4.35 0.00 2.79 0.04 -1.26 -2.61 135.00 140.72 1yaj s PRO 54 Ca 0.40 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.60 1yaj s PRO 54 Cb -0.16 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1yaj s PRO 54 CO 0.11 -0.29 0.68 1.97 0.04 0.00 0.00 177.00 179.52 1yaj n PHE 55 N 2.17 0.00 -3.54 0.56 1.16 -1.15 -4.97 117.46 111.69 1yaj n PHE 55 Ca 0.05 -0.23 -0.15 0.00 -1.87 0.00 0.00 57.45 55.25 1yaj n PHE 55 Cb 0.42 -0.02 -0.06 0.00 -1.61 0.00 0.00 39.48 38.21 1yaj n PHE 55 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1yaj s ALA 56 N -0.47 -1.84 0.44 1.98 0.00 -1.26 -4.64 121.76 115.98 1yaj s ALA 56 Ca 0.00 1.43 -0.24 0.00 0.00 0.00 0.00 51.96 53.15 1yaj s ALA 56 Cb 0.00 -0.29 -0.08 0.00 0.00 0.00 0.00 23.12 22.75 1yaj s ALA 56 CO 0.00 -0.35 1.23 0.21 0.00 0.00 0.00 175.76 176.85 1yaj s LYS 57 N -1.16 3.84 -0.18 0.00 2.20 0.16 -4.66 119.74 119.94 1yaj s LYS 57 Ca -0.07 1.95 -0.35 0.00 -0.36 0.00 0.00 55.97 57.14 1yaj s LYS 57 Cb -0.00 -2.57 -0.12 0.00 -1.51 0.00 0.00 37.83 33.63 1yaj s LYS 57 CO 0.06 -0.53 1.94 -2.30 -0.36 0.00 0.00 175.35 174.16 1yaj n PRO 58 N -0.20 1.81 -1.28 4.03 -0.02 -1.26 -4.69 135.00 133.39 1yaj n PRO 58 Ca 0.06 0.63 -0.40 0.00 -2.02 0.00 0.00 63.50 61.76 1yaj n PRO 58 Cb 0.46 -2.57 -0.03 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 6.88 2.05 -4.28 0.52 -0.04 -1.26 -4.90 135.00 133.97 1yaj n PRO 59 Ca 0.27 -2.03 -0.23 0.00 -0.04 0.00 0.00 63.50 61.46 1yaj n PRO 59 Cb 0.27 -2.97 -0.07 0.00 -0.04 0.00 0.00 33.50 30.68 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 1.30 3.13 0.00 1.53 1.43 -1.26 -4.23 118.68 120.58 1yaj s LEU 60 Ca 0.53 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 1yaj s LEU 60 Cb 0.14 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.75 1yaj s LEU 60 CO 0.03 -0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.13 1yaj n GLY 61 N -0.94 3.02 0.06 -3.19 0.00 -1.26 -1.52 105.19 101.36 1yaj n GLY 61 Ca -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 0.08 -0.13 1.61 -0.04 -1.26 -1.00 135.00 148.27 1yaj n PRO 62 Ca 0.00 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.50 1yaj n PRO 62 Cb 0.00 -1.01 0.11 0.00 -0.04 0.00 0.00 33.50 32.57 1yaj n PRO 62 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1yaj n LEU 63 N -0.38 2.65 -4.75 1.53 4.77 -0.58 -4.91 117.00 115.33 1yaj n LEU 63 Ca 0.00 -1.93 -0.40 0.00 -0.03 0.00 0.00 56.01 53.65 1yaj n LEU 63 Cb 0.00 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 40.87 1yaj n LEU 63 CO 0.00 0.66 0.52 -0.60 -1.33 0.00 0.00 177.39 176.64 1yaj s ARG 64 N -0.98 4.57 -1.04 3.23 3.52 -0.17 -3.53 118.95 124.55 1yaj s ARG 64 Ca 0.17 1.19 -0.02 0.00 -0.13 0.00 0.00 55.73 56.94 1yaj s ARG 64 Cb 0.09 -3.34 0.00 0.00 -1.56 0.00 0.00 34.95 30.14 1yaj s ARG 64 CO 0.12 0.34 0.28 1.19 -0.81 0.00 0.00 175.30 176.42 1yaj n PHE 65 N 2.48 -1.08 -4.00 5.12 3.72 -1.26 -5.02 117.46 117.42 1yaj n PHE 65 Ca -0.02 0.24 -0.09 0.00 -0.05 0.00 0.00 57.45 57.53 1yaj n PHE 65 Cb 0.49 -3.15 -0.11 0.00 -0.94 0.00 0.00 39.48 35.78 1yaj n PHE 65 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1yaj s THR 66 N -2.86 0.14 0.26 4.37 -4.23 -1.23 -4.85 115.64 107.24 1yaj s THR 66 Ca 0.14 -1.17 -0.30 0.00 -1.18 0.00 0.00 61.69 59.18 1yaj s THR 66 Cb -0.06 -0.67 -0.14 0.00 1.34 0.00 0.00 72.50 72.97 1yaj s THR 66 CO 0.17 -0.64 1.24 -2.65 -0.54 0.00 0.00 174.62 172.20 1yaj n PRO 67 N 1.11 1.73 -1.82 3.99 -0.02 -1.26 -4.91 135.00 133.83 1yaj n PRO 67 Ca -0.21 0.61 -0.40 0.00 -2.02 0.00 0.00 63.50 61.48 1yaj n PRO 67 Cb 0.57 -2.15 0.01 0.00 -0.02 0.00 0.00 33.50 31.91 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 -1.00 3.81 0.11 0.52 0.04 -1.26 -5.02 135.00 132.19 1yaj s PRO 68 Ca 0.64 2.44 0.06 0.00 0.04 0.00 0.00 61.00 64.18 1yaj s PRO 68 Cb -0.68 -2.74 -0.04 0.00 0.04 0.00 0.00 34.50 31.08 1yaj s PRO 68 CO 0.55 -0.73 -0.07 -0.65 0.04 0.00 0.00 177.00 176.15 1yaj s GLN 69 N -2.35 2.25 0.65 4.56 -0.21 -1.26 -4.98 119.66 118.33 1yaj s GLN 69 Ca 0.59 -0.98 -0.17 0.00 0.02 0.00 0.00 55.36 54.81 1yaj s GLN 69 Cb -0.44 -2.37 -0.08 0.00 1.00 0.00 0.00 33.01 31.12 1yaj s GLN 69 CO 0.57 0.51 0.38 -2.30 -2.12 0.00 0.00 175.29 172.34 1yaj n PRO 70 N 0.61 0.33 -2.92 2.91 -0.02 -1.26 0.37 135.00 135.01 1yaj n PRO 70 Ca -0.12 0.14 -0.36 0.00 -2.02 0.00 0.00 63.50 61.14 1yaj n PRO 70 Cb 0.52 -1.64 -0.06 0.00 -0.02 0.00 0.00 33.50 32.30 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 -1.85 3.26 0.20 3.55 0.00 -1.26 -3.66 121.76 121.99 1yaj s ALA 71 Ca 0.64 0.35 -0.30 0.00 0.00 0.00 0.00 51.96 52.66 1yaj s ALA 71 Cb -0.40 -3.03 -0.08 0.00 0.00 0.00 0.00 23.12 19.61 1yaj s ALA 71 CO 0.59 0.23 1.18 -1.21 0.00 0.00 0.00 175.76 176.54 1yaj s GLU 72 N -2.29 4.52 0.61 0.00 0.41 -1.26 -4.93 118.70 115.76 1yaj s GLU 72 Ca 0.50 1.86 -0.17 0.00 -0.41 0.00 0.00 54.97 56.75 1yaj s GLU 72 Cb -0.16 -3.23 -0.02 0.00 -1.78 0.00 0.00 34.13 28.94 1yaj s GLU 72 CO 0.21 -0.03 1.12 -1.25 -0.49 0.00 0.00 175.26 174.82 1yaj s PRO 73 N -0.46 3.02 0.28 0.39 0.04 -1.26 -5.06 135.00 131.94 1yaj s PRO 73 Ca 0.51 1.49 0.10 0.00 0.04 0.00 0.00 61.00 63.14 1yaj s PRO 73 Cb -0.32 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.20 1yaj s PRO 73 CO 0.38 -1.10 0.00 1.67 0.04 0.00 0.00 177.00 177.99 1yaj s TRP 74 N -2.09 2.67 0.00 0.56 -2.14 -0.19 -5.04 118.94 112.72 1yaj s TRP 74 Ca 0.70 -0.25 0.00 0.00 2.66 0.00 0.00 56.10 59.21 1yaj s TRP 74 Cb -0.22 -1.24 0.00 0.00 -3.10 0.00 0.00 33.47 28.91 1yaj s TRP 74 CO 0.35 0.60 0.00 0.43 -2.66 0.00 0.00 176.95 175.67 1yaj n SER 75 N -0.91 0.00 -3.06 -2.66 7.64 -1.26 -4.58 113.62 108.80 1yaj n SER 75 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1yaj n SER 75 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 1yaj n SER 75 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1yaj n PHE 76 N -0.10 0.00 -2.91 1.43 3.01 -1.26 -4.66 117.46 112.96 1yaj n PHE 76 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 1yaj n PHE 76 Cb 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.42 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 0.00 4.76 -0.75 -4.37 1.01 -1.26 -4.23 120.40 115.55 1yaj s VAL 77 Ca 0.00 1.23 -0.26 0.00 0.00 0.00 0.00 61.98 62.95 1yaj s VAL 77 Cb 0.00 -4.18 0.04 0.00 0.00 0.00 0.00 36.38 32.24 1yaj s VAL 77 CO 0.00 -0.28 1.26 -0.54 0.00 0.00 0.00 175.10 175.53 1yaj s LYS 78 N 3.04 3.21 -0.50 2.72 1.02 0.53 -4.78 119.74 124.98 1yaj s LYS 78 Ca 0.34 -0.38 -0.31 0.00 0.02 0.00 0.00 55.97 55.64 1yaj s LYS 78 Cb -0.14 -4.28 -0.11 0.00 -0.52 0.00 0.00 37.83 32.78 1yaj s LYS 78 CO 0.13 -2.11 2.36 0.09 -0.92 0.00 0.00 175.35 174.90 1yaj n ASN 79 N 9.14 1.95 -3.51 2.83 3.02 -1.26 -0.02 115.26 127.41 1yaj n ASN 79 Ca 0.05 0.06 -0.34 0.00 -0.03 0.00 0.00 54.58 54.32 1yaj n ASN 79 Cb 0.49 -1.33 -0.03 0.00 -0.61 0.00 0.00 39.78 38.30 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 12.07 4.87 -2.48 5.41 0.00 0.30 -4.77 120.51 135.90 1yaj n ALA 80 Ca 0.44 -4.74 -0.16 0.00 0.00 0.00 0.00 53.44 48.98 1yaj n ALA 80 Cb 0.31 -1.48 0.02 0.00 0.00 0.00 0.00 19.45 18.31 1yaj n ALA 80 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1yaj n THR 81 N 0.56 1.84 -3.73 0.00 -1.04 -1.26 -2.46 114.28 108.19 1yaj n THR 81 Ca 0.32 -3.84 -0.12 0.00 -2.04 0.00 0.00 64.05 58.37 1yaj n THR 81 Cb 0.36 -0.19 -0.12 0.00 -1.82 0.00 0.00 70.33 68.56 1yaj n THR 81 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1yaj s SER 82 N -3.52 -0.35 0.05 8.00 0.15 -1.24 -5.03 113.70 111.76 1yaj s SER 82 Ca 0.39 0.66 -0.31 0.00 0.70 0.00 0.00 55.95 57.39 1yaj s SER 82 Cb 0.40 0.57 -0.08 0.00 -1.71 0.00 0.00 66.02 65.21 1yaj s SER 82 CO -0.04 -0.16 1.58 -0.31 1.20 0.00 0.00 173.24 175.52 1yaj s TYR 83 N 0.99 2.55 0.40 3.44 2.02 -1.26 -4.08 117.35 121.41 1yaj s TYR 83 Ca -0.07 0.46 -0.25 0.00 -0.37 0.00 0.00 57.07 56.84 1yaj s TYR 83 Cb -0.07 -3.88 -0.08 0.00 -0.40 0.00 0.00 41.96 37.52 1yaj s TYR 83 CO -0.07 -3.47 1.19 -1.25 -1.57 0.00 0.00 175.55 170.38 1yaj s PRO 84 N 2.55 4.05 0.88 -1.71 0.04 -1.26 -4.96 135.00 134.59 1yaj s PRO 84 Ca 0.71 1.90 -0.11 0.00 0.04 0.00 0.00 61.00 63.54 1yaj s PRO 84 Cb -0.38 -2.70 0.13 0.00 0.04 0.00 0.00 34.50 31.59 1yaj s PRO 84 CO 0.31 -0.34 1.16 -2.14 0.04 0.00 0.00 177.00 176.03 1yaj s PRO 85 N -2.27 1.22 0.08 0.56 0.02 -1.26 -4.81 135.00 128.54 1yaj s PRO 85 Ca 0.57 1.60 0.01 0.00 0.02 0.00 0.00 61.00 63.19 1yaj s PRO 85 Cb -0.32 -1.75 -0.04 0.00 0.02 0.00 0.00 34.50 32.42 1yaj s PRO 85 CO 0.40 -2.49 0.22 0.00 -0.33 0.00 0.00 177.00 174.80 1yaj s MET 86 N -4.52 3.38 0.57 5.54 0.23 0.22 -4.72 119.30 120.01 1yaj s MET 86 Ca 0.68 -0.50 -0.19 0.00 -1.03 0.00 0.00 55.69 54.64 1yaj s MET 86 Cb -0.24 -2.99 -0.06 0.00 -1.53 0.00 0.00 34.83 30.01 1yaj s MET 86 CO 0.56 0.58 1.00 0.00 -2.03 0.00 0.00 175.02 175.13 1yaj n THR 88 N -1.50 0.32 -3.72 0.00 -1.04 -1.16 -4.60 114.28 102.57 1yaj n THR 88 Ca 0.13 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1yaj n THR 88 Cb 0.46 -1.47 0.00 0.00 -1.82 0.00 0.00 70.33 67.50 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 6.60 0.00 -2.61 -2.82 10.64 -1.26 -4.80 117.38 123.12 1yaj n GLN 89 Ca 0.31 0.00 -0.43 0.00 -1.83 0.00 0.00 57.00 55.05 1yaj n GLN 89 Cb 0.19 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.55 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 -0.89 6.69 0.19 2.61 -1.08 -1.26 -4.93 116.67 118.00 1yaj s ASP 90 Ca 0.00 0.58 -0.13 0.00 -0.52 0.00 0.00 52.55 52.48 1yaj s ASP 90 Cb 0.00 -2.55 0.21 0.00 -1.46 0.00 0.00 42.92 39.13 1yaj s ASP 90 CO 0.00 -1.17 1.68 1.55 0.52 0.00 0.00 175.17 177.74 1yaj h PRO 91 N 8.99 0.11 0.24 4.34 0.13 -1.98 0.10 132.00 143.93 1yaj h PRO 91 Ca -0.22 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1yaj h PRO 91 Cb 1.06 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 1yaj h PRO 91 CO 1.11 0.07 -0.16 -0.22 -0.23 0.00 0.00 178.00 178.56 1yaj h LYS 92 N 0.11 -0.39 -0.90 0.86 3.64 -2.00 -1.09 116.57 116.81 1yaj h LYS 92 Ca 0.27 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1yaj h LYS 92 Cb 0.41 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.28 1yaj h LYS 92 CO -0.45 -0.26 0.56 0.00 -2.27 0.00 0.00 179.45 177.03 1yaj h ALA 93 N 0.34 1.14 0.25 5.00 0.00 -1.91 -1.71 119.26 122.37 1yaj h ALA 93 Ca -0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1yaj h ALA 93 Cb 0.34 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1yaj h ALA 93 CO 0.01 0.58 -0.13 0.78 0.00 0.00 0.00 179.25 180.50 1yaj h GLY 94 N 1.23 -0.36 1.35 0.00 0.00 -0.49 0.25 103.07 105.06 1yaj h GLY 94 Ca 0.32 0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.78 1yaj h GLY 94 CO -0.06 -0.13 0.31 -1.61 0.00 0.00 0.00 176.54 175.04 1yaj h GLN 95 N -0.35 0.85 0.63 4.80 4.15 -1.07 -1.32 115.11 122.81 1yaj h GLN 95 Ca -0.03 -0.10 -0.03 0.00 0.77 0.00 0.00 58.65 59.26 1yaj h GLN 95 Cb 0.27 -0.17 0.01 0.00 0.21 0.00 0.00 27.48 27.80 1yaj h GLN 95 CO 0.05 0.65 -0.30 1.25 -1.93 0.00 0.00 178.83 178.54 1yaj h LEU 96 N 0.85 -0.72 -0.80 -2.39 5.85 -0.84 -0.98 115.31 116.29 1yaj h LEU 96 Ca 0.21 0.02 0.16 0.00 0.84 0.00 0.00 57.88 59.11 1yaj h LEU 96 Cb 0.06 0.19 -0.10 0.00 0.37 0.00 0.00 40.66 41.18 1yaj h LEU 96 CO -0.03 -0.36 0.34 0.25 -0.34 0.00 0.00 178.44 178.30 1yaj h LEU 97 N -1.15 0.33 -1.64 2.25 5.85 -0.50 0.22 115.31 120.67 1yaj h LEU 97 Ca -0.09 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1yaj h LEU 97 Cb 0.65 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 1yaj h LEU 97 CO 0.14 0.11 -0.19 -1.28 -0.34 0.00 0.00 178.44 176.87 1yaj h SER 98 N 0.47 0.00 0.00 1.25 0.87 -1.24 -0.71 113.55 114.20 1yaj h SER 98 Ca 0.45 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.78 1yaj h SER 98 Cb 0.71 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.68 1yaj h SER 98 CO -0.42 0.19 -0.84 -0.33 -0.53 0.00 0.00 176.83 174.90 1yaj h GLU 99 N 0.00 0.67 0.00 2.24 5.08 0.82 -1.35 114.58 122.05 1yaj h GLU 99 Ca -0.00 -0.60 0.00 0.00 -1.00 0.00 0.00 59.36 57.76 1yaj h GLU 99 Cb 0.46 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1yaj h GLU 99 CO 0.03 1.21 -0.41 1.28 -1.00 0.00 0.00 179.01 180.11 1yaj n LEU 100 N -3.88 0.45 -0.03 1.33 4.77 -0.61 -4.10 117.00 114.92 1yaj n LEU 100 Ca -0.08 0.16 0.02 0.00 -0.03 0.00 0.00 56.01 56.09 1yaj n LEU 100 Cb 0.78 -0.29 -0.11 0.00 -2.33 0.00 0.00 43.42 41.47 1yaj n LEU 100 CO 0.53 0.05 -0.77 0.49 -1.33 0.00 0.00 177.39 176.36 1yaj n PHE 101 N -1.65 0.00 -0.75 -1.77 3.01 -0.30 -5.02 117.46 110.98 1yaj n PHE 101 Ca 0.05 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.19 1yaj n PHE 101 Cb 0.36 -0.45 0.14 0.00 -0.01 0.00 0.00 39.48 39.52 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 -2.19 0.02 -0.23 4.37 5.66 -0.51 -4.88 114.28 116.53 1yaj n THR 102 Ca -0.10 -0.11 0.00 0.00 -3.05 0.00 0.00 64.05 60.79 1yaj n THR 102 Cb 0.59 -0.78 0.00 0.00 -1.55 0.00 0.00 70.33 68.59 1yaj n THR 102 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1yaj n ASN 103 N -2.52 0.75 -4.78 1.09 6.94 -1.25 -4.99 115.26 110.51 1yaj n ASN 103 Ca 0.09 -0.99 -0.23 0.00 -0.02 0.00 0.00 54.58 53.42 1yaj n ASN 103 Cb 0.53 0.01 0.08 0.00 -2.36 0.00 0.00 39.78 38.04 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 -0.01 1.97 0.00 -3.83 1.70 -1.26 -4.35 118.95 113.17 1yaj s ARG 104 Ca 0.00 -0.87 0.00 0.00 -0.47 0.00 0.00 55.73 54.39 1yaj s ARG 104 Cb 0.00 -2.34 0.00 0.00 -0.57 0.00 0.00 34.95 32.04 1yaj s ARG 104 CO 0.00 -1.24 0.71 0.36 -1.08 0.00 0.00 175.30 174.05 1yaj n LYS 105 N -2.74 0.00 -3.58 3.89 2.85 -1.26 -4.72 118.16 112.61 1yaj n LYS 105 Ca 0.12 0.29 -0.35 0.00 -1.05 0.00 0.00 58.31 57.32 1yaj n LYS 105 Cb 0.60 -1.21 -0.05 0.00 -0.65 0.00 0.00 35.03 33.72 1yaj n LYS 105 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 1yaj s GLU 106 N -1.83 3.75 0.07 -1.58 -1.05 -1.26 -5.02 118.70 111.78 1yaj s GLU 106 Ca 0.00 0.16 -0.27 0.00 -0.15 0.00 0.00 54.97 54.72 1yaj s GLU 106 Cb 0.00 -2.99 -0.06 0.00 -0.44 0.00 0.00 34.13 30.64 1yaj s GLU 106 CO 0.00 0.56 0.84 1.21 0.95 0.00 0.00 175.26 178.81 1yaj s ASN 107 N -1.78 7.32 -0.40 0.83 3.04 -1.26 -5.00 114.94 117.69 1yaj s ASN 107 Ca 0.33 1.57 -0.19 0.00 0.04 0.00 0.00 52.86 54.61 1yaj s ASN 107 Cb -0.14 -2.51 0.01 0.00 -1.54 0.00 0.00 41.25 37.07 1yaj s ASN 107 CO 0.18 -0.01 0.57 -0.63 -3.04 0.00 0.00 177.10 174.17 1yaj s ILE 108 N -0.05 4.94 0.02 -5.21 -1.09 -1.26 -5.03 121.20 113.52 1yaj s ILE 108 Ca 0.41 0.17 -0.30 0.00 -2.23 0.00 0.00 60.65 58.70 1yaj s ILE 108 Cb -0.22 -4.09 -0.07 0.00 -1.58 0.00 0.00 42.46 36.51 1yaj s ILE 108 CO 0.25 -0.41 1.52 -2.16 -1.23 0.00 0.00 174.94 172.91 1yaj s PRO 109 N 2.56 4.24 0.28 2.79 0.04 -1.26 -4.97 135.00 138.69 1yaj s PRO 109 Ca 0.20 2.13 0.04 0.00 0.04 0.00 0.00 61.00 63.41 1yaj s PRO 109 Cb -0.15 -3.60 0.04 0.00 0.04 0.00 0.00 34.50 30.83 1yaj s PRO 109 CO 0.16 -0.66 0.34 1.28 0.04 0.00 0.00 177.00 178.16 1yaj n LEU 110 N 5.56 0.00 -4.34 -3.56 4.77 -1.26 -5.14 117.00 113.03 1yaj n LEU 110 Ca 0.14 -1.29 -0.22 0.00 -0.03 0.00 0.00 56.01 54.62 1yaj n LEU 110 Cb 0.42 -0.15 -0.11 0.00 -2.33 0.00 0.00 43.42 41.25 1yaj n LEU 110 CO 0.60 -0.55 -0.48 -0.54 -1.33 0.00 0.00 177.39 175.10 1yaj s LYS 111 N -3.24 1.29 0.07 3.23 1.02 -1.26 -4.98 119.74 115.87 1yaj s LYS 111 Ca 0.26 -1.43 -0.07 0.00 0.02 0.00 0.00 55.97 54.75 1yaj s LYS 111 Cb -0.02 -1.33 -0.05 0.00 -0.52 0.00 0.00 37.83 35.91 1yaj s LYS 111 CO 0.16 0.27 0.33 -0.51 -0.92 0.00 0.00 175.35 174.68 1yaj s LEU 112 N -2.73 4.33 0.00 3.17 1.43 -1.26 0.71 118.68 124.33 1yaj s LEU 112 Ca 0.17 0.61 0.00 0.00 -1.03 0.00 0.00 54.13 53.88 1yaj s LEU 112 Cb -0.05 -2.96 0.00 0.00 0.03 0.00 0.00 46.19 43.21 1yaj s LEU 112 CO 0.07 0.17 0.00 -0.24 0.23 0.00 0.00 176.35 176.58 1yaj n SER 113 N 0.71 0.00 0.25 2.29 2.88 -0.95 -4.88 113.62 113.93 1yaj n SER 113 Ca -0.07 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.59 1yaj n SER 113 Cb 0.52 0.00 0.67 0.00 -0.75 0.00 0.00 64.21 64.65 1yaj n SER 113 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1yaj h GLU 114 N 0.00 0.00 -5.41 -1.46 5.08 -1.94 -3.08 114.58 107.77 1yaj h GLU 114 Ca 0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 1yaj h GLU 114 Cb 0.00 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.11 1yaj h GLU 114 CO 0.00 0.15 1.20 0.34 -1.00 0.00 0.00 179.01 179.70 1yaj s ASP 115 N -6.15 6.65 0.00 1.42 2.15 -1.26 -4.43 116.67 115.05 1yaj s ASP 115 Ca -0.02 -1.98 0.00 0.00 0.43 0.00 0.00 52.55 50.98 1yaj s ASP 115 Cb 0.12 -2.47 0.00 0.00 -0.30 0.00 0.00 42.92 40.28 1yaj s ASP 115 CO 0.60 -1.18 0.26 0.00 -0.17 0.00 0.00 175.17 174.67 1yaj n LEU 117 N -0.03 4.37 -4.65 0.00 4.77 -1.26 -4.69 117.00 115.50 1yaj n LEU 117 Ca 0.00 -2.87 -0.28 0.00 -0.03 0.00 0.00 56.01 52.83 1yaj n LEU 117 Cb 0.23 -1.10 -0.10 0.00 -2.33 0.00 0.00 43.42 40.12 1yaj n LEU 117 CO 0.00 0.02 -0.27 -0.31 -1.33 0.00 0.00 177.39 175.50 1yaj s TYR 118 N 4.35 2.43 -0.05 -1.77 1.51 -1.26 -2.95 117.35 119.61 1yaj s TYR 118 Ca 0.49 -0.70 -0.15 0.00 -1.01 0.00 0.00 57.07 55.70 1yaj s TYR 118 Cb 0.12 -1.77 0.03 0.00 -0.11 0.00 0.00 41.96 40.23 1yaj s TYR 118 CO 0.05 0.39 0.34 -0.48 -1.11 0.00 0.00 175.55 174.74 1yaj s LEU 119 N -3.76 0.74 -0.05 -1.29 0.05 -1.07 -2.20 118.68 111.09 1yaj s LEU 119 Ca 0.31 0.31 0.05 0.00 0.05 0.00 0.00 54.13 54.85 1yaj s LEU 119 Cb 0.08 1.29 -0.02 0.00 -2.05 0.00 0.00 46.19 45.50 1yaj s LEU 119 CO 0.16 -0.35 -0.20 0.20 -0.55 0.00 0.00 176.35 175.61 1yaj s ASN 120 N -0.84 3.53 0.10 1.48 0.01 -0.56 -1.70 114.94 116.96 1yaj s ASN 120 Ca -0.09 -0.36 0.06 0.00 -0.71 0.00 0.00 52.86 51.76 1yaj s ASN 120 Cb -0.04 -0.77 -0.04 0.00 0.41 0.00 0.00 41.25 40.81 1yaj s ASN 120 CO 0.03 0.30 -0.06 -0.63 -1.51 0.00 0.00 177.10 175.23 1yaj s ILE 121 N -0.47 3.63 -0.33 0.60 1.01 0.18 -1.87 121.20 123.94 1yaj s ILE 121 Ca 0.06 -1.17 -0.01 0.00 0.00 0.00 0.00 60.65 59.52 1yaj s ILE 121 Cb -0.12 -2.72 0.11 0.00 0.01 0.00 0.00 42.46 39.75 1yaj s ILE 121 CO 0.01 0.10 0.13 -0.31 0.00 0.00 0.00 174.94 174.88 1yaj s TYR 122 N -1.28 1.36 -0.15 3.97 1.51 0.38 -2.09 117.35 121.05 1yaj s TYR 122 Ca 0.23 -1.64 -0.00 0.00 -1.01 0.00 0.00 57.07 54.65 1yaj s TYR 122 Cb -0.11 -1.49 -0.01 0.00 -0.11 0.00 0.00 41.96 40.24 1yaj s TYR 122 CO 0.16 -0.85 -0.14 -0.08 -1.11 0.00 0.00 175.55 173.53 1yaj s THR 123 N 1.50 2.80 -0.33 -0.71 -1.32 -0.68 -0.81 115.64 116.09 1yaj s THR 123 Ca 0.11 -0.73 0.09 0.00 -1.21 0.00 0.00 61.69 59.96 1yaj s THR 123 Cb -0.19 -2.19 0.66 0.00 -1.51 0.00 0.00 72.50 69.28 1yaj s THR 123 CO -0.22 0.51 1.72 -0.81 -2.21 0.00 0.00 174.62 173.62 1yaj n PRO 124 N 3.99 2.94 -3.42 7.08 -0.04 -1.26 -0.22 135.00 144.06 1yaj n PRO 124 Ca -0.19 -3.07 -0.25 0.00 -0.04 0.00 0.00 63.50 59.96 1yaj n PRO 124 Cb 0.52 -2.09 -0.02 0.00 -0.04 0.00 0.00 33.50 31.87 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 -3.09 3.71 -0.73 0.55 0.00 -1.26 -4.95 121.76 115.98 1yaj s ALA 125 Ca 0.52 -0.87 -0.20 0.00 0.00 0.00 0.00 51.96 51.41 1yaj s ALA 125 Cb 0.43 -2.11 0.10 0.00 0.00 0.00 0.00 23.12 21.55 1yaj s ALA 125 CO 0.10 0.06 0.94 0.34 0.00 0.00 0.00 175.76 177.20 1yaj s ASP 126 N -3.84 6.34 0.00 0.00 2.15 -1.26 -4.82 116.67 115.24 1yaj s ASP 126 Ca 0.40 -1.50 0.00 0.00 0.43 0.00 0.00 52.55 51.88 1yaj s ASP 126 Cb -0.10 -2.37 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 1yaj s ASP 126 CO 0.34 -1.21 0.65 0.18 -0.17 0.00 0.00 175.17 174.97 1yaj n LEU 127 N 6.85 0.00 -0.01 -1.34 4.32 -1.26 -2.22 117.00 123.34 1yaj n LEU 127 Ca 0.04 0.18 -0.12 0.00 -0.02 0.00 0.00 56.01 56.09 1yaj n LEU 127 Cb 0.46 -0.18 -0.10 0.00 -1.62 0.00 0.00 43.42 41.98 1yaj n LEU 127 CO 0.57 -0.18 0.47 0.71 -1.22 0.00 0.00 177.39 177.74 1yaj h THR 128 N 0.00 1.29 -3.99 -5.08 1.35 -1.98 -3.46 112.91 101.04 1yaj h THR 128 Ca 0.00 -1.48 -0.25 0.00 -0.55 0.00 0.00 66.41 64.13 1yaj h THR 128 Cb 0.04 2.22 0.06 0.00 -1.73 0.00 0.00 68.15 68.74 1yaj h THR 128 CO 0.00 0.35 0.12 0.29 -0.25 0.00 0.00 175.52 176.03 1yaj n LYS 129 N -4.80 -0.10 -3.22 4.72 5.02 -0.94 -5.04 118.16 113.80 1yaj n LYS 129 Ca -0.08 -1.36 -0.43 0.00 -2.02 0.00 0.00 58.31 54.41 1yaj n LYS 129 Cb 0.31 -0.50 -0.07 0.00 -0.02 0.00 0.00 35.03 34.75 1yaj n LYS 129 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1yaj s LYS 130 N -4.12 3.14 -0.06 1.97 1.02 -1.26 -4.93 119.74 115.50 1yaj s LYS 130 Ca 0.38 -0.73 0.02 0.00 0.02 0.00 0.00 55.97 55.66 1yaj s LYS 130 Cb -0.02 -4.01 -0.03 0.00 -0.52 0.00 0.00 37.83 33.26 1yaj s LYS 130 CO 0.26 -1.01 -0.11 -0.80 -0.92 0.00 0.00 175.35 172.77 1yaj s ASN 131 N 2.16 4.30 -0.44 2.83 0.01 -1.26 -5.03 114.94 117.50 1yaj s ASN 131 Ca 0.15 -0.12 0.09 0.00 -0.71 0.00 0.00 52.86 52.27 1yaj s ASN 131 Cb -0.17 -1.01 0.39 0.00 0.41 0.00 0.00 41.25 40.88 1yaj s ASN 131 CO 0.14 0.35 0.95 0.54 -1.51 0.00 0.00 177.10 177.57 1yaj n ARG 132 N 2.30 2.35 -1.78 -0.60 3.00 -1.21 -3.82 116.66 116.90 1yaj n ARG 132 Ca -0.18 -4.08 -0.33 0.00 -0.01 0.00 0.00 57.85 53.25 1yaj n ARG 132 Cb 0.52 -1.90 0.04 0.00 0.00 0.00 0.00 32.46 31.12 1yaj n ARG 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1yaj s LEU 133 N -3.20 3.39 0.39 0.55 1.43 -0.03 -3.96 118.68 117.25 1yaj s LEU 133 Ca 0.42 1.96 -0.26 0.00 -1.03 0.00 0.00 54.13 55.21 1yaj s LEU 133 Cb 0.37 -4.55 -0.09 0.00 0.03 0.00 0.00 46.19 41.96 1yaj s LEU 133 CO -0.10 -1.57 1.28 -2.16 0.23 0.00 0.00 176.35 174.03 1yaj s PRO 134 N -4.14 4.07 0.03 1.29 0.04 -1.26 0.20 135.00 135.22 1yaj s PRO 134 Ca 0.66 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.82 1yaj s PRO 134 Cb -0.19 -2.82 -0.04 0.00 0.04 0.00 0.00 34.50 31.49 1yaj s PRO 134 CO 0.42 -0.39 0.11 0.08 0.04 0.00 0.00 177.00 177.25 1yaj s VAL 135 N -1.26 4.86 -0.19 -0.36 1.01 -1.18 -2.11 120.40 121.18 1yaj s VAL 135 Ca 0.55 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 1yaj s VAL 135 Cb -0.37 -3.28 0.06 0.00 0.00 0.00 0.00 36.38 32.78 1yaj s VAL 135 CO 0.48 0.25 0.04 -0.04 0.00 0.00 0.00 175.10 175.83 1yaj s MET 136 N -2.06 0.62 -0.12 2.72 -1.94 0.22 -1.25 119.30 117.49 1yaj s MET 136 Ca 0.27 -0.38 -0.15 0.00 -1.71 0.00 0.00 55.69 53.72 1yaj s MET 136 Cb -0.12 -2.04 -0.05 0.00 2.01 0.00 0.00 34.83 34.63 1yaj s MET 136 CO 0.19 -0.63 0.36 0.08 -0.01 0.00 0.00 175.02 175.01 1yaj s VAL 137 N 1.88 5.24 -0.16 -6.03 1.01 -0.40 0.18 120.40 122.12 1yaj s VAL 137 Ca -0.00 0.70 -0.01 0.00 0.00 0.00 0.00 61.98 62.66 1yaj s VAL 137 Cb -0.17 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 1yaj s VAL 137 CO -0.08 0.41 -0.11 0.86 0.00 0.00 0.00 175.10 176.18 1yaj s TRP 138 N 0.24 2.86 -0.42 5.22 -0.11 0.69 -1.45 118.94 125.96 1yaj s TRP 138 Ca 0.20 -0.76 -0.10 0.00 1.22 0.00 0.00 56.10 56.67 1yaj s TRP 138 Cb -0.14 -1.92 0.08 0.00 -1.50 0.00 0.00 33.47 29.99 1yaj s TRP 138 CO 0.07 -0.32 0.27 0.42 -4.62 0.00 0.00 176.95 172.77 1yaj s ILE 139 N 0.69 4.30 0.66 5.86 1.01 0.84 -2.68 121.20 131.88 1yaj s ILE 139 Ca -0.05 -1.38 -0.18 0.00 0.00 0.00 0.00 60.65 59.04 1yaj s ILE 139 Cb -0.15 -3.63 -0.00 0.00 0.01 0.00 0.00 42.46 38.68 1yaj s ILE 139 CO 0.02 -0.51 1.28 0.00 0.00 0.00 0.00 174.94 175.72 1yaj n HIS 140 N 4.94 1.84 -3.77 3.97 1.44 -1.26 -3.62 115.22 118.76 1yaj n HIS 140 Ca -0.10 0.42 -0.22 0.00 -2.01 0.00 0.00 57.72 55.80 1yaj n HIS 140 Cb 0.43 -2.25 -0.02 0.00 0.12 0.00 0.00 29.99 28.27 1yaj n HIS 140 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 1yaj s GLY 141 N -1.44 1.29 0.00 -1.39 0.00 -1.16 -3.69 107.32 100.93 1yaj s GLY 141 Ca 0.82 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 44.43 1yaj s GLY 141 CO 0.41 -1.09 0.00 0.61 0.00 0.00 0.00 173.10 173.03 1yaj n GLY 142 N -1.48 0.00 2.42 0.20 0.00 -1.25 -4.67 105.19 100.41 1yaj n GLY 142 Ca -0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 1yaj n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yaj n GLY 143 N 0.00 0.15 2.71 -0.02 0.00 -1.26 -1.52 105.19 105.25 1yaj n GLY 143 Ca 0.00 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.66 -0.82 0.00 0.99 4.77 -1.26 -4.73 117.00 113.29 1yaj n LEU 144 Ca -0.22 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1yaj n LEU 144 Cb 0.67 -2.76 0.00 0.00 -2.33 0.00 0.00 43.42 39.00 1yaj n LEU 144 CO 0.28 -1.06 -0.48 0.23 -1.33 0.00 0.00 177.39 175.02 1yaj n MET 145 N -1.46 1.12 -4.25 3.23 2.81 -0.75 0.75 117.12 118.58 1yaj n MET 145 Ca -0.15 0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 55.59 1yaj n MET 145 Cb 0.63 -0.98 -0.09 0.00 -0.71 0.00 0.00 33.22 32.07 1yaj n MET 145 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1yaj s VAL 146 N -1.96 0.08 0.00 2.03 -7.23 -0.58 -4.34 120.40 108.40 1yaj s VAL 146 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1yaj s VAL 146 Cb 0.00 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.43 1yaj s VAL 146 CO 0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 1yaj n GLY 147 N -0.42 2.68 3.45 2.32 0.00 -1.26 -3.88 105.19 108.07 1yaj n GLY 147 Ca 0.03 -2.07 -0.14 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.40 -1.60 -0.17 4.61 0.00 -1.26 -4.51 121.76 116.43 1yaj s ALA 148 Ca 0.00 0.75 0.19 0.00 0.00 0.00 0.00 51.96 52.90 1yaj s ALA 148 Cb 0.00 0.55 0.33 0.00 0.00 0.00 0.00 23.12 24.00 1yaj s ALA 148 CO 0.00 -0.61 1.57 0.00 0.00 0.00 0.00 175.76 176.72 1yaj h ALA 149 N 2.41 0.83 0.00 0.00 0.00 -1.91 -3.26 119.26 117.34 1yaj h ALA 149 Ca -0.31 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1yaj h ALA 149 Cb 1.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1yaj h ALA 149 CO 0.39 0.38 0.00 0.77 0.00 0.00 0.00 179.25 180.79 1yaj h SER 150 N 0.00 0.00 0.02 0.00 0.02 -1.91 -2.91 113.55 108.76 1yaj h SER 150 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1yaj h SER 150 Cb 1.14 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 1yaj h SER 150 CO 0.04 0.00 -0.05 0.74 -1.14 0.00 0.00 176.83 176.42 1yaj h THR 151 N 0.00 1.08 -3.37 -2.27 2.02 -1.93 -3.40 112.91 105.04 1yaj h THR 151 Ca 0.00 -0.35 -0.63 0.00 0.77 0.00 0.00 66.41 66.20 1yaj h THR 151 Cb 0.33 1.09 -0.20 0.00 -1.74 0.00 0.00 68.15 67.63 1yaj h THR 151 CO 0.00 0.11 -0.63 -0.31 0.37 0.00 0.00 175.52 175.06 1yaj s TYR 152 N -4.92 3.10 -0.32 3.16 1.51 -1.10 -3.76 117.35 115.02 1yaj s TYR 152 Ca -0.05 -0.23 -0.11 0.00 -1.01 0.00 0.00 57.07 55.68 1yaj s TYR 152 Cb 0.16 -2.05 -0.01 0.00 -0.11 0.00 0.00 41.96 39.95 1yaj s TYR 152 CO 0.70 -0.06 0.18 0.34 -1.11 0.00 0.00 175.55 175.60 1yaj s ASP 153 N 0.64 5.70 0.00 2.29 3.68 -1.26 -4.97 116.67 122.76 1yaj s ASP 153 Ca 0.00 -0.48 0.20 0.00 2.13 0.00 0.00 52.55 54.40 1yaj s ASP 153 Cb -0.14 -2.04 1.18 0.00 -1.45 0.00 0.00 42.92 40.47 1yaj s ASP 153 CO 0.02 -0.20 1.70 0.61 0.13 0.00 0.00 175.17 177.43 1yaj n GLY 154 N 5.02 -0.91 0.30 2.66 0.00 -1.26 -4.33 105.19 106.67 1yaj n GLY 154 Ca -0.13 -0.12 -0.05 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 -0.90 0.30 0.99 5.85 -1.93 -1.03 115.31 118.59 1yaj h LEU 155 Ca 0.00 0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 1yaj h LEU 155 Cb 0.00 0.46 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1yaj h LEU 155 CO 0.00 -0.27 -0.14 0.00 -0.34 0.00 0.00 178.44 177.68 1yaj h ALA 156 N 1.09 -0.88 -0.97 1.25 0.00 -1.83 -2.87 119.26 115.05 1yaj h ALA 156 Ca 0.22 -0.09 0.31 0.00 0.00 0.00 0.00 54.91 55.36 1yaj h ALA 156 Cb 0.50 0.16 -0.16 0.00 0.00 0.00 0.00 17.79 18.29 1yaj h ALA 156 CO -0.58 -0.85 0.39 1.25 0.00 0.00 0.00 179.25 179.46 1yaj h LEU 157 N -0.49 0.18 0.59 0.00 5.85 -1.78 0.23 115.31 119.89 1yaj h LEU 157 Ca -0.04 0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 1yaj h LEU 157 Cb 0.31 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 1yaj h LEU 157 CO 0.07 -0.25 -0.40 0.00 -0.34 0.00 0.00 178.44 177.52 1yaj h ALA 158 N 1.89 -1.18 0.25 1.25 0.00 -1.19 -2.03 119.26 118.25 1yaj h ALA 158 Ca 0.69 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.40 1yaj h ALA 158 Cb 1.60 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.93 1yaj h ALA 158 CO -0.71 -1.15 -0.12 0.00 0.00 0.00 0.00 179.25 177.26 1yaj h ALA 159 N -1.27 -0.34 -0.96 0.00 0.00 -0.82 -0.46 119.26 115.41 1yaj h ALA 159 Ca -0.08 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 54.80 1yaj h ALA 159 Cb 0.77 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.61 1yaj h ALA 159 CO 0.06 -0.57 0.61 0.45 0.00 0.00 0.00 179.25 179.80 1yaj h HIS 160 N -0.58 1.03 -0.05 0.00 -0.00 -0.72 -3.12 115.15 111.70 1yaj h HIS 160 Ca -0.03 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1yaj h HIS 160 Cb 0.42 -0.33 0.00 0.00 -0.00 0.00 0.00 27.41 27.51 1yaj h HIS 160 CO 0.00 0.40 0.00 0.39 -0.00 0.00 0.00 177.93 178.73 1yaj n GLU 161 N -4.60 1.70 -3.80 2.45 -0.58 -0.76 -5.03 120.64 110.02 1yaj n GLU 161 Ca 0.18 -2.58 -0.28 0.00 -0.42 0.00 0.00 57.16 54.07 1yaj n GLU 161 Cb 0.39 -1.54 0.01 0.00 -0.57 0.00 0.00 31.44 29.72 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 -1.19 -4.92 -3.85 1.62 4.05 -0.25 -4.98 115.26 105.74 1yaj n ASN 162 Ca 0.16 -0.98 -0.12 0.00 0.45 0.00 0.00 54.58 54.10 1yaj n ASN 162 Cb 0.67 -1.97 -0.10 0.00 1.23 0.00 0.00 39.78 39.61 1yaj n ASN 162 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1yaj s VAL 163 N -3.11 0.07 -0.58 3.44 -7.23 -0.79 -4.67 120.40 107.52 1yaj s VAL 163 Ca 0.12 -0.56 -0.24 0.00 -1.81 0.00 0.00 61.98 59.48 1yaj s VAL 163 Cb -0.06 -0.43 0.04 0.00 0.56 0.00 0.00 36.38 36.49 1yaj s VAL 163 CO 0.90 -0.31 0.99 -0.69 -0.31 0.00 0.00 175.10 175.68 1yaj s VAL 164 N -1.15 4.31 -0.12 1.32 1.01 -0.90 -4.15 120.40 120.72 1yaj s VAL 164 Ca -0.12 0.26 -0.24 0.00 0.00 0.00 0.00 61.98 61.88 1yaj s VAL 164 Cb -0.06 -4.60 -0.03 0.00 0.00 0.00 0.00 36.38 31.69 1yaj s VAL 164 CO 0.02 -1.22 0.75 -0.69 0.00 0.00 0.00 175.10 173.96 1yaj s VAL 165 N 4.16 4.97 -0.14 2.92 1.01 0.01 -0.61 120.40 132.72 1yaj s VAL 165 Ca 0.31 1.51 0.01 0.00 0.00 0.00 0.00 61.98 63.80 1yaj s VAL 165 Cb -0.12 -4.08 0.02 0.00 0.00 0.00 0.00 36.38 32.20 1yaj s VAL 165 CO 0.18 0.14 -0.15 -0.69 0.00 0.00 0.00 175.10 174.59 1yaj s VAL 166 N 1.46 1.58 -0.20 2.92 1.01 0.46 -0.47 120.40 127.16 1yaj s VAL 166 Ca 0.37 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 1yaj s VAL 166 Cb -0.17 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 1yaj s VAL 166 CO 0.15 0.46 -0.06 0.42 0.00 0.00 0.00 175.10 176.07 1yaj s THR 167 N 1.38 3.34 0.42 3.92 -4.23 -0.78 0.25 115.64 119.93 1yaj s THR 167 Ca 0.03 -0.52 0.08 0.00 -1.18 0.00 0.00 61.69 60.10 1yaj s THR 167 Cb -0.13 -2.49 -0.01 0.00 1.34 0.00 0.00 72.50 71.20 1yaj s THR 167 CO -0.09 0.45 0.43 0.27 -0.54 0.00 0.00 174.62 175.14 1yaj s ILE 168 N 1.20 2.77 0.04 2.99 -4.36 -1.09 -1.50 121.20 121.25 1yaj s ILE 168 Ca 0.02 -1.24 0.04 0.00 -0.26 0.00 0.00 60.65 59.20 1yaj s ILE 168 Cb -0.14 -3.00 -0.02 0.00 1.25 0.00 0.00 42.46 40.54 1yaj s ILE 168 CO -0.02 -0.00 -0.11 -1.10 0.24 0.00 0.00 174.94 173.95 1yaj s GLN 169 N -4.19 0.71 0.05 0.37 -0.21 -0.93 -4.23 119.66 111.22 1yaj s GLN 169 Ca 0.50 -0.70 -0.01 0.00 0.02 0.00 0.00 55.36 55.17 1yaj s GLN 169 Cb -0.05 -0.63 -0.04 0.00 1.00 0.00 0.00 33.01 33.29 1yaj s GLN 169 CO 0.29 0.15 -0.03 1.52 -2.12 0.00 0.00 175.29 175.10 1yaj s TYR 170 N -0.98 0.50 0.50 0.91 1.13 -1.26 -4.51 117.35 113.63 1yaj s TYR 170 Ca -0.03 -0.99 -0.23 0.00 -1.41 0.00 0.00 57.07 54.41 1yaj s TYR 170 Cb -0.08 -0.37 -0.07 0.00 -1.10 0.00 0.00 41.96 40.34 1yaj s TYR 170 CO 0.01 -0.35 1.35 0.54 -2.51 0.00 0.00 175.55 174.59 1yaj n ARG 171 N 0.30 1.85 -4.35 -3.49 1.74 -1.26 -4.80 116.66 106.65 1yaj n ARG 171 Ca -0.15 0.67 -0.19 0.00 -0.77 0.00 0.00 57.85 57.41 1yaj n ARG 171 Cb 0.60 -2.54 -0.10 0.00 -1.02 0.00 0.00 32.46 29.40 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 -2.88 2.55 0.00 0.55 1.43 -1.26 -4.21 118.68 114.86 1yaj s LEU 172 Ca 0.67 -1.03 0.00 0.00 -1.03 0.00 0.00 54.13 52.74 1yaj s LEU 172 Cb -0.44 -0.68 0.00 0.00 0.03 0.00 0.00 46.19 45.10 1yaj s LEU 172 CO 0.53 -0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.54 1yaj n GLY 173 N -0.40 2.47 0.33 -3.19 0.00 0.23 -3.00 105.19 101.63 1yaj n GLY 173 Ca -0.08 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 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 0.31 0.00 -0.61 2.04 -1.92 0.62 117.51 117.95 1yaj h ILE 174 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1yaj h ILE 174 Cb 0.00 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 1yaj h ILE 174 CO 0.00 0.00 0.36 -0.50 0.00 0.00 0.00 178.15 178.01 1yaj h TRP 175 N -0.47 0.00 0.00 1.37 6.55 -1.89 -2.59 115.95 118.92 1yaj h TRP 175 Ca 0.06 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.90 1yaj h TRP 175 Cb 0.56 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.86 1yaj h TRP 175 CO -0.34 0.00 0.00 0.41 -1.05 0.00 0.00 178.44 177.46 1yaj n GLY 176 N -1.27 0.68 0.58 1.49 0.00 -0.54 -4.54 105.19 101.60 1yaj n GLY 176 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.51 0.00 -2.66 1.61 3.72 0.10 -0.22 117.46 119.50 1yaj n PHE 177 Ca 0.00 -0.05 -0.43 0.00 -0.05 0.00 0.00 57.45 56.93 1yaj n PHE 177 Cb 0.02 0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.54 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 2.95 0.01 1.38 2.19 -1.05 -4.66 117.98 118.81 1yaj s PHE 178 Ca 0.02 0.81 0.07 0.00 0.33 0.00 0.00 56.93 58.17 1yaj s PHE 178 Cb 0.03 -4.08 -0.02 0.00 -1.31 0.00 0.00 43.02 37.64 1yaj s PHE 178 CO -0.01 -1.06 -0.22 -1.54 1.83 0.00 0.00 175.22 174.22 1yaj s SER 179 N 2.14 2.63 0.00 6.13 1.04 -1.26 -4.47 113.70 119.91 1yaj s SER 179 Ca 0.45 -0.47 0.26 0.00 0.48 0.00 0.00 55.95 56.67 1yaj s SER 179 Cb -0.09 -0.26 0.60 0.00 0.10 0.00 0.00 66.02 66.37 1yaj s SER 179 CO 0.25 0.23 1.47 0.35 0.98 0.00 0.00 173.24 176.52 1yaj n THR 180 N 2.21 0.00 0.00 2.02 -2.24 -1.05 -4.37 114.28 110.85 1yaj n THR 180 Ca -0.16 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1yaj n THR 180 Cb 0.53 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 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 1.36 2.93 0.00 3.38 0.00 -1.26 -4.15 105.19 107.44 1yaj n GLY 181 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 1.66 0.00 1.61 5.75 -1.26 -4.97 116.55 119.34 1yaj n ASP 182 Ca 0.00 -0.82 0.09 0.00 -0.01 0.00 0.00 54.79 54.04 1yaj n ASP 182 Cb 0.00 0.00 0.46 0.00 -1.03 0.00 0.00 41.12 40.55 1yaj n ASP 182 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1yaj n GLU 183 N -0.14 0.32 0.00 0.11 0.00 -1.26 -2.30 120.64 117.37 1yaj n GLU 183 Ca 0.00 0.09 0.16 0.00 0.00 0.00 0.00 57.16 57.41 1yaj n GLU 183 Cb 0.00 -1.50 0.91 0.00 0.00 0.00 0.00 31.44 30.85 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 -1.22 0.00 0.00 -1.84 8.25 -1.26 -4.42 115.22 114.74 1yaj n HIS 184 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 1yaj n HIS 184 Cb 0.12 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.18 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 -1.05 0.00 -0.22 0.41 2.88 -1.17 -4.90 113.62 109.56 1yaj n SER 185 Ca 0.22 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.93 1yaj n SER 185 Cb 0.13 0.00 0.49 0.00 -0.75 0.00 0.00 64.21 64.09 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 0.43 0.00 -1.46 3.08 -1.67 -2.78 114.38 111.98 1yaj h ARG 186 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1yaj h ARG 186 Cb 0.00 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.95 1yaj h ARG 186 CO 0.00 0.28 0.00 0.41 -1.07 0.00 0.00 179.97 179.59 1yaj n GLY 187 N -1.51 -1.72 2.30 0.04 0.00 -1.26 -4.71 105.19 98.32 1yaj n GLY 187 Ca 0.18 -2.05 -0.12 0.00 0.00 0.00 0.00 46.02 44.03 1yaj n GLY 187 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1yaj n ASN 188 N 0.00 -4.17 0.02 1.61 3.02 -1.25 -4.92 115.26 109.57 1yaj n ASN 188 Ca 0.00 0.18 -0.11 0.00 -0.03 0.00 0.00 54.58 54.62 1yaj n ASN 188 Cb 0.00 -2.95 -0.05 0.00 -0.61 0.00 0.00 39.78 36.17 1yaj n ASN 188 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 1yaj h TRP 189 N 0.00 -0.96 -0.78 3.10 -0.00 -1.42 0.25 115.95 116.13 1yaj h TRP 189 Ca -0.25 0.04 0.18 0.00 -0.00 0.00 0.00 58.89 58.86 1yaj h TRP 189 Cb 0.92 0.43 -0.12 0.00 -0.00 0.00 0.00 29.16 30.39 1yaj h TRP 189 CO 0.32 -0.42 0.17 0.78 -0.00 0.00 0.00 178.44 179.29 1yaj h GLY 190 N -0.45 1.10 1.18 1.49 0.00 -0.77 0.92 103.07 106.55 1yaj h GLY 190 Ca 0.08 -0.02 -0.14 0.00 0.00 0.00 0.00 47.33 47.25 1yaj h GLY 190 CO -0.33 -0.26 -0.31 0.45 0.00 0.00 0.00 176.54 176.08 1yaj h HIS 191 N 0.23 1.07 0.00 5.60 3.86 -1.54 -2.47 115.15 121.90 1yaj h HIS 191 Ca 0.46 -0.29 -0.06 0.00 -1.16 0.00 0.00 60.37 59.32 1yaj h HIS 191 Cb 0.83 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 29.05 1yaj h HIS 191 CO -0.28 1.10 -0.29 -0.07 0.86 0.00 0.00 177.93 179.25 1yaj h LEU 192 N 0.77 0.00 -0.71 2.43 3.38 0.76 0.21 115.31 122.15 1yaj h LEU 192 Ca 0.08 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 1yaj h LEU 192 Cb 0.88 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1yaj h LEU 192 CO 0.08 0.29 -0.37 0.44 0.09 0.00 0.00 178.44 178.97 1yaj h ASP 193 N 0.00 0.60 -0.07 -0.43 5.19 -0.61 0.19 116.42 121.29 1yaj h ASP 193 Ca -0.00 -0.26 -0.03 0.00 -0.62 0.00 0.00 57.03 56.12 1yaj h ASP 193 Cb 0.57 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.91 1yaj h ASP 193 CO 0.04 0.92 -0.06 1.56 -3.12 0.00 0.00 179.24 178.57 1yaj h GLN 194 N 0.48 0.17 -0.70 3.56 4.20 -0.91 -1.16 115.11 120.74 1yaj h GLN 194 Ca 0.05 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1yaj h GLN 194 Cb 0.86 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.61 1yaj h GLN 194 CO 0.07 0.60 0.41 0.28 -0.67 0.00 0.00 178.83 179.52 1yaj h VAL 195 N -0.26 1.20 0.45 -0.54 2.07 -0.81 -2.46 116.25 115.90 1yaj h VAL 195 Ca 0.01 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 1yaj h VAL 195 Cb 0.57 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1yaj h VAL 195 CO 0.02 0.21 -0.22 0.00 0.02 0.00 0.00 177.57 177.61 1yaj h ALA 196 N 1.48 -0.60 -0.96 1.67 0.00 -0.44 -2.60 119.26 117.82 1yaj h ALA 196 Ca 0.25 -0.15 0.18 0.00 0.00 0.00 0.00 54.91 55.19 1yaj h ALA 196 Cb -0.02 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 17.90 1yaj h ALA 196 CO -0.04 -0.81 0.55 0.00 0.00 0.00 0.00 179.25 178.95 1yaj h ALA 197 N -0.14 1.54 -0.46 0.00 0.00 -1.00 0.23 119.26 119.43 1yaj h ALA 197 Ca -0.06 0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1yaj h ALA 197 Cb 0.50 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1yaj h ALA 197 CO 0.10 -0.06 0.31 -0.07 0.00 0.00 0.00 179.25 179.53 1yaj h LEU 198 N 0.72 0.40 -0.74 0.00 3.38 -1.12 0.15 115.31 118.10 1yaj h LEU 198 Ca 0.54 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.39 1yaj h LEU 198 Cb 0.82 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1yaj h LEU 198 CO -0.38 0.27 -0.36 0.03 0.09 0.00 0.00 178.44 178.09 1yaj h ARG 199 N 0.46 0.54 -0.50 1.13 3.08 -0.19 -1.18 114.38 117.71 1yaj h ARG 199 Ca 0.19 -0.25 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 1yaj h ARG 199 Cb 0.19 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1yaj h ARG 199 CO -0.05 0.82 0.07 2.35 -1.07 0.00 0.00 179.97 182.09 1yaj h TRP 200 N 0.45 0.83 -0.22 3.04 7.01 -0.26 -2.53 115.95 124.27 1yaj h TRP 200 Ca 0.05 -0.09 -0.03 0.00 2.11 0.00 0.00 58.89 60.92 1yaj h TRP 200 Cb 0.84 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.66 1yaj h TRP 200 CO 0.03 0.73 0.01 0.28 -2.79 0.00 0.00 178.44 176.71 1yaj h VAL 201 N 0.76 1.25 0.00 2.65 2.07 -0.72 -1.15 116.25 121.10 1yaj h VAL 201 Ca 0.16 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1yaj h VAL 201 Cb 0.36 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1yaj h VAL 201 CO 0.01 0.26 0.00 1.67 0.02 0.00 0.00 177.57 179.53 1yaj n GLN 202 N -4.69 0.81 0.00 1.57 7.27 -0.48 -2.37 117.38 119.49 1yaj n GLN 202 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.03 1yaj n GLN 202 Cb 0.22 -1.06 0.00 0.00 2.41 0.00 0.00 30.24 31.81 1yaj n GLN 202 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1yaj n ASP 203 N -0.56 4.76 0.00 1.69 8.00 -0.94 -4.91 116.55 124.59 1yaj n ASP 203 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.52 1yaj n ASP 203 Cb 0.01 0.58 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 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 -1.82 4.41 -0.55 -2.24 3.02 -0.48 -4.77 115.26 112.83 1yaj n ASN 204 Ca 0.00 0.00 0.44 0.00 -0.03 0.00 0.00 54.58 54.99 1yaj n ASN 204 Cb 0.38 0.23 0.68 0.00 -0.61 0.00 0.00 39.78 40.46 1yaj n ASN 204 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yaj n ILE 205 N -2.24 0.00 0.18 2.41 0.13 -1.00 0.69 119.36 119.53 1yaj n ILE 205 Ca 0.00 1.34 0.12 0.00 -1.10 0.00 0.00 62.75 63.11 1yaj n ILE 205 Cb 0.49 -2.27 0.66 0.00 -0.84 0.00 0.00 39.64 37.69 1yaj n ILE 205 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1yaj h ALA 206 N 0.82 2.15 0.00 1.51 0.00 -1.81 0.14 119.26 122.07 1yaj h ALA 206 Ca 0.78 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.68 1yaj h ALA 206 Cb 3.34 0.01 0.00 0.00 0.00 0.00 0.00 17.79 21.15 1yaj h ALA 206 CO -0.01 -0.21 -0.24 0.43 0.00 0.00 0.00 179.25 179.22 1yaj n SER 207 N -4.48 0.28 -1.01 0.00 7.64 0.22 -3.16 113.62 113.10 1yaj n SER 207 Ca 0.01 0.16 0.12 0.00 1.01 0.00 0.00 58.87 60.17 1yaj n SER 207 Cb 0.26 -0.16 0.21 0.00 -1.01 0.00 0.00 64.21 63.50 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 -1.55 0.28 -0.18 1.43 3.01 0.34 -4.80 117.46 115.98 1yaj n PHE 208 Ca 0.06 -0.14 0.00 0.00 1.01 0.00 0.00 57.45 58.38 1yaj n PHE 208 Cb 0.35 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.82 1yaj n PHE 208 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yaj n GLY 209 N 1.41 0.88 3.91 1.37 0.00 -1.01 -4.76 105.19 106.99 1yaj n GLY 209 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 1yaj n GLY 209 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1yaj s GLY 210 N -1.93 1.42 -0.48 -0.02 0.00 -0.38 -0.85 107.32 105.07 1yaj s GLY 210 Ca 0.00 -1.24 -0.14 0.00 0.00 0.00 0.00 44.72 43.34 1yaj s GLY 210 CO 0.00 -1.26 0.40 0.21 0.00 0.00 0.00 173.10 172.46 1yaj s ASN 211 N -3.69 6.06 0.00 1.64 2.47 0.53 -3.50 114.94 118.45 1yaj s ASN 211 Ca 0.33 -1.53 0.00 0.00 0.42 0.00 0.00 52.86 52.08 1yaj s ASN 211 Cb -0.09 -2.15 0.00 0.00 -1.45 0.00 0.00 41.25 37.56 1yaj s ASN 211 CO 0.27 -0.70 0.43 -0.81 -3.72 0.00 0.00 177.10 172.57 1yaj n PRO 212 N 5.16 0.00 -0.34 0.43 -0.04 -1.26 -0.88 135.00 138.06 1yaj n PRO 212 Ca -0.12 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.42 1yaj n PRO 212 Cb 0.42 -1.45 0.26 0.00 -0.04 0.00 0.00 33.50 32.69 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 -0.93 2.78 2.73 0.55 0.00 -1.26 -4.56 105.19 104.50 1yaj n GLY 213 Ca 0.00 -0.65 -0.03 0.00 0.00 0.00 0.00 46.02 45.33 1yaj n GLY 213 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yaj n SER 214 N 0.92 0.13 -4.74 1.61 2.88 -0.06 -4.98 113.62 109.38 1yaj n SER 214 Ca 0.19 -2.28 -0.41 0.00 -1.33 0.00 0.00 58.87 55.04 1yaj n SER 214 Cb 0.61 0.08 -0.05 0.00 -0.75 0.00 0.00 64.21 64.11 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 -1.92 4.22 -0.15 2.46 1.01 -1.26 -3.08 120.40 121.69 1yaj s VAL 215 Ca 0.21 1.96 0.00 0.00 0.00 0.00 0.00 61.98 64.15 1yaj s VAL 215 Cb 0.40 -4.25 0.02 0.00 0.00 0.00 0.00 36.38 32.55 1yaj s VAL 215 CO -0.06 0.36 -0.13 -0.89 0.00 0.00 0.00 175.10 174.37 1yaj s THR 216 N -0.39 1.51 -0.14 3.92 2.01 -0.38 0.07 115.64 122.24 1yaj s THR 216 Ca 0.46 -0.60 -0.08 0.00 0.31 0.00 0.00 61.69 61.78 1yaj s THR 216 Cb -0.26 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 70.78 1yaj s THR 216 CO 0.32 0.44 0.14 0.27 -0.69 0.00 0.00 174.62 175.10 1yaj s ILE 217 N 1.51 5.48 0.01 1.82 -4.36 0.32 -1.27 121.20 124.71 1yaj s ILE 217 Ca 0.05 0.22 -0.13 0.00 -0.26 0.00 0.00 60.65 60.53 1yaj s ILE 217 Cb -0.13 -3.42 0.02 0.00 1.25 0.00 0.00 42.46 40.18 1yaj s ILE 217 CO -0.10 0.58 0.27 0.72 0.24 0.00 0.00 174.94 176.64 1yaj s PHE 218 N -0.72 -0.10 0.21 1.37 -0.71 -0.53 -0.56 117.98 116.93 1yaj s PHE 218 Ca 0.14 0.07 -0.22 0.00 -1.04 0.00 0.00 56.93 55.87 1yaj s PHE 218 Cb -0.12 0.06 0.05 0.00 -1.21 0.00 0.00 43.02 41.80 1yaj s PHE 218 CO 0.03 -0.41 0.68 0.20 -1.34 0.00 0.00 175.22 174.38 1yaj s GLY 219 N -1.61 -0.37 -0.02 1.99 0.00 -0.79 -0.11 107.32 106.41 1yaj s GLY 219 Ca -0.11 0.15 0.07 0.00 0.00 0.00 0.00 44.72 44.83 1yaj s GLY 219 CO 0.01 0.05 -0.23 1.85 0.00 0.00 0.00 173.10 174.78 1yaj s GLU 220 N -3.78 1.92 7.64 2.90 -6.30 -1.24 0.03 118.70 119.86 1yaj s GLU 220 Ca 0.06 -0.82 0.00 0.00 -2.50 0.00 0.00 54.97 51.71 1yaj s GLU 220 Cb -0.03 -1.82 0.00 0.00 0.00 0.00 0.00 34.13 32.28 1yaj s GLU 220 CO -0.03 0.47 0.00 0.45 0.02 0.00 0.00 175.26 176.17 1yaj n SER 221 N 2.58 0.00 -0.02 -1.70 2.88 0.04 -1.34 113.62 116.06 1yaj n SER 221 Ca -0.16 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.52 1yaj n SER 221 Cb 0.52 0.00 0.56 0.00 -0.75 0.00 0.00 64.21 64.54 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 -0.92 2.13 -0.25 -1.46 0.00 -1.87 0.65 119.26 117.54 1yaj h ALA 222 Ca 0.00 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 1yaj h ALA 222 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1yaj h ALA 222 CO 0.00 -0.25 -0.59 0.78 0.00 0.00 0.00 179.25 179.19 1yaj h GLY 223 N 0.26 0.88 0.90 0.00 0.00 -1.29 0.13 103.07 103.96 1yaj h GLY 223 Ca 0.24 -1.06 0.04 0.00 0.00 0.00 0.00 47.33 46.54 1yaj h GLY 223 CO -0.05 0.95 0.65 -1.33 0.00 0.00 0.00 176.54 176.76 1yaj h GLY 224 N 0.75 1.44 0.46 4.60 0.00 0.12 0.20 103.07 110.63 1yaj h GLY 224 Ca 0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 1yaj h GLY 224 CO 0.12 0.42 -0.01 -2.09 0.00 0.00 0.00 176.54 174.98 1yaj h GLU 225 N 1.24 -0.03 -0.53 4.80 4.22 -0.24 -2.53 114.58 121.52 1yaj h GLU 225 Ca 0.39 0.00 0.11 0.00 0.08 0.00 0.00 59.36 59.94 1yaj h GLU 225 Cb 0.01 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.17 1yaj h GLU 225 CO -0.12 0.49 -0.08 0.77 -2.18 0.00 0.00 179.01 177.89 1yaj h SER 226 N -0.57 -0.38 0.02 1.04 0.02 -0.28 -0.89 113.55 112.50 1yaj h SER 226 Ca -0.00 0.15 0.01 0.00 -0.84 0.00 0.00 61.79 61.10 1yaj h SER 226 Cb 0.54 0.29 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 1yaj h SER 226 CO 0.01 -0.14 -0.17 0.58 -1.14 0.00 0.00 176.83 175.97 1yaj h VAL 227 N 0.05 0.00 -0.99 2.27 2.07 -0.57 -0.43 116.25 118.64 1yaj h VAL 227 Ca 0.26 0.00 0.31 0.00 0.82 0.00 0.00 66.70 68.09 1yaj h VAL 227 Cb 0.41 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.99 1yaj h VAL 227 CO -0.50 0.00 0.14 -0.24 0.02 0.00 0.00 177.57 176.98 1yaj n SER 228 N -3.43 -0.01 -0.09 0.57 2.88 -0.69 0.01 113.62 112.86 1yaj n SER 228 Ca -0.02 1.68 -0.08 0.00 -1.33 0.00 0.00 58.87 59.12 1yaj n SER 228 Cb 0.13 -0.66 -0.00 0.00 -0.75 0.00 0.00 64.21 62.93 1yaj n SER 228 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1yaj h VAL 229 N 0.00 1.01 -0.04 2.46 2.07 0.18 -2.11 116.25 119.83 1yaj h VAL 229 Ca 0.66 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 68.02 1yaj h VAL 229 Cb 1.47 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 1yaj h VAL 229 CO -0.90 0.07 -0.14 -0.07 0.02 0.00 0.00 177.57 176.55 1yaj h LEU 230 N 0.36 0.05 -1.20 2.57 3.38 0.11 0.60 115.31 121.18 1yaj h LEU 230 Ca 0.13 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1yaj h LEU 230 Cb 0.03 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1yaj h LEU 230 CO -0.08 0.21 0.22 0.58 0.09 0.00 0.00 178.44 179.46 1yaj h VAL 231 N 0.06 1.20 0.10 1.22 2.07 -0.57 -3.11 116.25 117.21 1yaj h VAL 231 Ca 0.01 -0.61 -0.27 0.00 0.82 0.00 0.00 66.70 66.66 1yaj h VAL 231 Cb 0.29 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1yaj h VAL 231 CO 0.02 0.24 -1.39 -0.07 0.02 0.00 0.00 177.57 176.39 1yaj h LEU 232 N 0.77 0.33 -9.40 2.57 3.38 -0.90 -3.47 115.31 108.58 1yaj h LEU 232 Ca 0.19 -0.83 -0.62 0.00 0.09 0.00 0.00 57.88 56.71 1yaj h LEU 232 Cb 0.15 -0.11 0.05 0.00 0.09 0.00 0.00 40.66 40.84 1yaj h LEU 232 CO -0.02 1.60 0.75 -0.24 0.09 0.00 0.00 178.44 180.62 1yaj n SER 233 N -3.97 2.73 0.28 -0.43 2.88 0.20 -4.87 113.62 110.44 1yaj n SER 233 Ca -0.26 1.08 0.17 0.00 -1.33 0.00 0.00 58.87 58.53 1yaj n SER 233 Cb 0.87 -1.35 0.80 0.00 -0.75 0.00 0.00 64.21 63.78 1yaj n SER 233 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1yaj h PRO 234 N 6.00 0.00 0.00 -1.46 0.11 -1.86 -2.49 132.00 132.30 1yaj h PRO 234 Ca -0.46 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1yaj h PRO 234 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 1yaj h PRO 234 CO 0.87 0.04 -0.14 -0.07 -0.21 0.00 0.00 178.00 178.49 1yaj h LEU 235 N 0.00 0.00 0.00 2.35 3.38 -1.84 -2.87 115.31 116.33 1yaj h LEU 235 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1yaj h LEU 235 Cb 0.39 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1yaj h LEU 235 CO 0.01 0.14 -0.23 0.00 0.09 0.00 0.00 178.44 178.45 1yaj h ALA 236 N 1.86 0.88 -0.85 1.53 0.00 -1.68 -3.47 119.26 117.52 1yaj h ALA 236 Ca -0.00 -0.09 -0.68 0.00 0.00 0.00 0.00 54.91 54.14 1yaj h ALA 236 Cb 0.66 -0.01 0.04 0.00 0.00 0.00 0.00 17.79 18.48 1yaj h ALA 236 CO 0.02 0.12 0.10 1.17 0.00 0.00 0.00 179.25 180.66 1yaj n LYS 237 N -3.06 0.00 -1.15 0.00 4.81 -1.09 -0.67 118.16 117.00 1yaj n LYS 237 Ca 0.03 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.42 1yaj n LYS 237 Cb 0.57 -1.28 -0.02 0.00 0.02 0.00 0.00 35.03 34.32 1yaj n LYS 237 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1yaj n ASN 238 N 1.47 -4.86 0.02 3.14 3.02 -1.26 -4.84 115.26 111.94 1yaj n ASN 238 Ca 0.18 0.13 0.11 0.00 -0.03 0.00 0.00 54.58 54.97 1yaj n ASN 238 Cb 0.06 -2.83 -0.12 0.00 -0.61 0.00 0.00 39.78 36.28 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 -0.60 0.23 -4.15 3.41 4.77 0.15 -4.99 117.00 115.83 1yaj n LEU 239 Ca -0.05 0.08 -0.15 0.00 -0.03 0.00 0.00 56.01 55.86 1yaj n LEU 239 Cb 0.38 -0.02 -0.07 0.00 -2.33 0.00 0.00 43.42 41.39 1yaj n LEU 239 CO 0.08 -0.04 -0.00 0.72 -1.33 0.00 0.00 177.39 176.82 1yaj s PHE 240 N -3.47 1.17 0.00 -1.77 -0.71 -1.26 -4.83 117.98 107.11 1yaj s PHE 240 Ca -0.06 -1.33 0.00 0.00 -1.04 0.00 0.00 56.93 54.50 1yaj s PHE 240 Cb 0.13 -0.31 0.00 0.00 -1.21 0.00 0.00 43.02 41.63 1yaj s PHE 240 CO 0.88 -0.94 0.02 0.72 -1.34 0.00 0.00 175.22 174.56 1yaj n HIS 241 N -0.49 0.00 -3.60 3.49 8.25 0.11 -4.91 115.22 118.08 1yaj n HIS 241 Ca 0.03 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.33 1yaj n HIS 241 Cb 0.63 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.67 1yaj n HIS 241 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1yaj s ARG 242 N -0.05 0.91 0.01 -0.41 0.52 -1.09 -4.17 118.95 114.68 1yaj s ARG 242 Ca 0.00 0.70 0.00 0.00 -0.52 0.00 0.00 55.73 55.91 1yaj s ARG 242 Cb 0.00 0.44 -0.01 0.00 0.52 0.00 0.00 34.95 35.89 1yaj s ARG 242 CO 0.00 -0.18 -0.02 0.00 0.02 0.00 0.00 175.30 175.11 1yaj s ALA 243 N -0.23 0.10 -0.15 2.13 0.00 -1.05 -0.52 121.76 122.04 1yaj s ALA 243 Ca -0.04 -0.37 -0.02 0.00 0.00 0.00 0.00 51.96 51.53 1yaj s ALA 243 Cb -0.03 0.08 0.05 0.00 0.00 0.00 0.00 23.12 23.22 1yaj s ALA 243 CO 0.04 -0.09 -0.00 0.42 0.00 0.00 0.00 175.76 176.13 1yaj s ILE 244 N -0.89 0.66 -0.20 0.00 1.01 0.27 -1.88 121.20 120.17 1yaj s ILE 244 Ca -0.09 -0.39 -0.14 0.00 0.00 0.00 0.00 60.65 60.03 1yaj s ILE 244 Cb -0.06 -0.97 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 1yaj s ILE 244 CO -0.01 0.02 0.29 -0.44 0.00 0.00 0.00 174.94 174.81 1yaj s SER 245 N 1.82 6.34 -0.29 3.58 0.01 -0.64 -1.88 113.70 122.64 1yaj s SER 245 Ca 0.01 0.39 -0.02 0.00 1.31 0.00 0.00 55.95 57.64 1yaj s SER 245 Cb -0.15 -2.18 0.04 0.00 0.21 0.00 0.00 66.02 63.94 1yaj s SER 245 CO -0.07 0.03 -0.02 -1.61 0.41 0.00 0.00 173.24 171.98 1yaj s GLU 246 N 0.94 2.56 -1.15 12.44 2.02 0.10 -2.73 118.70 132.89 1yaj s GLU 246 Ca 0.15 -1.17 -0.10 0.00 0.02 0.00 0.00 54.97 53.87 1yaj s GLU 246 Cb -0.14 -3.13 -0.03 0.00 0.10 0.00 0.00 34.13 30.93 1yaj s GLU 246 CO 0.05 -0.55 0.83 0.43 0.02 0.00 0.00 175.26 176.04 1yaj n SER 247 N 4.64 -4.69 0.00 -0.19 7.64 -0.84 -0.78 113.62 119.41 1yaj n SER 247 Ca -0.14 -0.84 0.00 0.00 1.01 0.00 0.00 58.87 58.90 1yaj n SER 247 Cb 0.44 -4.29 0.00 0.00 -1.01 0.00 0.00 64.21 59.35 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 -1.46 3.04 3.42 0.23 0.00 -1.26 -3.05 105.19 106.10 1yaj n GLY 248 Ca -0.14 0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 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 0.26 1.61 0.24 -1.26 -2.98 118.33 116.21 1yaj n VAL 249 Ca 0.00 -2.48 0.16 0.00 -2.04 0.00 0.00 64.34 59.98 1yaj n VAL 249 Cb 0.00 1.02 0.59 0.00 -1.47 0.00 0.00 33.84 33.98 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 1.84 1.00 -0.19 2.33 0.00 -1.84 -2.38 119.26 120.03 1yaj h ALA 250 Ca -0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1yaj h ALA 250 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1yaj h ALA 250 CO 0.46 0.02 0.00 1.28 0.00 0.00 0.00 179.25 181.01 1yaj n LEU 251 N -3.11 1.03 -4.51 0.00 4.32 -1.26 -4.70 117.00 108.77 1yaj n LEU 251 Ca 0.01 -0.51 -0.42 0.00 -0.02 0.00 0.00 56.01 55.07 1yaj n LEU 251 Cb 0.35 -0.12 -0.03 0.00 -1.62 0.00 0.00 43.42 42.00 1yaj n LEU 251 CO 0.29 0.25 1.08 -0.89 -1.22 0.00 0.00 177.39 176.90 1yaj s THR 252 N -1.75 4.11 0.00 -5.08 2.01 -0.90 -4.91 115.64 109.12 1yaj s THR 252 Ca 0.15 -0.40 0.00 0.00 0.31 0.00 0.00 61.69 61.75 1yaj s THR 252 Cb 0.08 -4.85 0.00 0.00 0.01 0.00 0.00 72.50 67.73 1yaj s THR 252 CO 0.10 -1.70 0.19 -1.20 -0.69 0.00 0.00 174.62 171.33 1yaj n SER 253 N 8.30 0.00 -0.13 3.53 7.64 -1.26 -1.74 113.62 129.95 1yaj n SER 253 Ca 0.11 0.19 0.13 0.00 1.01 0.00 0.00 58.87 60.30 1yaj n SER 253 Cb 0.48 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.88 1yaj n SER 253 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1yaj n VAL 254 N -0.51 0.00 0.65 0.44 3.14 -1.26 0.17 118.33 120.95 1yaj n VAL 254 Ca 0.00 0.45 0.10 0.00 -2.96 0.00 0.00 64.34 61.93 1yaj n VAL 254 Cb 0.00 -0.79 -0.13 0.00 -1.06 0.00 0.00 33.84 31.86 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 -2.19 0.66 -3.95 6.55 4.77 -0.71 -4.73 117.00 117.39 1yaj n LEU 255 Ca 0.10 -0.33 -0.31 0.00 -0.03 0.00 0.00 56.01 55.44 1yaj n LEU 255 Cb 0.58 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.51 1yaj n LEU 255 CO 0.10 0.16 -0.39 -0.69 -1.33 0.00 0.00 177.39 175.24 1yaj s VAL 256 N -3.14 1.70 -0.30 4.08 1.01 0.44 -0.49 120.40 123.71 1yaj s VAL 256 Ca 0.03 -1.56 -0.18 0.00 0.00 0.00 0.00 61.98 60.26 1yaj s VAL 256 Cb 0.15 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 1yaj s VAL 256 CO 0.87 -0.28 0.52 -0.54 0.00 0.00 0.00 175.10 175.66 1yaj s LYS 257 N 1.27 3.88 -0.09 2.72 -0.14 -0.98 -4.79 119.74 121.61 1yaj s LYS 257 Ca -0.00 0.12 -0.06 0.00 -1.36 0.00 0.00 55.97 54.67 1yaj s LYS 257 Cb -0.19 -3.72 -0.04 0.00 -1.68 0.00 0.00 37.83 32.20 1yaj s LYS 257 CO -0.09 -0.48 0.14 0.15 -0.76 0.00 0.00 175.35 174.31 1yaj s LYS 258 N 2.37 3.41 0.00 1.68 1.02 -1.26 -4.59 119.74 122.38 1yaj s LYS 258 Ca 0.20 -0.19 0.00 0.00 0.02 0.00 0.00 55.97 56.00 1yaj s LYS 258 Cb -0.15 -3.15 0.00 0.00 -0.52 0.00 0.00 37.83 34.01 1yaj s LYS 258 CO 0.11 0.75 0.00 0.41 -0.92 0.00 0.00 175.35 175.70 1yaj n GLY 259 N 1.74 -0.63 3.58 -3.33 0.00 -1.26 -4.94 105.19 100.34 1yaj n GLY 259 Ca -0.18 -2.25 -0.41 0.00 0.00 0.00 0.00 46.02 43.18 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 -1.78 5.79 0.05 1.61 2.15 -1.26 -4.82 116.67 118.42 1yaj s ASP 260 Ca 0.00 0.69 0.28 0.00 0.43 0.00 0.00 52.55 53.95 1yaj s ASP 260 Cb 0.00 -2.53 1.07 0.00 -0.30 0.00 0.00 42.92 41.16 1yaj s ASP 260 CO 0.00 -1.90 1.85 1.33 -0.17 0.00 0.00 175.17 176.28 1yaj n VAL 261 N 7.18 0.14 -0.30 1.11 0.24 -1.26 -4.13 118.33 121.31 1yaj n VAL 261 Ca 0.19 -0.07 0.06 0.00 -2.04 0.00 0.00 64.34 62.48 1yaj n VAL 261 Cb 0.49 -0.46 0.15 0.00 -1.47 0.00 0.00 33.84 32.55 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 0.02 -0.72 7.34 1.63 -1.82 0.11 116.57 123.13 1yaj h LYS 262 Ca 0.00 -0.00 0.12 0.00 -0.85 0.00 0.00 60.65 59.91 1yaj h LYS 262 Cb 0.56 -0.01 -0.08 0.00 -0.60 0.00 0.00 32.23 32.10 1yaj h LYS 262 CO 0.00 0.02 0.32 -1.35 -3.45 0.00 0.00 179.45 174.98 1yaj h PRO 263 N 0.03 0.49 -0.22 1.90 0.11 -1.93 0.56 132.00 132.94 1yaj h PRO 263 Ca 0.44 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.47 1yaj h PRO 263 Cb 0.75 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.75 1yaj h PRO 263 CO -0.84 0.33 -0.06 1.25 -0.21 0.00 0.00 178.00 178.46 1yaj h LEU 264 N 0.51 0.44 0.02 2.35 6.46 -1.15 -1.33 115.31 122.60 1yaj h LEU 264 Ca 0.37 -0.38 0.02 0.00 -0.12 0.00 0.00 57.88 57.78 1yaj h LEU 264 Cb 0.49 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 40.27 1yaj h LEU 264 CO -0.33 0.71 -0.13 0.00 -0.62 0.00 0.00 178.44 178.07 1yaj h ALA 265 N 0.74 -0.17 -0.71 1.25 0.00 0.00 -1.87 119.26 118.50 1yaj h ALA 265 Ca 0.05 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.06 1yaj h ALA 265 Cb 0.53 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 1yaj h ALA 265 CO 0.02 -0.63 0.34 0.93 0.00 0.00 0.00 179.25 179.91 1yaj h GLU 266 N -0.23 0.55 0.51 0.00 5.08 0.14 -1.69 114.58 118.93 1yaj h GLU 266 Ca 0.04 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1yaj h GLU 266 Cb 0.28 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1yaj h GLU 266 CO -0.12 0.36 -0.24 0.37 -1.00 0.00 0.00 179.01 178.38 1yaj h GLN 267 N 0.56 -0.66 -1.01 2.33 4.15 -0.74 -0.89 115.11 118.86 1yaj h GLN 267 Ca 0.35 0.04 0.22 0.00 0.77 0.00 0.00 58.65 60.04 1yaj h GLN 267 Cb 0.40 0.15 -0.11 0.00 0.21 0.00 0.00 27.48 28.13 1yaj h GLN 267 CO -0.29 -0.43 0.61 0.82 -1.93 0.00 0.00 178.83 177.61 1yaj h ILE 268 N -0.70 0.62 0.49 2.39 2.04 -1.02 -0.01 117.51 121.32 1yaj h ILE 268 Ca -0.07 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 1yaj h ILE 268 Cb 0.53 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1yaj h ILE 268 CO 0.11 0.12 -0.24 0.00 0.00 0.00 0.00 178.15 178.15 1yaj h ALA 269 N 1.68 -0.66 -0.78 1.87 0.00 -0.85 -2.01 119.26 118.51 1yaj h ALA 269 Ca 0.61 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 55.47 1yaj h ALA 269 Cb 1.09 0.25 -0.09 0.00 0.00 0.00 0.00 17.79 19.05 1yaj h ALA 269 CO -0.41 -0.81 0.37 0.82 0.00 0.00 0.00 179.25 179.22 1yaj h ILE 270 N -0.78 0.75 -0.42 0.00 2.04 0.34 -0.36 117.51 119.08 1yaj h ILE 270 Ca -0.07 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1yaj h ILE 270 Cb 0.56 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1yaj h ILE 270 CO 0.11 0.10 0.27 0.74 0.00 0.00 0.00 178.15 179.37 1yaj h THR 271 N 0.57 1.11 -0.00 -0.27 2.02 -0.91 0.79 112.91 116.22 1yaj h THR 271 Ca 0.41 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.37 1yaj h THR 271 Cb 0.55 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1yaj h THR 271 CO -0.34 0.11 -0.15 0.00 0.37 0.00 0.00 175.52 175.50 1yaj n ALA 272 N -2.47 2.75 -1.65 6.16 0.00 -0.25 -4.93 120.51 120.12 1yaj n ALA 272 Ca 0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 53.44 53.26 1yaj n ALA 272 Cb 0.06 -1.35 0.01 0.00 0.00 0.00 0.00 19.45 18.17 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 1.44 0.64 3.04 0.00 0.00 0.27 -5.08 105.19 105.50 1yaj n GLY 273 Ca 0.09 -0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 1yaj n GLY 273 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj n LYS 275 N 2.92 -1.93 -1.29 0.00 5.02 -1.26 -4.17 118.16 117.44 1yaj n LYS 275 Ca -0.15 -0.53 0.03 0.00 -2.02 0.00 0.00 58.31 55.65 1yaj n LYS 275 Cb 0.56 -2.17 0.02 0.00 -0.02 0.00 0.00 35.03 33.42 1yaj n LYS 275 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1yaj n THR 276 N -4.76 0.03 -0.27 -0.18 -2.24 -1.26 -4.40 114.28 101.19 1yaj n THR 276 Ca 0.05 -0.84 0.06 0.00 -2.27 0.00 0.00 64.05 61.05 1yaj n THR 276 Cb 0.54 0.89 0.21 0.00 -2.10 0.00 0.00 70.33 69.87 1yaj n THR 276 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1yaj h THR 277 N 6.91 0.67 -3.26 4.28 2.02 -1.98 -3.43 112.91 118.12 1yaj h THR 277 Ca -0.18 -0.17 -0.09 0.00 0.77 0.00 0.00 66.41 66.74 1yaj h THR 277 Cb 1.79 0.12 -0.16 0.00 -1.74 0.00 0.00 68.15 68.16 1yaj h THR 277 CO 0.08 0.09 -0.21 0.42 0.37 0.00 0.00 175.52 176.28 1yaj s THR 278 N -5.99 0.08 0.23 3.16 -4.23 -1.26 -5.02 115.64 102.60 1yaj s THR 278 Ca -0.12 -0.64 -0.06 0.00 -1.18 0.00 0.00 61.69 59.68 1yaj s THR 278 Cb 0.21 -0.98 0.19 0.00 1.34 0.00 0.00 72.50 73.26 1yaj s THR 278 CO 0.77 -0.35 1.81 0.28 -0.54 0.00 0.00 174.62 176.59 1yaj h SER 279 N 3.08 0.63 -0.87 3.99 0.02 -1.96 0.08 113.55 118.51 1yaj h SER 279 Ca -0.32 0.04 0.18 0.00 -0.84 0.00 0.00 61.79 60.85 1yaj h SER 279 Cb 1.20 -0.08 -0.07 0.00 0.14 0.00 0.00 62.40 63.60 1yaj h SER 279 CO 0.46 0.38 0.57 0.00 -1.14 0.00 0.00 176.83 177.10 1yaj h ALA 280 N 1.41 2.08 0.00 3.77 0.00 -1.95 -2.04 119.26 122.53 1yaj h ALA 280 Ca 0.35 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 1yaj h ALA 280 Cb 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1yaj h ALA 280 CO -0.22 -0.35 -0.01 0.28 0.00 0.00 0.00 179.25 178.95 1yaj h VAL 281 N 0.48 1.73 -0.18 0.00 2.07 -1.43 -3.24 116.25 115.69 1yaj h VAL 281 Ca 0.45 -2.16 0.02 0.00 0.82 0.00 0.00 66.70 65.83 1yaj h VAL 281 Cb 1.00 3.20 -0.03 0.00 -1.52 0.00 0.00 31.29 33.94 1yaj h VAL 281 CO -0.18 0.56 -0.17 0.24 0.02 0.00 0.00 177.57 178.04 1yaj h MET 282 N -0.91 -0.07 -1.25 1.57 0.00 -0.71 0.23 114.93 113.79 1yaj h MET 282 Ca -0.00 0.01 0.40 0.00 0.00 0.00 0.00 59.70 60.11 1yaj h MET 282 Cb 0.93 0.02 -0.13 0.00 0.00 0.00 0.00 31.60 32.42 1yaj h MET 282 CO 0.00 -0.05 0.79 0.28 0.00 0.00 0.00 176.91 177.94 1yaj h VAL 283 N -0.08 0.19 0.37 -2.22 2.07 -1.55 0.46 116.25 115.49 1yaj h VAL 283 Ca 0.03 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1yaj h VAL 283 Cb 0.16 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 1yaj h VAL 283 CO -0.21 0.03 -0.18 -0.74 0.02 0.00 0.00 177.57 176.49 1yaj h HIS 284 N 0.14 -0.46 -0.79 1.57 6.17 -0.68 -2.96 115.15 118.14 1yaj h HIS 284 Ca 0.78 -0.01 0.08 0.00 0.71 0.00 0.00 60.37 61.93 1yaj h HIS 284 Cb 2.35 0.15 -0.05 0.00 2.52 0.00 0.00 27.41 32.38 1yaj h HIS 284 CO -0.01 -0.13 0.51 0.00 0.71 0.00 0.00 177.93 179.01 1yaj h LEU 286 N 0.77 0.00 -0.32 0.00 3.38 -0.75 -2.64 115.31 115.75 1yaj h LEU 286 Ca 0.35 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.14 1yaj h LEU 286 Cb 0.36 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1yaj h LEU 286 CO -0.13 0.20 -0.85 0.03 0.09 0.00 0.00 178.44 177.77 1yaj h ARG 287 N 0.00 0.11 0.00 1.13 3.08 -1.10 -2.72 114.38 114.88 1yaj h ARG 287 Ca -0.00 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1yaj h ARG 287 Cb 0.58 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1yaj h ARG 287 CO 0.03 0.89 0.00 1.04 -1.07 0.00 0.00 179.97 180.86 1yaj n GLN 288 N -3.62 0.12 -2.71 0.04 1.13 -1.01 -4.71 117.38 106.62 1yaj n GLN 288 Ca -0.02 0.25 -0.41 0.00 -1.94 0.00 0.00 57.00 54.87 1yaj n GLN 288 Cb 0.80 -1.68 -0.04 0.00 0.11 0.00 0.00 30.24 29.42 1yaj n GLN 288 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1yaj s LYS 289 N -3.12 4.67 0.72 -1.09 -0.14 -1.03 -5.02 119.74 114.72 1yaj s LYS 289 Ca 0.08 1.47 -0.11 0.00 -1.36 0.00 0.00 55.97 56.05 1yaj s LYS 289 Cb 0.12 -3.38 0.02 0.00 -1.68 0.00 0.00 37.83 32.91 1yaj s LYS 289 CO 0.43 0.16 1.08 0.95 -0.76 0.00 0.00 175.35 177.20 1yaj s THR 290 N 0.17 3.68 0.24 2.17 -4.23 -1.26 -4.81 115.64 111.60 1yaj s THR 290 Ca 0.48 0.57 -0.05 0.00 -1.18 0.00 0.00 61.69 61.52 1yaj s THR 290 Cb -0.23 -3.18 0.22 0.00 1.34 0.00 0.00 72.50 70.65 1yaj s THR 290 CO 0.30 -0.68 1.85 -0.08 -0.54 0.00 0.00 174.62 175.46 1yaj h GLU 291 N -0.77 0.92 -0.11 3.99 4.81 -1.95 0.13 114.58 121.61 1yaj h GLU 291 Ca -0.44 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1yaj h GLU 291 Cb 1.22 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 1yaj h GLU 291 CO 0.54 0.61 0.07 1.49 -0.73 0.00 0.00 179.01 181.00 1yaj h GLU 292 N 0.95 0.15 -0.53 1.92 4.57 -1.99 0.06 114.58 119.71 1yaj h GLU 292 Ca 0.39 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.56 1yaj h GLU 292 Cb 0.22 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 1yaj h GLU 292 CO -0.19 0.13 0.35 0.93 -1.18 0.00 0.00 179.01 179.05 1yaj h GLU 293 N 0.13 0.68 0.00 1.92 5.08 -1.47 -1.37 114.58 119.55 1yaj h GLU 293 Ca 0.04 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1yaj h GLU 293 Cb 0.01 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1yaj h GLU 293 CO -0.01 0.45 -0.46 -0.07 -1.00 0.00 0.00 179.01 177.92 1yaj h LEU 294 N 0.70 0.00 -0.25 1.33 3.38 -0.35 -2.96 115.31 117.16 1yaj h LEU 294 Ca 0.20 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.96 1yaj h LEU 294 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1yaj h LEU 294 CO -0.04 0.44 -0.79 0.25 0.09 0.00 0.00 178.44 178.39 1yaj h LEU 295 N 0.00 0.72 -1.24 1.67 5.85 -0.34 -1.31 115.31 120.65 1yaj h LEU 295 Ca -0.01 -0.49 -0.07 0.00 0.84 0.00 0.00 57.88 58.15 1yaj h LEU 295 Cb 1.34 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1yaj h LEU 295 CO 0.06 1.26 -0.28 -0.33 -0.34 0.00 0.00 178.44 178.81 1yaj h GLU 296 N 0.40 0.16 -0.20 1.25 5.08 -1.28 -1.59 114.58 118.39 1yaj h GLU 296 Ca -0.05 -0.05 -0.21 0.00 -1.00 0.00 0.00 59.36 58.05 1yaj h GLU 296 Cb 1.40 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.64 1yaj h GLU 296 CO 0.15 0.43 -0.68 1.15 -1.00 0.00 0.00 179.01 179.06 1yaj h THR 297 N 0.14 1.28 0.00 1.13 2.02 -1.34 -1.06 112.91 115.08 1yaj h THR 297 Ca 0.02 -1.87 0.00 0.00 0.77 0.00 0.00 66.41 65.33 1yaj h THR 297 Cb 0.57 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.84 1yaj h THR 297 CO 0.04 0.60 0.00 0.74 0.37 0.00 0.00 175.52 177.27 1yaj h THR 298 N 0.58 0.00 0.02 3.16 2.02 -0.70 0.18 112.91 118.16 1yaj h THR 298 Ca -0.03 -0.15 -0.26 0.00 0.77 0.00 0.00 66.41 66.75 1yaj h THR 298 Cb 1.31 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 68.66 1yaj h THR 298 CO 0.14 0.00 -1.41 0.18 0.37 0.00 0.00 175.52 174.81 1yaj n LEU 299 N -2.75 1.96 0.28 2.58 4.77 -0.65 -4.13 117.00 119.06 1yaj n LEU 299 Ca -0.01 0.39 0.14 0.00 -0.03 0.00 0.00 56.01 56.50 1yaj n LEU 299 Cb 0.14 -0.98 0.80 0.00 -2.33 0.00 0.00 43.42 41.04 1yaj n LEU 299 CO 0.19 0.36 1.02 0.11 -1.33 0.00 0.00 177.39 177.74 1yaj h LYS 300 N -0.87 0.00 0.00 3.23 1.57 -0.93 -1.19 116.57 118.39 1yaj h LYS 300 Ca -0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1yaj h LYS 300 Cb 1.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.72 1yaj h LYS 300 CO -0.18 0.08 0.00 -1.33 -0.57 0.00 0.00 179.45 177.45 1yaj n MET 301 N -3.64 0.84 -0.58 3.15 2.81 0.03 -4.94 117.12 114.78 1yaj n MET 301 Ca -0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 1yaj n MET 301 Cb 0.19 -1.05 0.00 0.00 -0.71 0.00 0.00 33.22 31.66 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 -0.55 0.00 0.07 0.03 5.02 -0.45 -4.88 118.16 117.40 1yaj n LYS 302 Ca 0.02 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.42 1yaj n LYS 302 Cb 0.01 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.00 1yaj n LYS 302 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1yaj n PHE 303 N 0.29 0.64 -0.08 2.13 0.99 -1.26 -4.67 117.46 115.50 1yaj n PHE 303 Ca 0.00 0.19 -0.18 0.00 -0.00 0.00 0.00 57.45 57.46 1yaj n PHE 303 Cb 0.00 -0.77 -0.06 0.00 -1.00 0.00 0.00 39.48 37.65 1yaj n PHE 303 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 1yaj n LEU 304 N -2.45 1.19 -4.56 4.37 7.94 -1.26 -4.08 117.00 118.15 1yaj n LEU 304 Ca -0.00 0.21 -0.46 0.00 -1.11 0.00 0.00 56.01 54.64 1yaj n LEU 304 Cb 0.53 -0.50 -0.05 0.00 0.53 0.00 0.00 43.42 43.94 1yaj n LEU 304 CO 0.41 0.34 1.77 -1.20 -1.11 0.00 0.00 177.39 177.61 1yaj n SER 305 N -3.76 2.94 -4.66 1.96 7.64 -1.26 -4.76 113.62 111.73 1yaj n SER 305 Ca -0.33 0.42 -0.46 0.00 1.01 0.00 0.00 58.87 59.51 1yaj n SER 305 Cb 0.73 -1.43 -0.04 0.00 -1.01 0.00 0.00 64.21 62.47 1yaj n SER 305 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1yaj n LEU 306 N 10.11 2.96 -4.57 -3.43 7.94 -1.23 -4.89 117.00 123.88 1yaj n LEU 306 Ca 0.32 1.11 -0.42 0.00 -1.11 0.00 0.00 56.01 55.91 1yaj n LEU 306 Cb 0.35 -1.41 -0.03 0.00 0.53 0.00 0.00 43.42 42.87 1yaj n LEU 306 CO 0.71 -0.45 1.08 -0.62 -1.11 0.00 0.00 177.39 177.00 1yaj s ASP 307 N 0.60 6.38 0.00 1.96 3.68 -1.26 -4.98 116.67 123.06 1yaj s ASP 307 Ca 0.75 -0.03 0.00 0.00 2.13 0.00 0.00 52.55 55.39 1yaj s ASP 307 Cb -0.69 -2.55 0.00 0.00 -1.45 0.00 0.00 42.92 38.23 1yaj s ASP 307 CO 0.44 -1.54 0.00 0.18 0.13 0.00 0.00 175.17 174.37 1yaj n LEU 308 N 8.58 0.00 -4.69 -1.34 4.77 -1.26 -4.75 117.00 118.31 1yaj n LEU 308 Ca 0.07 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.71 1yaj n LEU 308 Cb 0.49 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.70 1yaj n LEU 308 CO 0.71 0.00 0.77 0.00 -1.33 0.00 0.00 177.39 177.54 1yaj n GLN 309 N 0.00 0.31 0.00 3.23 0.00 -1.26 -4.89 117.38 114.77 1yaj n GLN 309 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 57.00 57.18 1yaj n GLN 309 Cb 0.00 -2.44 0.00 0.00 0.00 0.00 0.00 30.24 27.80 1yaj n GLN 309 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1yaj n GLY 310 N 0.62 2.06 3.58 2.61 0.00 -1.26 -4.94 105.19 107.87 1yaj n GLY 310 Ca 0.14 -2.08 -0.43 0.00 0.00 0.00 0.00 46.02 43.65 1yaj n GLY 310 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yaj s ASP 311 N 0.00 6.54 0.33 1.61 -1.08 -1.26 -4.91 116.67 117.90 1yaj s ASP 311 Ca 0.00 0.23 0.13 0.00 -0.52 0.00 0.00 52.55 52.38 1yaj s ASP 311 Cb 0.00 -2.51 1.00 0.00 -1.46 0.00 0.00 42.92 39.96 1yaj s ASP 311 CO 0.00 -1.21 1.69 -0.65 0.52 0.00 0.00 175.17 175.52 1yaj h PRO 312 N 9.23 0.43 -0.86 4.34 0.11 -1.90 -2.20 132.00 141.15 1yaj h PRO 312 Ca -0.24 -0.03 0.22 0.00 0.11 0.00 0.00 66.00 66.07 1yaj h PRO 312 Cb 1.07 -0.10 -0.14 0.00 0.11 0.00 0.00 31.00 31.94 1yaj h PRO 312 CO 1.10 0.28 0.20 0.00 -0.21 0.00 0.00 178.00 179.37 1yaj h ARG 313 N 0.44 0.19 -1.80 1.05 2.47 -1.91 -2.10 114.38 112.72 1yaj h ARG 313 Ca 0.69 -0.01 -0.74 0.00 -1.26 0.00 0.00 59.98 58.66 1yaj h ARG 313 Cb 1.48 -0.04 -0.27 0.00 -1.65 0.00 0.00 29.97 29.49 1yaj h ARG 313 CO -0.54 0.13 1.00 0.39 0.56 0.00 0.00 179.97 181.51 1yaj n GLU 314 N -5.24 2.72 -3.54 0.04 1.02 -0.83 -4.80 120.64 110.01 1yaj n GLU 314 Ca 0.20 -3.42 -0.28 0.00 -0.02 0.00 0.00 57.16 53.64 1yaj n GLU 314 Cb 0.64 -2.26 -0.11 0.00 -0.02 0.00 0.00 31.44 29.68 1yaj n GLU 314 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1yaj s SER 315 N -1.17 2.72 -0.26 1.62 0.01 -0.79 -4.96 113.70 110.87 1yaj s SER 315 Ca 0.55 -2.85 -0.29 0.00 1.31 0.00 0.00 55.95 54.67 1yaj s SER 315 Cb 0.45 -0.71 -0.02 0.00 0.21 0.00 0.00 66.02 65.95 1yaj s SER 315 CO -0.33 -0.22 1.66 -1.58 0.41 0.00 0.00 173.24 173.19 1yaj s GLN 316 N 0.19 3.65 0.31 12.44 2.00 -1.26 -4.68 119.66 132.29 1yaj s GLN 316 Ca 0.25 1.56 0.08 0.00 -2.00 0.00 0.00 55.36 55.25 1yaj s GLN 316 Cb -0.10 -4.08 0.49 0.00 0.80 0.00 0.00 33.01 30.11 1yaj s GLN 316 CO -0.10 -1.48 1.71 -1.00 -0.50 0.00 0.00 175.29 173.92 1yaj h PRO 317 N 11.36 0.15 -1.60 1.67 0.13 -1.83 -3.46 132.00 138.42 1yaj h PRO 317 Ca -0.33 -0.07 0.06 0.00 -0.87 0.00 0.00 66.00 64.78 1yaj h PRO 317 Cb 1.16 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.03 1yaj h PRO 317 CO 1.01 0.57 0.46 -0.48 -0.23 0.00 0.00 178.00 179.34 1yaj s LEU 318 N -8.12 -0.44 0.39 1.56 0.05 -1.26 -4.05 118.68 106.81 1yaj s LEU 318 Ca -0.04 0.82 -0.27 0.00 0.05 0.00 0.00 54.13 54.69 1yaj s LEU 318 Cb 0.13 1.88 -0.09 0.00 -2.05 0.00 0.00 46.19 46.06 1yaj s LEU 318 CO 0.76 -0.17 1.36 -0.76 -0.55 0.00 0.00 176.35 176.99 1yaj s LEU 319 N 0.08 4.26 0.00 1.48 1.43 -1.26 -4.92 118.68 119.74 1yaj s LEU 319 Ca 0.03 2.78 0.00 0.00 -1.03 0.00 0.00 54.13 55.91 1yaj s LEU 319 Cb -0.04 -3.81 0.00 0.00 0.03 0.00 0.00 46.19 42.37 1yaj s LEU 319 CO -0.05 -0.84 0.00 0.61 0.23 0.00 0.00 176.35 176.30 1yaj n GLY 320 N 0.64 4.10 3.63 -3.19 0.00 -1.26 -4.88 105.19 104.23 1yaj n GLY 320 Ca 0.03 -1.65 -0.46 0.00 0.00 0.00 0.00 46.02 43.93 1yaj n GLY 320 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1yaj n THR 321 N 0.00 0.89 -4.38 2.61 -1.04 0.36 -4.68 114.28 108.03 1yaj n THR 321 Ca 0.00 -0.22 -0.27 0.00 -2.04 0.00 0.00 64.05 61.52 1yaj n THR 321 Cb 0.00 -1.22 -0.08 0.00 -1.82 0.00 0.00 70.33 67.21 1yaj n THR 321 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1yaj s VAL 322 N -0.07 1.95 -0.79 12.58 1.01 -1.26 -2.32 120.40 131.50 1yaj s VAL 322 Ca 0.71 -1.83 -0.14 0.00 0.00 0.00 0.00 61.98 60.71 1yaj s VAL 322 Cb -0.73 -2.78 0.21 0.00 0.00 0.00 0.00 36.38 33.07 1yaj s VAL 322 CO 0.50 0.00 0.74 -0.63 0.00 0.00 0.00 175.10 175.71 1yaj s ILE 323 N -2.70 5.55 -2.62 2.22 -1.09 -1.26 -4.73 121.20 116.56 1yaj s ILE 323 Ca 0.32 -2.32 0.26 0.00 -2.23 0.00 0.00 60.65 56.68 1yaj s ILE 323 Cb 0.05 -4.46 0.43 0.00 -1.58 0.00 0.00 42.46 36.90 1yaj s ILE 323 CO 0.18 -1.02 1.56 -0.90 -1.23 0.00 0.00 174.94 173.53 1yaj n ASP 324 N 4.19 2.08 0.00 3.58 3.85 -1.24 -4.90 116.55 124.10 1yaj n ASP 324 Ca 0.10 -1.70 0.00 0.00 -0.71 0.00 0.00 54.79 52.48 1yaj n ASP 324 Cb 0.46 -0.03 0.00 0.00 -1.35 0.00 0.00 41.12 40.20 1yaj n ASP 324 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1yaj n GLY 325 N 1.24 1.66 0.03 6.12 0.00 0.01 -4.70 105.19 109.56 1yaj n GLY 325 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.72 0.22 0.08 1.61 2.81 -1.26 -4.32 117.12 114.53 1yaj n MET 326 Ca 0.00 0.34 -0.15 0.00 -1.81 0.00 0.00 57.70 56.07 1yaj n MET 326 Cb 0.00 -1.16 -0.08 0.00 -0.71 0.00 0.00 33.22 31.27 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 -0.47 0.58 -7.42 4.03 5.85 -1.94 -3.43 115.31 112.51 1yaj h LEU 327 Ca 0.00 -0.50 -0.51 0.00 0.84 0.00 0.00 57.88 57.70 1yaj h LEU 327 Cb 0.27 -0.18 -0.39 0.00 0.37 0.00 0.00 40.66 40.73 1yaj h LEU 327 CO 0.00 1.32 -0.77 -0.76 -0.34 0.00 0.00 178.44 177.89 1yaj s LEU 328 N -7.66 1.24 0.51 2.25 1.43 -1.26 -4.09 118.68 111.10 1yaj s LEU 328 Ca -0.06 -0.65 0.28 0.00 -1.03 0.00 0.00 54.13 52.67 1yaj s LEU 328 Cb 0.08 -0.68 1.36 0.00 0.03 0.00 0.00 46.19 46.98 1yaj s LEU 328 CO 0.88 -0.25 2.02 -0.07 0.23 0.00 0.00 176.35 179.16 1yaj h LEU 329 N 8.21 0.00 -7.55 1.79 3.38 -1.83 0.07 115.31 119.39 1yaj h LEU 329 Ca -0.19 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.88 1yaj h LEU 329 Cb 1.12 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.78 1yaj h LEU 329 CO 0.34 0.13 0.36 -1.59 0.09 0.00 0.00 178.44 177.78 1yaj s LYS 330 N -4.02 1.33 0.66 1.13 -2.85 -1.26 -4.63 119.74 110.09 1yaj s LYS 330 Ca -0.02 -0.67 -0.17 0.00 -1.00 0.00 0.00 55.97 54.11 1yaj s LYS 330 Cb 0.12 0.49 -0.10 0.00 -2.06 0.00 0.00 37.83 36.28 1yaj s LYS 330 CO 0.59 -0.60 0.08 0.25 0.10 0.00 0.00 175.35 175.76 1yaj n THR 331 N -0.42 0.89 0.13 3.79 -2.24 -1.26 -4.67 114.28 110.50 1yaj n THR 331 Ca -0.08 -0.46 -0.09 0.00 -2.27 0.00 0.00 64.05 61.15 1yaj n THR 331 Cb 0.61 -0.34 -0.05 0.00 -2.10 0.00 0.00 70.33 68.45 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 -0.26 -0.47 -0.87 -0.78 0.11 -2.00 -2.18 132.00 125.56 1yaj h PRO 332 Ca -0.44 0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.82 1yaj h PRO 332 Cb 1.39 0.11 -0.13 0.00 0.11 0.00 0.00 31.00 32.47 1yaj h PRO 332 CO 0.40 -0.31 -0.47 0.93 -0.21 0.00 0.00 178.00 178.33 1yaj h GLU 333 N -0.49 -0.07 -1.01 1.05 5.08 -1.90 0.38 114.58 117.62 1yaj h GLU 333 Ca -0.02 0.00 0.25 0.00 -1.00 0.00 0.00 59.36 58.59 1yaj h GLU 333 Cb 0.44 0.02 -0.12 0.00 0.50 0.00 0.00 28.75 29.59 1yaj h GLU 333 CO -0.07 -0.05 0.60 0.93 -1.00 0.00 0.00 179.01 179.43 1yaj h GLU 334 N -0.07 0.54 0.26 2.33 5.08 -1.87 -2.48 114.58 118.38 1yaj h GLU 334 Ca 0.23 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1yaj h GLU 334 Cb 0.53 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1yaj h GLU 334 CO -0.88 0.36 -0.13 -0.07 -1.00 0.00 0.00 179.01 177.29 1yaj h LEU 335 N 0.56 -0.30 0.00 1.33 3.38 0.38 -3.09 115.31 117.58 1yaj h LEU 335 Ca 0.64 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.41 1yaj h LEU 335 Cb 1.26 0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1yaj h LEU 335 CO -0.46 0.07 0.01 0.00 0.09 0.00 0.00 178.44 178.16 1yaj n GLN 336 N -5.10 0.00 0.07 1.13 10.64 -0.78 -1.70 117.38 121.63 1yaj n GLN 336 Ca -0.09 0.17 -0.15 0.00 -1.83 0.00 0.00 57.00 55.10 1yaj n GLN 336 Cb 0.25 -1.51 -0.06 0.00 -0.86 0.00 0.00 30.24 28.06 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 1.84 0.31 -2.33 2.61 0.00 -1.49 -3.46 119.26 116.74 1yaj h ALA 337 Ca 0.00 -0.72 -0.50 0.00 0.00 0.00 0.00 54.91 53.69 1yaj h ALA 337 Cb 0.03 -0.00 0.14 0.00 0.00 0.00 0.00 17.79 17.95 1yaj h ALA 337 CO 0.00 0.80 0.29 -2.00 0.00 0.00 0.00 179.25 178.34 1yaj s GLU 338 N -3.23 1.82 0.00 0.00 -6.30 -0.69 -5.00 118.70 105.29 1yaj s GLU 338 Ca -0.06 1.00 0.00 0.00 -2.50 0.00 0.00 54.97 53.41 1yaj s GLU 338 Cb 0.08 -1.86 0.00 0.00 0.00 0.00 0.00 34.13 32.35 1yaj s GLU 338 CO 0.88 -1.90 0.06 0.54 0.02 0.00 0.00 175.26 174.86 1yaj n ARG 339 N -3.68 2.42 -1.92 4.30 1.74 -1.26 -4.85 116.66 113.41 1yaj n ARG 339 Ca 0.08 -0.06 -0.37 0.00 -0.77 0.00 0.00 57.85 56.73 1yaj n ARG 339 Cb 0.54 -0.36 -0.02 0.00 -1.02 0.00 0.00 32.46 31.60 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 -0.36 7.58 -2.70 0.55 4.13 -1.26 -4.91 115.26 118.29 1yaj n ASN 340 Ca 0.00 -3.22 -0.15 0.00 1.68 0.00 0.00 54.58 52.89 1yaj n ASN 340 Cb 0.03 -1.31 -0.06 0.00 -1.54 0.00 0.00 39.78 36.91 1yaj n ASN 340 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1yaj n PHE 341 N 1.30 -0.59 -3.01 3.10 7.35 -1.26 -5.16 117.46 119.20 1yaj n PHE 341 Ca 0.58 -2.12 -0.34 0.00 -0.76 0.00 0.00 57.45 54.80 1yaj n PHE 341 Cb 0.33 0.22 -0.06 0.00 0.35 0.00 0.00 39.48 40.31 1yaj n PHE 341 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 1yaj s HIS 342 N -3.02 3.50 0.02 -5.13 5.04 -1.26 -5.09 115.29 109.35 1yaj s HIS 342 Ca 0.30 1.44 -0.02 0.00 -1.54 0.00 0.00 55.06 55.23 1yaj s HIS 342 Cb 0.01 -2.68 -0.02 0.00 0.04 0.00 0.00 32.58 29.93 1yaj s HIS 342 CO 0.21 0.15 0.02 0.95 -2.34 0.00 0.00 174.74 173.73 1yaj s THR 343 N -1.82 0.13 0.00 0.89 -4.23 -1.26 -5.04 115.64 104.30 1yaj s THR 343 Ca 0.52 -1.03 -0.14 0.00 -1.18 0.00 0.00 61.69 59.86 1yaj s THR 343 Cb -0.13 -0.57 0.02 0.00 1.34 0.00 0.00 72.50 73.16 1yaj s THR 343 CO 0.19 -0.57 0.29 0.68 -0.54 0.00 0.00 174.62 174.67 1yaj s VAL 344 N -1.99 0.07 -0.42 2.29 -7.23 -1.26 -5.03 120.40 106.83 1yaj s VAL 344 Ca -0.11 -0.56 -0.37 0.00 -1.81 0.00 0.00 61.98 59.13 1yaj s VAL 344 Cb -0.06 -0.68 -0.14 0.00 0.56 0.00 0.00 36.38 36.07 1yaj s VAL 344 CO -0.02 -0.31 2.20 -2.65 -0.31 0.00 0.00 175.10 174.01 1yaj n PRO 345 N 1.11 0.73 -4.25 4.82 -0.02 -1.26 -4.70 135.00 131.43 1yaj n PRO 345 Ca -0.21 0.19 -0.34 0.00 -2.02 0.00 0.00 63.50 61.12 1yaj n PRO 345 Cb 0.57 -2.17 -0.13 0.00 -0.02 0.00 0.00 33.50 31.75 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 7.09 2.96 -0.11 6.00 6.04 -0.92 -2.54 117.35 135.87 1yaj s TYR 346 Ca 1.13 -0.60 -0.01 0.00 0.04 0.00 0.00 57.07 57.63 1yaj s TYR 346 Cb -1.04 -2.01 -0.03 0.00 -1.04 0.00 0.00 41.96 37.84 1yaj s TYR 346 CO 0.53 -0.28 -0.05 1.41 -1.54 0.00 0.00 175.55 175.63 1yaj s MET 347 N 0.85 3.19 -0.03 4.97 -2.45 -0.79 -2.28 119.30 122.76 1yaj s MET 347 Ca -0.01 -0.53 0.00 0.00 -1.25 0.00 0.00 55.69 53.90 1yaj s MET 347 Cb -0.15 -2.75 0.03 0.00 1.25 0.00 0.00 34.83 33.21 1yaj s MET 347 CO 0.01 0.47 0.01 0.08 1.05 0.00 0.00 175.02 176.65 1yaj s VAL 348 N -0.28 0.10 0.11 10.11 1.01 0.15 -1.63 120.40 129.97 1yaj s VAL 348 Ca 0.04 0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 1yaj s VAL 348 Cb -0.13 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 1yaj s VAL 348 CO 0.02 0.12 0.06 -0.83 0.00 0.00 0.00 175.10 174.47 1yaj s GLY 349 N 1.01 0.79 0.33 4.51 0.00 -1.10 -2.62 107.32 110.23 1yaj s GLY 349 Ca -0.10 -1.33 0.04 0.00 0.00 0.00 0.00 44.72 43.33 1yaj s GLY 349 CO -0.02 -1.29 0.15 -0.26 0.00 0.00 0.00 173.10 171.67 1yaj s ILE 350 N -4.00 0.46 -0.03 0.90 -4.36 0.09 -1.99 121.20 112.26 1yaj s ILE 350 Ca 0.19 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.62 1yaj s ILE 350 Cb 0.07 -2.50 -0.03 0.00 1.25 0.00 0.00 42.46 41.26 1yaj s ILE 350 CO -0.02 0.00 -0.15 0.20 0.24 0.00 0.00 174.94 175.21 1yaj s ASN 351 N -3.44 3.94 0.25 4.36 0.02 -1.26 -0.03 114.94 118.79 1yaj s ASN 351 Ca 0.33 -0.24 -0.09 0.00 -1.02 0.00 0.00 52.86 51.83 1yaj s ASN 351 Cb 0.05 -0.78 0.39 0.00 0.02 0.00 0.00 41.25 40.92 1yaj s ASN 351 CO 0.17 0.33 1.46 1.17 0.02 0.00 0.00 177.10 180.25 1yaj n LYS 352 N 2.19 -0.11 -3.67 -0.60 3.00 -0.43 -3.13 118.16 115.40 1yaj n LYS 352 Ca -0.17 1.45 -0.29 0.00 -0.00 0.00 0.00 58.31 59.31 1yaj n LYS 352 Cb 0.52 -2.17 -0.12 0.00 0.00 0.00 0.00 35.03 33.26 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 -6.12 1.41 0.04 1.64 -0.21 0.19 -4.97 119.66 111.65 1yaj s GLN 353 Ca -0.14 -2.27 -0.25 0.00 0.02 0.00 0.00 55.36 52.72 1yaj s GLN 353 Cb 0.24 -2.32 -0.17 0.00 1.00 0.00 0.00 33.01 31.76 1yaj s GLN 353 CO 0.72 -1.24 1.48 0.93 -2.12 0.00 0.00 175.29 175.06 1yaj h GLU 354 N 6.24 -0.18 -1.11 2.91 4.39 -1.62 -2.74 114.58 122.46 1yaj h GLU 354 Ca 0.08 0.01 -0.24 0.00 0.34 0.00 0.00 59.36 59.56 1yaj h GLU 354 Cb 0.89 0.04 -0.13 0.00 -0.10 0.00 0.00 28.75 29.45 1yaj h GLU 354 CO 0.50 0.05 0.31 0.34 -1.16 0.00 0.00 179.01 179.05 1yaj n PHE 355 N -5.08 1.36 0.36 4.33 -0.00 -1.26 -3.34 117.46 113.82 1yaj n PHE 355 Ca -0.09 -1.25 -0.14 0.00 -0.00 0.00 0.00 57.45 55.97 1yaj n PHE 355 Cb 0.18 -0.63 -0.07 0.00 -0.00 0.00 0.00 39.48 38.96 1yaj n PHE 355 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1yaj h GLY 356 N 2.67 -0.98 0.00 7.13 0.00 -1.82 -3.45 103.07 106.61 1yaj h GLY 356 Ca 0.28 0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.97 1yaj h GLY 356 CO 0.53 -0.36 0.00 1.87 0.00 0.00 0.00 176.54 178.58 1yaj n TRP 357 N -5.22 -1.33 0.00 5.60 -0.00 -1.26 -4.93 117.44 110.30 1yaj n TRP 357 Ca -0.12 0.24 0.00 0.00 -0.00 0.00 0.00 57.50 57.63 1yaj n TRP 357 Cb 0.37 0.69 0.00 0.00 -0.00 0.00 0.00 31.31 32.37 1yaj n TRP 357 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.69 177.58 1yaj n LEU 358 N -2.91 0.00 -0.21 5.87 7.94 -1.26 -0.58 117.00 125.85 1yaj n LEU 358 Ca 0.00 0.57 -0.07 0.00 -1.11 0.00 0.00 56.01 55.40 1yaj n LEU 358 Cb 0.00 -0.13 -0.02 0.00 0.53 0.00 0.00 43.42 43.80 1yaj n LEU 358 CO 0.00 -0.13 0.59 0.40 -1.11 0.00 0.00 177.39 177.14 1yaj h ILE 359 N 0.00 0.12 -0.11 1.96 2.04 -1.93 -0.30 117.51 119.29 1yaj h ILE 359 Ca 0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 1yaj h ILE 359 Cb 0.00 0.12 -0.05 0.00 -0.74 0.00 0.00 36.82 36.15 1yaj h ILE 359 CO 0.00 0.00 -0.18 -0.65 0.00 0.00 0.00 178.15 177.32 1yaj h PRO 360 N -0.20 -0.23 -0.97 2.37 0.11 -1.82 0.10 132.00 131.35 1yaj h PRO 360 Ca 0.20 0.02 0.20 0.00 0.11 0.00 0.00 66.00 66.53 1yaj h PRO 360 Cb 0.56 0.05 -0.09 0.00 0.11 0.00 0.00 31.00 31.63 1yaj h PRO 360 CO -0.69 -0.15 0.62 1.98 -0.21 0.00 0.00 178.00 179.54 1yaj h MET 361 N -0.24 0.59 0.17 1.05 -1.53 0.07 0.16 114.93 115.20 1yaj h MET 361 Ca 0.09 -0.04 -0.01 0.00 -3.44 0.00 0.00 59.70 56.31 1yaj h MET 361 Cb 0.37 -0.13 0.00 0.00 -0.55 0.00 0.00 31.60 31.29 1yaj h MET 361 CO -0.25 0.39 -0.08 -0.07 0.14 0.00 0.00 176.91 177.04 1yaj h LEU 363 N 0.61 -0.19 0.00 3.39 3.38 0.62 -3.11 115.31 120.01 1yaj h LEU 363 Ca 0.54 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1yaj h LEU 363 Cb 1.05 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1yaj h LEU 363 CO -0.30 0.32 0.00 0.23 0.09 0.00 0.00 178.44 178.78 1yaj n MET 364 N -4.95 0.77 -3.74 1.13 2.81 0.19 -4.73 117.12 108.60 1yaj n MET 364 Ca -0.08 0.00 -0.24 0.00 -1.81 0.00 0.00 57.70 55.57 1yaj n MET 364 Cb 0.27 -1.23 0.04 0.00 -0.71 0.00 0.00 33.22 31.58 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 -0.73 -2.73 -4.66 7.83 7.64 0.42 -3.52 113.62 117.87 1yaj n SER 365 Ca 0.09 -0.77 -0.42 0.00 1.01 0.00 0.00 58.87 58.78 1yaj n SER 365 Cb 0.04 -4.16 0.00 0.00 -1.01 0.00 0.00 64.21 59.08 1yaj n SER 365 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yaj n TYR 366 N -4.45 1.82 -0.35 1.43 9.36 -0.31 -4.89 117.16 119.79 1yaj n TYR 366 Ca -0.17 0.55 0.25 0.00 3.32 0.00 0.00 57.90 61.84 1yaj n TYR 366 Cb 0.62 -2.33 0.51 0.00 -0.63 0.00 0.00 39.34 37.51 1yaj n TYR 366 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 1yaj h PRO 367 N 2.05 0.35 -6.01 2.98 0.11 -1.92 -3.42 132.00 126.13 1yaj h PRO 367 Ca -0.46 -0.02 -0.72 0.00 0.11 0.00 0.00 66.00 64.91 1yaj h PRO 367 Cb 1.31 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1yaj h PRO 367 CO 0.60 0.23 1.30 1.28 -0.21 0.00 0.00 178.00 181.20 1yaj n LEU 368 N -4.72 1.66 0.00 2.35 4.77 -1.26 -4.57 117.00 115.23 1yaj n LEU 368 Ca 0.28 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.87 1yaj n LEU 368 Cb 0.96 -1.11 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1yaj n LEU 368 CO 0.22 -0.71 0.00 -1.54 -1.33 0.00 0.00 177.39 174.03 1yaj n SER 369 N 8.30 0.00 0.05 -1.43 3.41 -1.26 -4.89 113.62 117.80 1yaj n SER 369 Ca 0.44 -1.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.16 1yaj n SER 369 Cb 0.12 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.17 1yaj n SER 369 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1yaj n GLU 370 N 0.00 0.33 0.00 4.33 -0.58 -1.26 -4.95 120.64 118.51 1yaj n GLU 370 Ca 0.00 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 1yaj n GLU 370 Cb 0.32 -1.67 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 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 1.33 1.93 3.29 0.62 0.00 -1.26 -5.00 105.19 106.10 1yaj n GLY 371 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1yaj n GLY 371 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yaj n GLN 372 N -2.00 0.86 -3.65 1.61 10.64 -1.26 -4.79 117.38 118.78 1yaj n GLN 372 Ca 0.00 -2.31 -0.14 0.00 -1.83 0.00 0.00 57.00 52.72 1yaj n GLN 372 Cb 0.00 2.53 -0.08 0.00 -0.86 0.00 0.00 30.24 31.83 1yaj n GLN 372 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1yaj s LEU 373 N 0.00 -0.33 0.27 2.61 2.96 -0.99 -4.87 118.68 118.34 1yaj s LEU 373 Ca 0.20 1.12 0.09 0.00 -0.22 0.00 0.00 54.13 55.33 1yaj s LEU 373 Cb -0.03 2.13 -0.04 0.00 0.50 0.00 0.00 46.19 48.75 1yaj s LEU 373 CO 0.15 -0.28 0.01 1.51 -1.32 0.00 0.00 176.35 176.42 1yaj s ASP 374 N 0.05 4.53 0.18 3.68 -4.77 -1.26 -4.16 116.67 114.92 1yaj s ASP 374 Ca -0.02 -0.67 -0.23 0.00 -3.30 0.00 0.00 52.55 48.33 1yaj s ASP 374 Cb -0.04 -0.82 0.10 0.00 -1.09 0.00 0.00 42.92 41.07 1yaj s ASP 374 CO 0.02 -0.03 1.57 1.56 0.70 0.00 0.00 175.17 178.99 1yaj h GLN 375 N 1.86 -0.15 -0.96 2.11 1.08 -1.98 0.58 115.11 117.65 1yaj h GLN 375 Ca -0.44 0.01 0.24 0.00 -1.45 0.00 0.00 58.65 57.01 1yaj h GLN 375 Cb 1.25 0.03 -0.13 0.00 -0.05 0.00 0.00 27.48 28.59 1yaj h GLN 375 CO 0.61 -0.10 0.50 -0.22 -0.95 0.00 0.00 178.83 178.67 1yaj h LYS 376 N -0.16 0.46 0.14 1.46 1.63 -2.00 0.97 116.57 119.07 1yaj h LYS 376 Ca 0.22 -0.03 -0.29 0.00 -0.85 0.00 0.00 60.65 59.71 1yaj h LYS 376 Cb 0.56 -0.10 0.01 0.00 -0.60 0.00 0.00 32.23 32.09 1yaj h LYS 376 CO -0.75 0.31 -1.31 1.15 -3.45 0.00 0.00 179.45 175.41 1yaj h THR 377 N 0.48 1.43 -0.46 1.00 2.02 -1.67 -3.26 112.91 112.45 1yaj h THR 377 Ca 0.62 -2.99 0.07 0.00 0.77 0.00 0.00 66.41 64.88 1yaj h THR 377 Cb 1.20 2.93 -0.06 0.00 -1.74 0.00 0.00 68.15 70.48 1yaj h THR 377 CO -0.51 0.88 0.10 0.00 0.37 0.00 0.00 175.52 176.35 1yaj h ALA 378 N 0.52 0.51 -0.87 6.16 0.00 0.13 0.45 119.26 126.17 1yaj h ALA 378 Ca -0.16 0.09 0.12 0.00 0.00 0.00 0.00 54.91 54.96 1yaj h ALA 378 Cb 2.00 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 19.84 1yaj h ALA 378 CO 0.21 -0.30 0.56 0.52 0.00 0.00 0.00 179.25 180.23 1yaj h MET 379 N 0.24 0.73 -0.06 0.00 2.07 -1.28 0.46 114.93 117.08 1yaj h MET 379 Ca 0.23 -0.04 -0.03 0.00 -2.07 0.00 0.00 59.70 57.78 1yaj h MET 379 Cb 0.29 -0.16 -0.00 0.00 -1.87 0.00 0.00 31.60 29.85 1yaj h MET 379 CO -0.29 0.48 -0.09 1.03 1.07 0.00 0.00 176.91 179.11 1yaj h SER 380 N 0.75 0.19 0.46 1.22 0.87 -0.62 -2.98 113.55 113.44 1yaj h SER 380 Ca 0.42 -0.52 -0.02 0.00 -1.23 0.00 0.00 61.79 60.44 1yaj h SER 380 Cb 0.58 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1yaj h SER 380 CO -0.19 0.67 -0.22 -0.07 -0.53 0.00 0.00 176.83 176.50 1yaj h LEU 381 N -0.29 -0.52 -1.95 2.23 3.38 0.35 -1.40 115.31 117.11 1yaj h LEU 381 Ca 0.01 0.01 0.38 0.00 0.09 0.00 0.00 57.88 58.37 1yaj h LEU 381 Cb 0.63 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.45 1yaj h LEU 381 CO 0.02 -0.09 0.95 0.25 0.09 0.00 0.00 178.44 179.65 1yaj h LEU 382 N -1.16 0.03 0.38 1.67 5.85 -0.26 0.36 115.31 122.18 1yaj h LEU 382 Ca -0.06 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1yaj h LEU 382 Cb 0.48 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1yaj h LEU 382 CO 0.10 -0.00 -0.18 -0.25 -0.34 0.00 0.00 178.44 177.77 1yaj h TRP 383 N 0.02 -0.47 0.00 1.25 -0.00 -1.51 -3.22 115.95 112.02 1yaj h TRP 383 Ca 0.64 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.52 1yaj h TRP 383 Cb 2.50 0.16 0.00 0.00 -0.00 0.00 0.00 29.16 31.82 1yaj h TRP 383 CO -0.00 -0.29 0.00 1.63 -0.00 0.00 0.00 178.44 179.78 1yaj n LYS 384 N -4.53 0.08 -0.20 2.65 5.02 0.63 -0.67 118.16 121.13 1yaj n LYS 384 Ca -0.06 0.23 0.09 0.00 -2.02 0.00 0.00 58.31 56.55 1yaj n LYS 384 Cb 0.20 -1.50 0.25 0.00 -0.02 0.00 0.00 35.03 33.97 1yaj n LYS 384 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1yaj n SER 385 N -1.28 2.55 -0.30 4.39 7.64 0.95 -4.46 113.62 123.11 1yaj n SER 385 Ca 0.02 -1.93 0.12 0.00 1.01 0.00 0.00 58.87 58.09 1yaj n SER 385 Cb 0.04 -0.27 0.28 0.00 -1.01 0.00 0.00 64.21 63.26 1yaj n SER 385 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1yaj h TYR 386 N 2.99 0.66 0.00 1.43 3.20 -1.02 0.22 116.97 124.45 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 0.67 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.79 1yaj h TYR 386 CO 0.27 0.00 0.00 -0.35 -1.64 0.00 0.00 178.16 176.44 1yaj n PRO 387 N -5.01 0.27 0.01 1.82 -0.04 -1.26 -0.42 135.00 130.36 1yaj n PRO 387 Ca 0.21 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.64 1yaj n PRO 387 Cb 0.60 -1.47 -0.01 0.00 -0.04 0.00 0.00 33.50 32.58 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 -0.97 1.21 -0.00 1.53 4.77 0.73 -4.66 117.00 119.61 1yaj n LEU 388 Ca 0.06 0.17 0.04 0.00 -0.03 0.00 0.00 56.01 56.25 1yaj n LEU 388 Cb 0.03 -0.41 -0.12 0.00 -2.33 0.00 0.00 43.42 40.59 1yaj n LEU 388 CO 0.05 -0.52 -0.61 1.33 -1.33 0.00 0.00 177.39 176.30 1yaj n VAL 389 N -3.68 0.66 -2.80 4.08 0.24 -0.90 -4.13 118.33 111.80 1yaj n VAL 389 Ca -0.05 -0.63 -0.11 0.00 -2.04 0.00 0.00 64.34 61.51 1yaj n VAL 389 Cb 0.20 -0.32 0.05 0.00 -1.47 0.00 0.00 33.84 32.30 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 -3.28 4.09 0.54 0.00 1.01 -1.26 -5.05 121.20 117.25 1yaj s ILE 391 Ca 0.29 -0.28 -0.21 0.00 0.00 0.00 0.00 60.65 60.45 1yaj s ILE 391 Cb -0.04 -2.83 -0.05 0.00 0.01 0.00 0.00 42.46 39.55 1yaj s ILE 391 CO 0.53 0.46 1.30 0.00 0.00 0.00 0.00 174.94 177.23 1yaj s ALA 392 N 0.63 2.80 0.16 9.38 0.00 -1.26 -4.76 121.76 128.72 1yaj s ALA 392 Ca -0.01 1.21 0.32 0.00 0.00 0.00 0.00 51.96 53.49 1yaj s ALA 392 Cb -0.14 -3.52 1.70 0.00 0.00 0.00 0.00 23.12 21.17 1yaj s ALA 392 CO 0.02 -1.22 1.99 -0.22 0.00 0.00 0.00 175.76 176.33 1yaj h LYS 393 N 1.48 0.00 0.00 0.00 3.64 -1.97 -1.33 116.57 118.39 1yaj h LYS 393 Ca -0.51 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 58.80 1yaj h LYS 393 Cb 1.29 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 1yaj h LYS 393 CO 0.57 0.00 -0.93 1.05 -2.27 0.00 0.00 179.45 177.87 1yaj h GLU 394 N 0.00 0.00 0.00 1.90 4.11 -2.02 -3.34 114.58 115.24 1yaj h GLU 394 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.29 1yaj h GLU 394 Cb 0.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1yaj h GLU 394 CO 0.00 0.18 -0.94 -0.07 0.07 0.00 0.00 179.01 178.25 1yaj h LEU 395 N 0.00 0.00 -0.82 3.06 3.38 -1.61 -3.38 115.31 115.95 1yaj h LEU 395 Ca -0.06 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.08 1yaj h LEU 395 Cb 1.26 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.86 1yaj h LEU 395 CO 0.03 0.59 -0.19 -0.38 0.09 0.00 0.00 178.44 178.58 1yaj n ILE 396 N -3.10 -0.34 0.00 1.22 2.08 -1.12 -1.12 119.36 116.98 1yaj n ILE 396 Ca -0.03 1.87 0.00 0.00 0.56 0.00 0.00 62.75 65.14 1yaj n ILE 396 Cb 0.80 -2.59 0.00 0.00 -0.75 0.00 0.00 39.64 37.10 1yaj n ILE 396 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 1yaj n PRO 397 N -5.32 0.00 -0.34 0.38 -0.02 -1.26 0.33 135.00 128.77 1yaj n PRO 397 Ca 0.14 0.18 0.35 0.00 -2.02 0.00 0.00 63.50 62.15 1yaj n PRO 397 Cb 0.42 -0.90 0.73 0.00 -0.02 0.00 0.00 33.50 33.73 1yaj n PRO 397 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1yaj h GLU 398 N 0.00 0.04 0.48 -0.52 4.81 -1.80 0.88 114.58 118.47 1yaj h GLU 398 Ca 0.00 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1yaj h GLU 398 Cb 0.00 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1yaj h GLU 398 CO 0.00 0.02 -0.23 0.00 -0.73 0.00 0.00 179.01 178.07 1yaj h ALA 399 N 1.42 -0.65 -0.91 2.92 0.00 -0.81 -2.61 119.26 118.62 1yaj h ALA 399 Ca 0.59 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.36 1yaj h ALA 399 Cb 2.26 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 20.24 1yaj h ALA 399 CO -0.04 -0.70 0.59 1.15 0.00 0.00 0.00 179.25 180.25 1yaj h THR 400 N -0.98 1.09 0.00 0.00 2.02 0.22 -3.24 112.91 112.02 1yaj h THR 400 Ca -0.07 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.75 1yaj h THR 400 Cb 0.59 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1yaj h THR 400 CO 0.11 0.19 0.00 1.21 0.37 0.00 0.00 175.52 177.40 1yaj n GLU 401 N -4.48 0.00 -0.52 6.66 4.07 -0.20 0.72 120.64 126.90 1yaj n GLU 401 Ca 0.13 0.52 0.42 0.00 -0.06 0.00 0.00 57.16 58.17 1yaj n GLU 401 Cb 0.17 -1.36 0.68 0.00 -0.06 0.00 0.00 31.44 30.87 1yaj n GLU 401 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1yaj n LYS 402 N -1.86 -0.02 -0.07 5.31 3.00 -0.99 0.90 118.16 124.44 1yaj n LYS 402 Ca 0.00 1.11 -0.06 0.00 -0.00 0.00 0.00 58.31 59.36 1yaj n LYS 402 Cb 0.00 -2.31 -0.02 0.00 0.00 0.00 0.00 35.03 32.70 1yaj n LYS 402 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1yaj n TYR 403 N -4.29 0.13 0.93 5.64 4.02 -1.11 -4.65 117.16 117.84 1yaj n TYR 403 Ca 0.39 0.06 0.14 0.00 -0.01 0.00 0.00 57.90 58.48 1yaj n TYR 403 Cb 1.61 -0.43 0.57 0.00 -0.02 0.00 0.00 39.34 41.08 1yaj n TYR 403 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1yaj n LEU 404 N -4.00 0.16 0.00 7.72 4.77 0.22 -3.49 117.00 122.38 1yaj n LEU 404 Ca -0.10 0.50 0.06 0.00 -0.03 0.00 0.00 56.01 56.44 1yaj n LEU 404 Cb 0.36 -0.46 0.35 0.00 -2.33 0.00 0.00 43.42 41.34 1yaj n LEU 404 CO 0.14 -0.03 0.60 0.61 -1.33 0.00 0.00 177.39 177.38 1yaj n GLY 405 N 1.47 -0.45 0.00 -0.72 0.00 0.26 -4.18 105.19 101.56 1yaj n GLY 405 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.24 -2.27 4.03 -0.02 0.00 -1.23 -4.91 105.19 100.56 1yaj n GLY 406 Ca 0.08 0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.27 2.09 -1.12 2.61 -4.23 -1.26 -5.01 115.64 108.45 1yaj s THR 407 Ca 0.00 -0.94 0.24 0.00 -1.18 0.00 0.00 61.69 59.80 1yaj s THR 407 Cb 0.00 -2.15 -0.06 0.00 1.34 0.00 0.00 72.50 71.63 1yaj s THR 407 CO 0.00 0.00 1.22 0.47 -0.54 0.00 0.00 174.62 175.77 1yaj n ASP 408 N -2.35 0.81 -4.69 3.99 8.00 -1.26 -4.91 116.55 116.13 1yaj n ASP 408 Ca 0.16 -0.65 -0.42 0.00 0.71 0.00 0.00 54.79 54.59 1yaj n ASP 408 Cb 0.62 0.53 -0.03 0.00 -0.02 0.00 0.00 41.12 42.22 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 -2.93 7.16 0.42 -2.24 2.15 -1.26 -4.95 116.67 115.01 1yaj s ASP 409 Ca 0.11 1.74 0.22 0.00 0.43 0.00 0.00 52.55 55.06 1yaj s ASP 409 Cb 0.17 -2.56 0.80 0.00 -0.30 0.00 0.00 42.92 41.02 1yaj s ASP 409 CO 0.74 -0.48 1.77 0.71 -0.17 0.00 0.00 175.17 177.75 1yaj h THR 410 N 4.93 0.62 -0.36 1.71 1.35 -1.91 -2.18 112.91 117.06 1yaj h THR 410 Ca -0.35 -1.27 -0.15 0.00 -0.55 0.00 0.00 66.41 64.08 1yaj h THR 410 Cb 1.17 1.85 -0.01 0.00 -1.73 0.00 0.00 68.15 69.44 1yaj h THR 410 CO 0.84 0.26 -0.37 0.58 -0.25 0.00 0.00 175.52 176.59 1yaj h VAL 411 N 0.00 1.28 0.00 6.82 2.07 -1.87 -2.52 116.25 122.03 1yaj h VAL 411 Ca -0.00 -1.54 -0.02 0.00 0.82 0.00 0.00 66.70 65.96 1yaj h VAL 411 Cb 0.83 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1yaj h VAL 411 CO 0.03 0.51 -0.29 0.11 0.02 0.00 0.00 177.57 177.95 1yaj h LYS 412 N 0.70 0.00 -0.33 1.57 1.57 -1.92 -3.21 116.57 114.95 1yaj h LYS 412 Ca 0.06 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.76 1yaj h LYS 412 Cb 0.94 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 1yaj h LYS 412 CO 0.09 0.09 -0.14 0.87 -0.57 0.00 0.00 179.45 179.79 1yaj h LYS 413 N 0.00 0.67 0.95 3.15 1.57 -1.21 -2.20 116.57 119.51 1yaj h LYS 413 Ca -0.01 -0.29 -0.05 0.00 -1.87 0.00 0.00 60.65 58.44 1yaj h LYS 413 Cb 1.08 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.38 1yaj h LYS 413 CO 0.01 0.87 -0.48 -0.22 -0.57 0.00 0.00 179.45 179.07 1yaj h LYS 414 N 0.44 -1.25 -1.07 3.15 3.64 -1.52 -0.76 116.57 119.20 1yaj h LYS 414 Ca 0.08 0.09 0.31 0.00 -1.27 0.00 0.00 60.65 59.86 1yaj h LYS 414 Cb 0.66 0.28 -0.13 0.00 -0.41 0.00 0.00 32.23 32.64 1yaj h LYS 414 CO 0.04 -0.84 0.65 -0.44 -2.27 0.00 0.00 179.45 176.60 1yaj h ASP 415 N -1.30 0.48 0.36 4.20 5.19 -1.57 0.85 116.42 124.63 1yaj h ASP 415 Ca -0.13 0.14 -0.20 0.00 -0.62 0.00 0.00 57.03 56.23 1yaj h ASP 415 Cb 1.00 0.09 -0.00 0.00 0.18 0.00 0.00 39.33 40.60 1yaj h ASP 415 CO 0.20 -0.05 -0.81 -0.07 -3.12 0.00 0.00 179.24 175.39 1yaj h LEU 416 N 0.35 0.43 -0.97 1.55 3.38 -1.16 -3.04 115.31 115.85 1yaj h LEU 416 Ca 0.70 -0.31 0.11 0.00 0.09 0.00 0.00 57.88 58.46 1yaj h LEU 416 Cb 1.71 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 42.25 1yaj h LEU 416 CO -0.47 1.08 0.60 0.15 0.09 0.00 0.00 178.44 179.89 1yaj h PHE 417 N 0.22 1.09 -0.39 1.13 3.57 0.22 0.95 116.94 123.74 1yaj h PHE 417 Ca -0.05 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 1yaj h PHE 417 Cb 1.41 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 1yaj h PHE 417 CO 0.04 0.45 -0.20 -0.07 -2.23 0.00 0.00 178.31 176.30 1yaj h LEU 418 N 0.98 0.78 -1.52 0.59 3.38 -1.39 -1.53 115.31 116.60 1yaj h LEU 418 Ca 0.47 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1yaj h LEU 418 Cb 0.43 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1yaj h LEU 418 CO -0.25 0.97 0.24 0.44 0.09 0.00 0.00 178.44 179.93 1yaj h ASP 419 N 0.68 0.50 0.20 -0.43 5.19 -0.78 -0.78 116.42 121.00 1yaj h ASP 419 Ca 0.10 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.47 1yaj h ASP 419 Cb 0.71 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.09 1yaj h ASP 419 CO 0.05 0.39 -0.10 0.25 -3.12 0.00 0.00 179.24 176.72 1yaj h LEU 420 N 0.58 -0.24 -0.87 1.55 7.12 -0.11 0.19 115.31 123.52 1yaj h LEU 420 Ca 0.15 0.01 0.19 0.00 0.13 0.00 0.00 57.88 58.36 1yaj h LEU 420 Cb -0.01 0.06 -0.11 0.00 -0.53 0.00 0.00 40.66 40.07 1yaj h LEU 420 CO -0.03 -0.16 0.40 0.40 -0.13 0.00 0.00 178.44 178.92 1yaj h ILE 421 N -0.27 0.56 -0.69 4.05 2.04 -1.24 -0.04 117.51 121.92 1yaj h ILE 421 Ca -0.03 -0.16 -0.07 0.00 1.00 0.00 0.00 64.86 65.60 1yaj h ILE 421 Cb 0.21 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.31 1yaj h ILE 421 CO 0.04 0.09 0.16 0.00 0.00 0.00 0.00 178.15 178.44 1yaj h ALA 422 N 1.65 0.91 -0.08 1.87 0.00 -1.10 -0.93 119.26 121.59 1yaj h ALA 422 Ca 0.52 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 1yaj h ALA 422 Cb 0.91 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1yaj h ALA 422 CO -0.47 0.64 -0.44 -0.44 0.00 0.00 0.00 179.25 178.54 1yaj h ASP 423 N 1.04 0.20 0.18 0.00 3.32 0.91 -1.34 116.42 120.72 1yaj h ASP 423 Ca 0.21 -0.09 -0.27 0.00 0.02 0.00 0.00 57.03 56.91 1yaj h ASP 423 Cb 0.38 -0.06 0.03 0.00 0.22 0.00 0.00 39.33 39.90 1yaj h ASP 423 CO 0.00 0.62 -1.16 0.58 -1.72 0.00 0.00 179.24 177.56 1yaj h VAL 424 N 0.16 1.37 -0.09 -1.35 2.07 -1.16 0.12 116.25 117.37 1yaj h VAL 424 Ca 0.01 -2.56 -0.03 0.00 0.82 0.00 0.00 66.70 64.95 1yaj h VAL 424 Cb 0.84 3.00 -0.00 0.00 -1.52 0.00 0.00 31.29 33.61 1yaj h VAL 424 CO 0.07 0.75 -0.06 0.24 0.02 0.00 0.00 177.57 178.59 1yaj h MET 425 N -0.01 0.19 0.00 1.57 2.86 -1.13 -3.40 114.93 115.01 1yaj h MET 425 Ca -0.19 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 1yaj h MET 425 Cb 1.89 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.55 1yaj h MET 425 CO 0.22 0.58 -0.95 1.19 1.06 0.00 0.00 176.91 179.01 1yaj n PHE 426 N -4.72 0.00 0.00 -0.22 3.01 -0.57 -4.67 117.46 110.29 1yaj n PHE 426 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.39 1yaj n PHE 426 Cb 0.28 0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.77 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 3.20 -3.51 0.12 1.37 0.00 -0.83 -0.57 105.19 104.97 1yaj n GLY 427 Ca 0.00 0.72 -0.10 0.00 0.00 0.00 0.00 46.02 46.64 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 1.07 -0.30 1.61 2.07 -1.02 -2.70 116.25 116.97 1yaj h VAL 428 Ca 0.00 -0.14 0.06 0.00 0.82 0.00 0.00 66.70 67.44 1yaj h VAL 428 Cb 0.00 0.74 -0.08 0.00 -1.52 0.00 0.00 31.29 30.43 1yaj h VAL 428 CO 0.00 0.07 -0.44 -0.65 0.02 0.00 0.00 177.57 176.57 1yaj h PRO 429 N 0.31 -0.38 -0.37 1.57 0.11 -1.74 -1.73 132.00 129.77 1yaj h PRO 429 Ca 0.09 0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.28 1yaj h PRO 429 Cb -0.02 0.09 -0.05 0.00 0.11 0.00 0.00 31.00 31.13 1yaj h PRO 429 CO -0.02 -0.26 0.09 0.77 -0.21 0.00 0.00 178.00 178.37 1yaj h SER 430 N -0.40 0.04 0.12 -2.05 0.02 -0.75 -1.91 113.55 108.63 1yaj h SER 430 Ca 0.11 0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.13 1yaj h SER 430 Cb 0.60 0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.17 1yaj h SER 430 CO -0.51 0.06 -0.40 0.58 -1.14 0.00 0.00 176.83 175.42 1yaj h VAL 431 N 0.22 0.19 -0.51 2.27 2.07 -1.11 -1.22 116.25 118.16 1yaj h VAL 431 Ca 0.18 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.80 1yaj h VAL 431 Cb 0.19 0.19 -0.10 0.00 -1.52 0.00 0.00 31.29 30.06 1yaj h VAL 431 CO -0.22 0.00 -0.14 0.40 0.02 0.00 0.00 177.57 177.63 1yaj h ILE 432 N -0.63 0.47 -0.52 4.57 2.04 -1.05 0.12 117.51 122.52 1yaj h ILE 432 Ca 0.02 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.97 1yaj h ILE 432 Cb 0.66 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 1yaj h ILE 432 CO -0.23 0.00 0.35 0.58 0.00 0.00 0.00 178.15 178.85 1yaj h VAL 433 N -0.02 0.91 0.19 1.67 2.07 -0.99 0.81 116.25 120.89 1yaj h VAL 433 Ca 0.24 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 1yaj h VAL 433 Cb 0.39 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1yaj h VAL 433 CO -0.53 0.06 -0.09 0.00 0.02 0.00 0.00 177.57 177.03 1yaj h ALA 434 N 1.73 -0.25 -0.20 1.67 0.00 0.37 -2.88 119.26 119.70 1yaj h ALA 434 Ca 0.24 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.98 1yaj h ALA 434 Cb 0.49 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 1yaj h ALA 434 CO -0.06 -0.35 -0.31 0.00 0.00 0.00 0.00 179.25 178.53 1yaj h ARG 435 N -0.84 -0.33 -0.65 0.00 3.08 -0.09 0.27 114.38 115.81 1yaj h ARG 435 Ca -0.03 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.12 1yaj h ARG 435 Cb 0.52 0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.58 1yaj h ARG 435 CO 0.04 -0.22 0.34 -0.91 -1.07 0.00 0.00 179.97 178.15 1yaj h ASN 436 N -0.34 0.48 0.56 7.04 -0.26 -0.98 0.30 115.58 122.38 1yaj h ASN 436 Ca 0.12 0.04 -0.06 0.00 -0.56 0.00 0.00 56.30 55.84 1yaj h ASN 436 Cb 0.53 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.74 1yaj h ASN 436 CO -0.40 0.30 -0.28 -0.74 -1.06 0.00 0.00 177.43 175.25 1yaj h HIS 437 N 0.62 0.00 0.20 1.19 2.76 -1.16 0.44 115.15 119.20 1yaj h HIS 437 Ca 0.30 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.46 1yaj h HIS 437 Cb 0.25 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.21 1yaj h HIS 437 CO -0.10 0.28 -0.10 -0.09 -1.30 0.00 0.00 177.93 176.63 1yaj h ARG 438 N 0.00 -0.26 -0.07 5.26 2.43 0.21 -3.13 114.38 118.81 1yaj h ARG 438 Ca -0.00 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.12 1yaj h ARG 438 Cb 0.64 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 1yaj h ARG 438 CO 0.04 0.11 -0.27 -0.44 -1.51 0.00 0.00 179.97 177.89 1yaj h ASP 439 N -0.71 0.12 0.00 -3.80 3.32 -0.22 -2.23 116.42 112.91 1yaj h ASP 439 Ca -0.03 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1yaj h ASP 439 Cb 0.49 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1yaj h ASP 439 CO 0.05 0.40 0.27 0.00 -1.72 0.00 0.00 179.24 178.23 1yaj h ALA 440 N 1.62 1.23 -0.84 3.45 0.00 -0.06 -3.44 119.26 121.21 1yaj h ALA 440 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1yaj h ALA 440 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1yaj h ALA 440 CO 0.04 -0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.47 1yaj n GLY 441 N -1.24 0.49 3.37 0.00 0.00 -0.84 -4.96 105.19 102.00 1yaj n GLY 441 Ca -0.02 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.87 -1.24 0.31 4.61 0.00 -1.24 -5.02 121.76 117.32 1yaj s ALA 442 Ca 0.00 0.45 -0.27 0.00 0.00 0.00 0.00 51.96 52.15 1yaj s ALA 442 Cb 0.00 0.45 -0.14 0.00 0.00 0.00 0.00 23.12 23.43 1yaj s ALA 442 CO 0.00 -0.53 0.91 -2.30 0.00 0.00 0.00 175.76 173.84 1yaj n PRO 443 N 0.29 1.15 -3.62 0.00 -0.02 -1.26 -4.48 135.00 127.06 1yaj n PRO 443 Ca -0.18 0.40 -0.14 0.00 -2.02 0.00 0.00 63.50 61.57 1yaj n PRO 443 Cb 0.61 -1.76 -0.07 0.00 -0.02 0.00 0.00 33.50 32.26 1yaj n PRO 443 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1yaj s THR 444 N -1.13 0.00 0.01 3.45 2.01 -1.26 -2.17 115.64 116.55 1yaj s THR 444 Ca 0.60 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 62.57 1yaj s THR 444 Cb -0.69 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 70.81 1yaj s THR 444 CO 0.59 0.00 0.05 -0.31 -0.69 0.00 0.00 174.62 174.26 1yaj s TYR 445 N 0.23 0.15 0.15 4.92 2.02 -0.97 -0.19 117.35 123.66 1yaj s TYR 445 Ca -0.00 -0.32 0.05 0.00 -0.37 0.00 0.00 57.07 56.42 1yaj s TYR 445 Cb -0.05 -0.12 -0.04 0.00 -0.40 0.00 0.00 41.96 41.35 1yaj s TYR 445 CO 0.01 -0.23 -0.11 -1.64 -1.57 0.00 0.00 175.55 172.01 1yaj s MET 446 N -1.37 1.07 0.03 -0.62 -1.94 -1.25 -0.67 119.30 114.54 1yaj s MET 446 Ca -0.15 -1.44 -0.20 0.00 -1.71 0.00 0.00 55.69 52.19 1yaj s MET 446 Cb -0.09 -0.67 0.04 0.00 2.01 0.00 0.00 34.83 36.13 1yaj s MET 446 CO 0.00 0.09 0.46 1.52 -0.01 0.00 0.00 175.02 177.08 1yaj s TYR 447 N -3.21 -0.34 -0.31 -0.03 1.13 -1.08 -0.60 117.35 112.92 1yaj s TYR 447 Ca 0.16 0.39 0.01 0.00 -1.41 0.00 0.00 57.07 56.23 1yaj s TYR 447 Cb 0.02 0.26 0.09 0.00 -1.10 0.00 0.00 41.96 41.23 1yaj s TYR 447 CO 0.01 -0.57 0.06 -2.00 -2.51 0.00 0.00 175.55 170.54 1yaj s GLU 448 N -2.18 1.11 -0.21 -3.49 2.12 0.70 -0.73 118.70 116.02 1yaj s GLU 448 Ca -0.07 -1.33 -0.29 0.00 0.36 0.00 0.00 54.97 53.64 1yaj s GLU 448 Cb -0.01 -2.51 -0.03 0.00 0.26 0.00 0.00 34.13 31.83 1yaj s GLU 448 CO 0.00 -0.91 1.77 0.12 -0.54 0.00 0.00 175.26 175.70 1yaj s PHE 449 N 1.34 1.83 -0.57 5.30 5.36 0.96 -2.63 117.98 129.56 1yaj s PHE 449 Ca 0.08 0.45 0.04 0.00 -0.96 0.00 0.00 56.93 56.54 1yaj s PHE 449 Cb -0.18 -4.03 0.15 0.00 -0.34 0.00 0.00 43.02 38.61 1yaj s PHE 449 CO -0.16 -3.39 0.34 -1.14 -1.46 0.00 0.00 175.22 169.42 1yaj s GLN 450 N 5.06 2.05 -0.29 10.12 0.74 0.19 -1.32 119.66 136.21 1yaj s GLN 450 Ca 0.79 -2.80 -0.19 0.00 0.05 0.00 0.00 55.36 53.20 1yaj s GLN 450 Cb -0.27 -3.19 0.13 0.00 1.10 0.00 0.00 33.01 30.77 1yaj s GLN 450 CO 0.32 -1.19 0.98 -0.47 -0.55 0.00 0.00 175.29 174.39 1yaj s TYR 451 N -0.63 -0.56 -0.33 1.67 5.04 -1.26 -3.93 117.35 117.35 1yaj s TYR 451 Ca 0.20 1.20 -0.15 0.00 -2.44 0.00 0.00 57.07 55.88 1yaj s TYR 451 Cb -0.17 0.37 -0.02 0.00 0.35 0.00 0.00 41.96 42.49 1yaj s TYR 451 CO -0.06 -0.28 0.35 0.50 -1.34 0.00 0.00 175.55 174.72 1yaj s ARG 452 N 0.97 3.65 0.80 4.97 3.52 -1.26 -2.95 118.95 128.65 1yaj s ARG 452 Ca -0.05 -0.35 -0.11 0.00 -0.13 0.00 0.00 55.73 55.09 1yaj s ARG 452 Cb -0.04 -3.78 0.08 0.00 -1.56 0.00 0.00 34.95 29.65 1yaj s ARG 452 CO -0.12 -0.47 1.10 -1.25 -0.81 0.00 0.00 175.30 173.74 1yaj s PRO 453 N 2.01 2.00 0.16 5.12 0.04 -1.26 -4.99 135.00 138.08 1yaj s PRO 453 Ca 0.12 1.18 0.22 0.00 0.04 0.00 0.00 61.00 62.55 1yaj s PRO 453 Cb -0.16 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 1yaj s PRO 453 CO 0.11 -1.83 0.96 -1.13 0.04 0.00 0.00 177.00 175.15 1yaj n SER 454 N -3.65 0.75 -0.08 6.66 3.41 -1.26 -3.80 113.62 115.65 1yaj n SER 454 Ca 0.09 0.29 0.02 0.00 -0.26 0.00 0.00 58.87 59.01 1yaj n SER 454 Cb 0.53 0.61 0.07 0.00 -0.26 0.00 0.00 64.21 65.16 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 -2.65 0.05 -0.40 7.33 0.99 -1.26 -4.88 117.46 116.65 1yaj n PHE 455 Ca -0.01 -0.03 -0.30 0.00 -0.00 0.00 0.00 57.45 57.11 1yaj n PHE 455 Cb 0.58 0.00 0.28 0.00 -1.00 0.00 0.00 39.48 39.34 1yaj n PHE 455 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1yaj n SER 456 N -0.40 -3.74 -4.85 4.37 7.64 -1.25 -4.98 113.62 110.41 1yaj n SER 456 Ca 0.03 -0.93 -0.33 0.00 1.01 0.00 0.00 58.87 58.64 1yaj n SER 456 Cb 0.04 -0.99 -0.06 0.00 -1.01 0.00 0.00 64.21 62.19 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 -3.38 6.79 0.44 6.43 0.15 -1.26 -4.96 113.70 117.92 1yaj s SER 457 Ca 0.67 1.25 0.31 0.00 0.70 0.00 0.00 55.95 58.88 1yaj s SER 457 Cb -0.11 -2.36 1.38 0.00 -1.71 0.00 0.00 66.02 63.22 1yaj s SER 457 CO 0.55 -0.16 1.91 0.44 1.20 0.00 0.00 173.24 177.19 1yaj h ASP 458 N 2.44 0.00 -0.63 5.45 3.32 -1.97 -2.51 116.42 122.51 1yaj h ASP 458 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1yaj h ASP 458 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1yaj h ASP 458 CO 0.66 0.00 0.00 0.23 -1.72 0.00 0.00 179.24 178.41 1yaj n MET 459 N -2.70 2.50 -3.78 3.56 2.81 -1.26 -4.88 117.12 113.37 1yaj n MET 459 Ca 0.00 -2.29 -0.36 0.00 -1.81 0.00 0.00 57.70 53.24 1yaj n MET 459 Cb 0.21 -1.50 -0.12 0.00 -0.71 0.00 0.00 33.22 31.10 1yaj n MET 459 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1yaj s LYS 460 N -1.18 3.71 0.22 0.03 2.20 -0.95 -5.06 119.74 118.72 1yaj s LYS 460 Ca 0.43 -0.45 -0.32 0.00 -0.36 0.00 0.00 55.97 55.26 1yaj s LYS 460 Cb 0.22 -3.34 -0.13 0.00 -1.51 0.00 0.00 37.83 33.07 1yaj s LYS 460 CO 0.29 -0.13 1.49 -0.35 -0.36 0.00 0.00 175.35 176.28 1yaj n PRO 461 N 4.77 2.16 0.00 4.03 -0.04 -1.26 -4.81 135.00 139.85 1yaj n PRO 461 Ca -0.16 0.77 0.05 0.00 -0.04 0.00 0.00 63.50 64.12 1yaj n PRO 461 Cb 0.52 -2.48 0.24 0.00 -0.04 0.00 0.00 33.50 31.73 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 2.52 0.16 0.17 0.54 5.02 -1.26 -1.59 118.16 123.71 1yaj n LYS 462 Ca 0.13 0.17 0.13 0.00 -2.02 0.00 0.00 58.31 56.72 1yaj n LYS 462 Cb 0.31 -1.50 0.39 0.00 -0.02 0.00 0.00 35.03 34.22 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 -3.50 -0.18 1.35 -2.05 -3.43 112.91 105.10 1yaj h THR 463 Ca 0.00 -0.59 -0.61 0.00 -0.55 0.00 0.00 66.41 64.66 1yaj h THR 463 Cb 0.07 1.54 -0.12 0.00 -1.73 0.00 0.00 68.15 67.92 1yaj h THR 463 CO 0.00 0.00 0.11 -0.69 -0.25 0.00 0.00 175.52 174.69 1yaj s VAL 464 N -3.26 5.01 -0.02 6.82 1.01 -0.62 -5.06 120.40 124.28 1yaj s VAL 464 Ca 0.07 1.06 0.05 0.00 0.00 0.00 0.00 61.98 63.16 1yaj s VAL 464 Cb 0.09 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 1yaj s VAL 464 CO 0.57 0.05 -0.18 -0.63 0.00 0.00 0.00 175.10 174.91 1yaj s ILE 465 N 2.41 1.46 -0.77 2.22 1.01 -1.26 -4.78 121.20 121.49 1yaj s ILE 465 Ca 0.25 -0.77 -0.01 0.00 0.00 0.00 0.00 60.65 60.11 1yaj s ILE 465 Cb -0.16 -1.22 0.00 0.00 0.01 0.00 0.00 42.46 41.09 1yaj s ILE 465 CO 0.09 0.41 0.65 0.61 0.00 0.00 0.00 174.94 176.70 1yaj n GLY 466 N 2.78 -0.04 0.00 6.18 0.00 -1.15 -3.44 105.19 109.52 1yaj n GLY 466 Ca -0.16 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.11 -0.04 -4.71 1.61 2.03 -1.21 0.57 116.55 112.69 1yaj n ASP 467 Ca -0.14 -0.02 -0.40 0.00 0.52 0.00 0.00 54.79 54.75 1yaj n ASP 467 Cb 0.59 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.95 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 -0.04 3.56 0.00 -0.67 2.46 -1.21 -3.77 115.29 115.62 1yaj s HIS 468 Ca 0.00 1.31 0.00 0.00 0.47 0.00 0.00 55.06 56.84 1yaj s HIS 468 Cb 0.00 -2.88 0.00 0.00 -0.13 0.00 0.00 32.58 29.57 1yaj s HIS 468 CO 0.00 0.02 0.00 0.41 -2.47 0.00 0.00 174.74 172.70 1yaj n GLY 469 N 3.14 1.04 0.11 1.59 0.00 -1.26 -4.85 105.19 104.96 1yaj n GLY 469 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.08 1yaj n GLY 469 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1yaj n ASP 470 N 0.00 0.26 0.03 1.61 9.92 -1.25 -0.00 116.55 127.12 1yaj n ASP 470 Ca 0.00 0.51 0.12 0.00 -0.53 0.00 0.00 54.79 54.89 1yaj n ASP 470 Cb 0.00 -0.49 0.21 0.00 -0.64 0.00 0.00 41.12 40.20 1yaj n ASP 470 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1yaj n GLU 471 N -1.84 0.16 -0.00 -1.24 0.00 -1.26 -3.98 120.64 112.48 1yaj n GLU 471 Ca -0.01 0.04 0.02 0.00 0.00 0.00 0.00 57.16 57.22 1yaj n GLU 471 Cb 0.23 -1.60 0.37 0.00 0.00 0.00 0.00 31.44 30.45 1yaj n GLU 471 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1yaj h LEU 472 N 0.00 0.48 -1.90 -1.84 3.38 -0.83 -1.72 115.31 112.87 1yaj h LEU 472 Ca 0.00 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1yaj h LEU 472 Cb 0.64 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1yaj h LEU 472 CO 0.00 0.43 -0.12 -0.26 0.09 0.00 0.00 178.44 178.58 1yaj h PHE 473 N 0.54 0.00 0.00 1.13 -1.00 -1.74 -1.42 116.94 114.44 1yaj h PHE 473 Ca 0.13 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.91 1yaj h PHE 473 Cb 0.09 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.65 1yaj h PHE 473 CO 0.00 0.12 -0.04 0.77 -1.61 0.00 0.00 178.31 177.55 1yaj h SER 474 N 0.00 0.00 -0.99 2.17 0.02 -1.57 0.59 113.55 113.77 1yaj h SER 474 Ca -0.00 0.00 0.27 0.00 -0.84 0.00 0.00 61.79 61.22 1yaj h SER 474 Cb 0.25 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 62.60 1yaj h SER 474 CO 0.02 0.23 0.00 0.58 -1.14 0.00 0.00 176.83 176.52 1yaj h VAL 475 N -0.42 0.01 -0.37 2.27 2.07 -1.46 0.99 116.25 119.34 1yaj h VAL 475 Ca 0.00 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1yaj h VAL 475 Cb 0.04 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 1yaj h VAL 475 CO 0.00 0.00 0.00 0.49 0.02 0.00 0.00 177.57 178.08 1yaj n PHE 476 N -5.51 0.63 -3.22 1.57 3.01 -0.54 -4.72 117.46 108.69 1yaj n PHE 476 Ca 0.23 -0.28 -0.22 0.00 1.01 0.00 0.00 57.45 58.18 1yaj n PHE 476 Cb 0.74 -0.06 0.01 0.00 -0.01 0.00 0.00 39.48 40.16 1yaj n PHE 476 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yaj n GLY 477 N 0.95 -0.50 0.47 1.37 0.00 0.34 -4.51 105.19 103.31 1yaj n GLY 477 Ca 0.13 0.10 0.28 0.00 0.00 0.00 0.00 46.02 46.53 1yaj n GLY 477 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj h ALA 478 N 0.98 2.68 0.00 4.61 0.00 -1.09 0.26 119.26 126.70 1yaj h ALA 478 Ca -0.45 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1yaj h ALA 478 Cb 1.31 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1yaj h ALA 478 CO 0.54 -1.21 -0.02 -1.35 0.00 0.00 0.00 179.25 177.21 1yaj h PRO 479 N 0.00 0.00 -0.00 0.00 0.11 -1.87 0.75 132.00 130.98 1yaj h PRO 479 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 1yaj h PRO 479 Cb 1.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 33.06 1yaj h PRO 479 CO -0.00 0.02 -0.17 1.19 -0.21 0.00 0.00 178.00 178.83 1yaj n PHE 480 N -3.91 0.00 -0.01 0.65 3.01 0.91 -4.10 117.46 114.00 1yaj n PHE 480 Ca -0.03 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.43 1yaj n PHE 480 Cb 0.10 -0.19 -0.01 0.00 -0.01 0.00 0.00 39.48 39.37 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 -0.94 0.00 0.00 4.37 4.77 -0.50 -5.01 117.00 119.69 1yaj n LEU 481 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1yaj n LEU 481 Cb 0.30 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1yaj n LEU 481 CO 0.25 0.03 0.00 0.29 -1.33 0.00 0.00 177.39 176.63 1yaj n LYS 482 N -2.01 1.82 -4.23 3.23 5.02 0.14 -4.01 118.16 118.12 1yaj n LYS 482 Ca -0.02 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.14 1yaj n LYS 482 Cb 0.50 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.41 1yaj n LYS 482 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1yaj s GLU 483 N 0.37 1.17 0.00 1.97 2.02 -1.26 -4.85 118.70 118.13 1yaj s GLU 483 Ca 0.00 -1.60 0.00 0.00 0.02 0.00 0.00 54.97 53.39 1yaj s GLU 483 Cb 0.00 -0.04 0.00 0.00 0.10 0.00 0.00 34.13 34.19 1yaj s GLU 483 CO 0.00 -0.26 0.00 0.41 0.02 0.00 0.00 175.26 175.43 1yaj n GLY 484 N -0.28 2.50 3.69 -1.39 0.00 -1.26 -4.95 105.19 103.50 1yaj n GLY 484 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1yaj n GLY 484 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yaj n ALA 485 N -0.58 2.16 -1.62 4.61 0.00 -1.26 -4.95 120.51 118.86 1yaj n ALA 485 Ca 0.00 0.30 -0.33 0.00 0.00 0.00 0.00 53.44 53.41 1yaj n ALA 485 Cb 0.00 -2.62 0.02 0.00 0.00 0.00 0.00 19.45 16.86 1yaj n ALA 485 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1yaj s SER 486 N 3.00 5.58 0.56 0.00 1.04 -1.26 -4.84 113.70 117.78 1yaj s SER 486 Ca 0.83 1.85 0.36 0.00 0.48 0.00 0.00 55.95 59.47 1yaj s SER 486 Cb -0.47 -2.54 1.48 0.00 0.10 0.00 0.00 66.02 64.59 1yaj s SER 486 CO 0.38 -1.31 1.72 -0.08 0.98 0.00 0.00 173.24 174.93 1yaj h GLU 487 N 0.26 0.00 0.81 4.02 4.57 -2.00 0.23 114.58 122.48 1yaj h GLU 487 Ca -0.47 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 57.67 1yaj h GLU 487 Cb 1.23 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.82 1yaj h GLU 487 CO 0.56 0.00 -0.39 1.49 -1.18 0.00 0.00 179.01 179.50 1yaj h GLU 488 N 0.00 -1.05 -0.57 1.92 4.81 -1.99 -1.28 114.58 116.42 1yaj h GLU 488 Ca 0.54 0.07 0.16 0.00 -0.13 0.00 0.00 59.36 60.01 1yaj h GLU 488 Cb 2.37 0.24 -0.02 0.00 0.63 0.00 0.00 28.75 31.97 1yaj h GLU 488 CO -0.01 -0.70 0.55 1.49 -0.73 0.00 0.00 179.01 179.61 1yaj h GLU 489 N -1.28 0.00 0.04 1.92 4.81 -0.91 -0.71 114.58 118.46 1yaj h GLU 489 Ca -0.11 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1yaj h GLU 489 Cb 0.83 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.22 1yaj h GLU 489 CO 0.18 0.00 -0.02 0.82 -0.73 0.00 0.00 179.01 179.26 1yaj h ILE 490 N 0.00 1.14 0.00 2.32 2.04 -1.17 -2.54 117.51 119.30 1yaj h ILE 490 Ca 0.27 -1.66 -0.00 0.00 1.00 0.00 0.00 64.86 64.46 1yaj h ILE 490 Cb 1.36 2.08 -0.00 0.00 -0.74 0.00 0.00 36.82 39.52 1yaj h ILE 490 CO -0.00 0.36 -0.01 0.03 0.00 0.00 0.00 178.15 178.53 1yaj h ARG 491 N -0.93 0.00 0.00 2.37 3.08 0.03 0.56 114.38 119.49 1yaj h ARG 491 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1yaj h ARG 491 Cb 0.63 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.68 1yaj h ARG 491 CO 0.01 0.01 -0.13 1.25 -1.07 0.00 0.00 179.97 180.04 1yaj h LEU 492 N 0.00 0.00 -0.61 3.04 5.85 -1.29 -2.67 115.31 119.63 1yaj h LEU 492 Ca -0.00 -0.23 0.10 0.00 0.84 0.00 0.00 57.88 58.59 1yaj h LEU 492 Cb 0.03 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 40.99 1yaj h LEU 492 CO 0.00 0.68 0.21 -1.28 -0.34 0.00 0.00 178.44 177.72 1yaj h SER 493 N -1.00 0.19 -0.89 1.25 0.87 -1.31 0.32 113.55 112.98 1yaj h SER 493 Ca -0.02 0.08 0.04 0.00 -1.23 0.00 0.00 61.79 60.66 1yaj h SER 493 Cb 0.33 0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.31 1yaj h SER 493 CO -0.01 0.11 0.59 0.50 -0.53 0.00 0.00 176.83 177.49 1yaj h LYS 494 N 0.38 1.08 0.67 2.24 3.64 -1.03 -1.81 116.57 121.75 1yaj h LYS 494 Ca 0.31 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.59 1yaj h LYS 494 Cb 0.40 -0.24 0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1yaj h LYS 494 CO -0.32 0.71 -0.32 1.98 -2.27 0.00 0.00 179.45 179.23 1yaj h MET 495 N 1.11 -0.86 -0.86 1.90 4.05 -0.26 -3.07 114.93 116.94 1yaj h MET 495 Ca 0.36 0.06 0.22 0.00 -0.28 0.00 0.00 59.70 60.05 1yaj h MET 495 Cb 0.03 0.20 -0.15 0.00 -0.80 0.00 0.00 31.60 30.87 1yaj h MET 495 CO -0.11 -0.58 0.08 0.28 0.23 0.00 0.00 176.91 176.81 1yaj h VAL 496 N -1.16 0.23 -0.84 -5.77 2.07 -0.37 0.43 116.25 110.84 1yaj h VAL 496 Ca -0.09 -0.04 0.11 0.00 0.82 0.00 0.00 66.70 67.50 1yaj h VAL 496 Cb 0.69 0.12 -0.08 0.00 -1.52 0.00 0.00 31.29 30.50 1yaj h VAL 496 CO 0.15 0.02 0.47 0.24 0.02 0.00 0.00 177.57 178.47 1yaj h MET 497 N 0.10 0.75 -0.64 1.57 2.07 -1.36 0.73 114.93 118.16 1yaj h MET 497 Ca 0.51 -0.05 -0.03 0.00 -2.07 0.00 0.00 59.70 58.06 1yaj h MET 497 Cb 0.99 -0.17 -0.03 0.00 -1.87 0.00 0.00 31.60 30.52 1yaj h MET 497 CO -0.74 0.50 0.26 0.87 1.07 0.00 0.00 176.91 178.87 1yaj h LYS 498 N 0.77 0.92 0.13 1.72 1.57 -0.07 0.80 116.57 122.42 1yaj h LYS 498 Ca 0.42 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 59.05 1yaj h LYS 498 Cb 0.42 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1yaj h LYS 498 CO -0.27 0.75 -0.06 0.74 -0.57 0.00 0.00 179.45 180.03 1yaj h PHE 499 N 0.91 -0.17 -0.60 -1.35 0.05 -0.05 0.21 116.94 115.95 1yaj h PHE 499 Ca 0.22 -0.00 -0.03 0.00 3.82 0.00 0.00 57.97 61.97 1yaj h PHE 499 Cb 0.16 0.06 -0.03 0.00 2.00 0.00 0.00 35.95 38.14 1yaj h PHE 499 CO 0.01 0.16 0.24 -1.49 -0.18 0.00 0.00 178.31 177.05 1yaj h TRP 500 N -0.50 0.90 -0.06 -0.55 -0.00 0.70 -1.61 115.95 114.84 1yaj h TRP 500 Ca -0.02 -0.07 -0.02 0.00 -0.00 0.00 0.00 58.89 58.78 1yaj h TRP 500 Cb 0.40 -0.27 -0.00 0.00 -0.00 0.00 0.00 29.16 29.29 1yaj h TRP 500 CO 0.03 0.72 -0.05 0.00 -0.00 0.00 0.00 178.44 179.14 1yaj h ALA 501 N 1.09 0.08 -0.94 1.49 0.00 0.59 -1.52 119.26 120.05 1yaj h ALA 501 Ca 0.20 -0.27 0.15 0.00 0.00 0.00 0.00 54.91 54.99 1yaj h ALA 501 Cb 0.19 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.88 1yaj h ALA 501 CO -0.02 -0.13 0.60 -0.91 0.00 0.00 0.00 179.25 178.79 1yaj h ASN 502 N -0.30 0.73 -0.18 0.00 2.35 -0.53 -0.40 115.58 117.26 1yaj h ASN 502 Ca 0.01 0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 1yaj h ASN 502 Cb 0.54 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.82 1yaj h ASN 502 CO 0.01 0.35 -0.07 0.15 -1.65 0.00 0.00 177.43 176.23 1yaj h PHE 503 N 0.77 0.41 0.00 1.19 3.57 -1.17 -2.61 116.94 119.10 1yaj h PHE 503 Ca 0.49 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.89 1yaj h PHE 503 Cb 0.72 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.37 1yaj h PHE 503 CO -0.00 0.65 0.00 0.00 -2.23 0.00 0.00 178.31 176.73 1yaj n ALA 504 N -2.38 1.39 -0.11 2.41 0.00 -0.23 0.05 120.51 121.65 1yaj n ALA 504 Ca -0.05 -0.01 -0.22 0.00 0.00 0.00 0.00 53.44 53.15 1yaj n ALA 504 Cb 0.30 -1.03 -0.07 0.00 0.00 0.00 0.00 19.45 18.64 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 -1.18 0.46 0.00 0.00 1.74 -0.77 -4.71 116.66 112.20 1yaj n ARG 505 Ca 0.01 0.20 0.01 0.00 -0.77 0.00 0.00 57.85 57.30 1yaj n ARG 505 Cb 0.01 -1.28 -0.01 0.00 -1.02 0.00 0.00 32.46 30.17 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 -4.01 0.12 0.00 0.55 3.02 -1.05 -4.99 115.26 108.90 1yaj n ASN 506 Ca -0.41 -0.56 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 1yaj n ASN 506 Cb 0.78 0.95 0.00 0.00 -0.61 0.00 0.00 39.78 40.89 1yaj n ASN 506 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yaj n GLY 507 N 0.98 0.60 2.63 7.41 0.00 0.11 -5.02 105.19 111.90 1yaj n GLY 507 Ca 0.00 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.42 2.07 0.43 1.61 3.84 -1.26 -4.85 114.94 114.37 1yaj s ASN 508 Ca 0.00 -0.46 0.13 0.00 0.21 0.00 0.00 52.86 52.74 1yaj s ASN 508 Cb 0.00 -0.17 1.01 0.00 -0.55 0.00 0.00 41.25 41.54 1yaj s ASN 508 CO 0.00 -0.33 2.00 1.55 -2.79 0.00 0.00 177.10 177.53 1yaj h PRO 509 N 8.41 0.40 -6.10 0.43 0.13 -1.79 -3.32 132.00 130.16 1yaj h PRO 509 Ca -0.15 -0.02 -0.55 0.00 -0.87 0.00 0.00 66.00 64.41 1yaj h PRO 509 Cb 1.15 -0.09 0.23 0.00 0.13 0.00 0.00 31.00 32.41 1yaj h PRO 509 CO 0.27 0.27 -1.62 0.09 -0.23 0.00 0.00 178.00 176.77 1yaj n ASN 510 N -4.47 -5.28 0.00 1.44 3.02 -1.26 -4.45 115.26 104.26 1yaj n ASN 510 Ca 0.08 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.88 1yaj n ASN 510 Cb 0.31 -0.83 0.00 0.00 -0.61 0.00 0.00 39.78 38.65 1yaj n ASN 510 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yaj n GLY 511 N 3.14 0.63 3.75 7.41 0.00 -1.26 -4.89 105.19 113.96 1yaj n GLY 511 Ca 0.00 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 1yaj n GLY 511 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yaj s GLU 512 N -2.00 4.65 0.00 1.61 2.02 -1.26 -3.40 118.70 120.32 1yaj s GLU 512 Ca 0.00 1.70 0.00 0.00 0.02 0.00 0.00 54.97 56.69 1yaj s GLU 512 Cb 0.00 -3.25 0.00 0.00 0.10 0.00 0.00 34.13 30.98 1yaj s GLU 512 CO 0.00 0.18 0.00 0.41 0.02 0.00 0.00 175.26 175.87 1yaj n GLY 513 N 1.71 1.31 3.57 -1.39 0.00 -1.26 -5.04 105.19 104.10 1yaj n GLY 513 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1yaj n GLY 513 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yaj s LEU 514 N 0.00 3.05 0.89 0.99 1.43 -1.22 -5.11 118.68 118.71 1yaj s LEU 514 Ca 0.00 -0.31 -0.13 0.00 -1.03 0.00 0.00 54.13 52.65 1yaj s LEU 514 Cb 0.00 -1.82 0.04 0.00 0.03 0.00 0.00 46.19 44.44 1yaj s LEU 514 CO 0.00 0.21 0.58 -2.65 0.23 0.00 0.00 176.35 174.72 1yaj n PRO 515 N 1.02 -0.15 -3.06 1.29 -0.02 -1.26 -4.76 135.00 128.07 1yaj n PRO 515 Ca -0.14 0.01 -0.40 0.00 -2.02 0.00 0.00 63.50 60.95 1yaj n PRO 515 Cb 0.52 -1.96 -0.05 0.00 -0.02 0.00 0.00 33.50 32.00 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 -2.30 3.50 -0.33 6.00 2.46 -1.26 -4.81 115.29 118.55 1yaj s HIS 516 Ca 0.61 1.14 -0.04 0.00 0.47 0.00 0.00 55.06 57.25 1yaj s HIS 516 Cb -0.25 -2.82 0.06 0.00 -0.13 0.00 0.00 32.58 29.44 1yaj s HIS 516 CO 0.63 -0.02 0.07 -0.46 -2.47 0.00 0.00 174.74 172.49 1yaj s TRP 517 N 1.26 3.31 0.32 3.88 -0.11 -1.26 -4.51 118.94 121.84 1yaj s TRP 517 Ca 0.35 -1.81 -0.29 0.00 1.22 0.00 0.00 56.10 55.56 1yaj s TRP 517 Cb -0.17 -2.35 -0.10 0.00 -1.50 0.00 0.00 33.47 29.35 1yaj s TRP 517 CO 0.15 -0.81 1.29 -1.25 -4.62 0.00 0.00 176.95 171.71 1yaj s PRO 518 N 1.28 4.38 -0.31 5.86 0.04 -1.26 -4.83 135.00 140.17 1yaj s PRO 518 Ca -0.02 2.17 -0.29 0.00 0.04 0.00 0.00 61.00 62.91 1yaj s PRO 518 Cb -0.20 -3.09 -0.02 0.00 0.04 0.00 0.00 34.50 31.23 1yaj s PRO 518 CO -0.00 -0.15 1.74 -2.00 0.04 0.00 0.00 177.00 176.62 1yaj s GLU 519 N -1.66 3.46 -0.49 4.56 2.12 -1.26 -4.63 118.70 120.80 1yaj s GLU 519 Ca 0.49 1.47 -0.30 0.00 0.36 0.00 0.00 54.97 56.99 1yaj s GLU 519 Cb -0.39 -4.15 -0.11 0.00 0.26 0.00 0.00 34.13 29.74 1yaj s GLU 519 CO 0.51 -1.71 2.37 0.98 -0.54 0.00 0.00 175.26 176.87 1yaj n TYR 520 N 9.77 1.41 -2.01 5.30 9.36 0.73 -4.61 117.16 137.11 1yaj n TYR 520 Ca 0.22 0.18 0.00 0.00 3.32 0.00 0.00 57.90 61.62 1yaj n TYR 520 Cb 0.46 -2.57 0.00 0.00 -0.63 0.00 0.00 39.34 36.60 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 12.51 0.01 -0.21 2.98 0.23 -1.26 -4.53 115.26 124.98 1yaj n ASN 521 Ca 0.42 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.60 1yaj n ASN 521 Cb 0.34 0.00 0.43 0.00 -2.08 0.00 0.00 39.78 38.47 1yaj n ASN 521 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1yaj h GLN 522 N 0.00 0.56 0.00 -3.83 1.08 -1.99 0.50 115.11 111.44 1yaj h GLN 522 Ca 0.00 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.13 1yaj h GLN 522 Cb 0.00 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 27.30 1yaj h GLN 522 CO 0.00 0.37 -0.17 0.87 -0.95 0.00 0.00 178.83 178.96 1yaj h LYS 523 N 0.58 0.00 -5.66 1.46 6.56 -1.94 -3.48 116.57 114.08 1yaj h LYS 523 Ca 0.40 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.87 1yaj h LYS 523 Cb 0.73 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 32.40 1yaj h LYS 523 CO -0.16 0.17 -0.30 0.39 -2.06 0.00 0.00 179.45 177.49 1yaj n GLU 524 N -3.36 -1.42 -4.40 3.15 1.02 0.18 -4.30 120.64 111.51 1yaj n GLU 524 Ca -0.00 1.28 -0.34 0.00 -0.02 0.00 0.00 57.16 58.08 1yaj n GLU 524 Cb 0.38 -5.07 -0.11 0.00 -0.02 0.00 0.00 31.44 26.62 1yaj n GLU 524 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1yaj s GLY 525 N -3.04 1.77 0.45 0.62 0.00 -1.26 0.58 107.32 106.44 1yaj s GLY 525 Ca 0.05 -0.82 0.03 0.00 0.00 0.00 0.00 44.72 43.98 1yaj s GLY 525 CO 0.78 -0.33 0.08 -2.52 0.00 0.00 0.00 173.10 171.11 1yaj s TYR 526 N -0.25 1.82 -0.16 1.90 -0.85 -1.09 -3.69 117.35 115.04 1yaj s TYR 526 Ca 0.05 -1.15 -0.01 0.00 -0.52 0.00 0.00 57.07 55.44 1yaj s TYR 526 Cb -0.13 -1.34 -0.01 0.00 0.38 0.00 0.00 41.96 40.87 1yaj s TYR 526 CO 0.02 -0.09 -0.13 -1.17 -1.52 0.00 0.00 175.55 172.67 1yaj s LEU 527 N -3.72 2.62 -0.70 -3.49 2.96 0.23 -1.71 118.68 114.88 1yaj s LEU 527 Ca 0.16 -0.41 -0.19 0.00 -0.22 0.00 0.00 54.13 53.47 1yaj s LEU 527 Cb 0.02 -1.61 0.12 0.00 0.50 0.00 0.00 46.19 45.22 1yaj s LEU 527 CO 0.10 0.09 0.84 -1.10 -1.32 0.00 0.00 176.35 174.96 1yaj s GLN 528 N 0.80 3.23 0.04 1.98 -0.21 -0.49 -0.22 119.66 124.79 1yaj s GLN 528 Ca -0.05 -1.46 -0.24 0.00 0.02 0.00 0.00 55.36 53.63 1yaj s GLN 528 Cb -0.15 -4.41 -0.05 0.00 1.00 0.00 0.00 33.01 29.39 1yaj s GLN 528 CO 0.01 -1.61 0.75 0.42 -2.12 0.00 0.00 175.29 172.74 1yaj s ILE 529 N 2.62 4.75 -2.45 1.08 1.01 -1.08 -2.89 121.20 124.25 1yaj s ILE 529 Ca 0.18 1.59 0.00 0.00 0.00 0.00 0.00 60.65 62.42 1yaj s ILE 529 Cb -0.18 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.20 1yaj s ILE 529 CO 0.02 0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.94 1yaj n GLY 530 N 2.40 -0.63 0.20 6.18 0.00 -1.26 0.56 105.19 112.64 1yaj n GLY 530 Ca -0.03 -0.51 -0.06 0.00 0.00 0.00 0.00 46.02 45.42 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 0.10 -3.15 4.61 0.00 -1.93 -3.36 119.26 115.54 1yaj h ALA 531 Ca 0.00 0.12 -0.67 0.00 0.00 0.00 0.00 54.91 54.36 1yaj h ALA 531 Cb 0.00 0.36 -0.33 0.00 0.00 0.00 0.00 17.79 17.82 1yaj h ALA 531 CO 0.00 -0.54 -0.84 1.21 0.00 0.00 0.00 179.25 179.08 1yaj s ASN 532 N -5.14 3.33 -0.40 0.00 3.84 -1.26 -5.10 114.94 110.21 1yaj s ASN 532 Ca -0.14 -0.57 -0.11 0.00 0.21 0.00 0.00 52.86 52.25 1yaj s ASN 532 Cb 0.13 -1.50 0.05 0.00 -0.55 0.00 0.00 41.25 39.38 1yaj s ASN 532 CO 0.69 0.05 0.24 -0.89 -2.79 0.00 0.00 177.10 174.41 1yaj s THR 533 N 0.99 4.53 0.11 -5.21 2.01 -1.26 -4.71 115.64 112.10 1yaj s THR 533 Ca -0.02 -1.07 -0.02 0.00 0.31 0.00 0.00 61.69 60.89 1yaj s THR 533 Cb -0.15 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 1yaj s THR 533 CO -0.05 -0.36 0.07 0.00 -0.69 0.00 0.00 174.62 173.59 1yaj s GLN 534 N 1.52 0.88 0.60 4.92 -2.07 -1.14 -4.90 119.66 119.46 1yaj s GLN 534 Ca 0.02 -1.33 -0.13 0.00 -1.82 0.00 0.00 55.36 52.10 1yaj s GLN 534 Cb -0.21 0.26 -0.04 0.00 -1.09 0.00 0.00 33.01 31.92 1yaj s GLN 534 CO 0.05 -0.25 1.02 0.00 -1.32 0.00 0.00 175.29 174.80 1yaj s ALA 535 N -4.00 2.97 0.09 2.60 0.00 -1.26 -1.39 121.76 120.77 1yaj s ALA 535 Ca 0.18 0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.24 1yaj s ALA 535 Cb 0.07 -3.13 -0.00 0.00 0.00 0.00 0.00 23.12 20.06 1yaj s ALA 535 CO -0.02 -0.65 0.11 0.00 0.00 0.00 0.00 175.76 175.20 1yaj n ALA 536 N -2.35 0.02 -2.78 0.00 0.00 -0.69 -4.89 120.51 109.83 1yaj n ALA 536 Ca 0.07 -0.46 -0.09 0.00 0.00 0.00 0.00 53.44 52.96 1yaj n ALA 536 Cb 0.54 0.38 -0.11 0.00 0.00 0.00 0.00 19.45 20.26 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 -2.27 0.41 -0.49 0.00 -0.21 -1.26 -2.66 119.66 113.18 1yaj s GLN 537 Ca 0.09 -0.74 -0.34 0.00 0.02 0.00 0.00 55.36 54.39 1yaj s GLN 537 Cb 0.00 0.15 0.05 0.00 1.00 0.00 0.00 33.01 34.21 1yaj s GLN 537 CO 0.06 -0.08 0.66 1.63 -2.12 0.00 0.00 175.29 175.45 1yaj n LYS 538 N 1.20 -1.92 -2.49 2.91 5.02 0.20 -4.91 118.16 118.18 1yaj n LYS 538 Ca -0.21 1.40 -0.39 0.00 -2.02 0.00 0.00 58.31 57.08 1yaj n LYS 538 Cb 0.57 -2.26 -0.04 0.00 -0.02 0.00 0.00 35.03 33.28 1yaj n LYS 538 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1yaj s LEU 539 N -2.72 4.46 0.00 -0.35 2.96 -1.26 -3.48 118.68 118.28 1yaj s LEU 539 Ca 0.34 2.22 0.00 0.00 -0.22 0.00 0.00 54.13 56.47 1yaj s LEU 539 Cb -0.04 -3.76 0.00 0.00 0.50 0.00 0.00 46.19 42.90 1yaj s LEU 539 CO 0.87 -0.23 0.00 0.29 -1.32 0.00 0.00 176.35 175.97 1yaj n LYS 540 N 0.89 -0.59 -0.39 1.98 4.76 -1.26 -4.75 118.16 118.80 1yaj n LYS 540 Ca 0.00 0.05 -0.06 0.00 -2.87 0.00 0.00 58.31 55.44 1yaj n LYS 540 Cb 0.46 -2.56 -0.03 0.00 -1.84 0.00 0.00 35.03 31.07 1yaj n LYS 540 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1yaj n ASP 541 N 0.47 -0.83 -0.01 4.39 -0.08 -1.23 0.11 116.55 119.38 1yaj n ASP 541 Ca 0.00 1.72 -0.09 0.00 -1.51 0.00 0.00 54.79 54.91 1yaj n ASP 541 Cb 0.05 -0.31 -0.03 0.00 2.34 0.00 0.00 41.12 43.17 1yaj n ASP 541 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1yaj h LYS 542 N 0.00 -0.28 -0.67 -0.67 3.64 -1.85 -1.34 116.57 115.39 1yaj h LYS 542 Ca 0.25 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.63 1yaj h LYS 542 Cb 0.50 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 1yaj h LYS 542 CO -0.94 -0.19 0.35 0.93 -2.27 0.00 0.00 179.45 177.32 1yaj h GLU 543 N -0.29 0.93 0.42 1.90 3.07 -0.53 -2.65 114.58 117.42 1yaj h GLU 543 Ca 0.11 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1yaj h GLU 543 Cb 0.46 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 1yaj h GLU 543 CO -0.33 0.70 -0.27 0.28 -1.40 0.00 0.00 179.01 177.98 1yaj h VAL 544 N 0.93 0.43 -0.76 3.13 2.07 0.17 -2.35 116.25 119.87 1yaj h VAL 544 Ca 0.23 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.92 1yaj h VAL 544 Cb 0.05 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.21 1yaj h VAL 544 CO -0.04 0.00 0.51 0.00 0.02 0.00 0.00 177.57 178.07 1yaj h ALA 545 N -0.14 2.19 0.42 1.67 0.00 -1.11 0.15 119.26 122.44 1yaj h ALA 545 Ca -0.04 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1yaj h ALA 545 Cb 0.56 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1yaj h ALA 545 CO 0.03 -0.40 -0.20 0.35 0.00 0.00 0.00 179.25 179.03 1yaj h PHE 546 N 0.36 -0.53 0.00 0.00 3.57 -1.07 -3.08 116.94 116.19 1yaj h PHE 546 Ca 0.38 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.83 1yaj h PHE 546 Cb 0.94 0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.85 1yaj h PHE 546 CO -0.00 -0.24 -0.15 -1.49 -2.23 0.00 0.00 178.31 174.20 1yaj h TRP 547 N -0.76 0.00 -0.40 0.41 4.06 -1.16 -2.77 115.95 115.33 1yaj h TRP 547 Ca -0.06 0.00 0.12 0.00 2.06 0.00 0.00 58.89 61.01 1yaj h TRP 547 Cb 0.53 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.67 1yaj h TRP 547 CO -0.01 0.15 0.29 1.15 -3.56 0.00 0.00 178.44 176.46 1yaj h THR 548 N 0.00 0.78 0.00 1.49 2.02 -0.88 -0.64 112.91 115.67 1yaj h THR 548 Ca -0.00 0.00 -0.38 0.00 0.77 0.00 0.00 66.41 66.80 1yaj h THR 548 Cb 0.78 0.80 -0.06 0.00 -1.74 0.00 0.00 68.15 67.93 1yaj h THR 548 CO 0.02 0.00 -2.35 0.59 0.37 0.00 0.00 175.52 174.15 1yaj n ASN 549 N -4.38 2.01 -0.24 4.18 3.02 -1.14 -4.19 115.26 114.52 1yaj n ASN 549 Ca 0.07 0.06 0.03 0.00 -0.03 0.00 0.00 54.58 54.70 1yaj n ASN 549 Cb 0.48 -0.52 0.16 0.00 -0.61 0.00 0.00 39.78 39.29 1yaj n ASN 549 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1yaj h LEU 550 N -0.38 0.32 0.00 3.41 5.85 -1.41 0.53 115.31 123.63 1yaj h LEU 550 Ca -0.56 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1yaj h LEU 550 Cb 1.70 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.78 1yaj h LEU 550 CO -0.21 0.15 0.00 0.49 -0.34 0.00 0.00 178.44 178.54 1yaj n PHE 551 N -4.96 0.00 -0.07 1.25 0.99 -0.26 -1.10 117.46 113.31 1yaj n PHE 551 Ca 0.12 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.69 1yaj n PHE 551 Cb 0.35 -0.24 0.27 0.00 -1.00 0.00 0.00 39.48 38.86 1yaj n PHE 551 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1yaj n ALA 552 N -1.24 2.39 -0.36 4.37 0.00 0.18 -5.08 120.51 120.78 1yaj n ALA 552 Ca 0.07 -1.16 0.00 0.00 0.00 0.00 0.00 53.44 52.35 1yaj n ALA 552 Cb 0.10 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.68 1yaj n ALA 552 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67