#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ya4 s SER 22 N 0.00 1.15 0.00 6.43 0.01 -1.26 -4.98 113.70 115.05 1ya4 s SER 22 Ca 0.00 0.68 0.00 0.00 1.31 0.00 0.00 55.95 57.94 1ya4 s SER 22 Cb 0.00 -0.96 0.00 0.00 0.21 0.00 0.00 66.02 65.27 1ya4 s SER 22 CO 0.00 -3.98 0.00 -2.65 0.41 0.00 0.00 173.24 167.02 1ya4 n PRO 23 N -4.67 0.00 -2.79 12.44 -0.02 -1.26 -5.00 135.00 133.69 1ya4 n PRO 23 Ca 0.12 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.21 1ya4 n PRO 23 Cb 0.59 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 34.01 1ya4 n PRO 23 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1ya4 s PRO 24 N 0.00 4.79 -0.34 0.52 0.02 -1.26 -4.92 135.00 133.81 1ya4 s PRO 24 Ca 0.00 1.42 -0.01 0.00 0.02 0.00 0.00 61.00 62.44 1ya4 s PRO 24 Cb 0.00 -3.23 0.12 0.00 0.02 0.00 0.00 34.50 31.41 1ya4 s PRO 24 CO 0.00 0.51 0.17 0.08 -0.33 0.00 0.00 177.00 177.43 1ya4 s VAL 25 N -1.22 0.50 0.64 3.83 1.01 -1.26 -0.59 120.40 123.31 1ya4 s VAL 25 Ca 0.41 -1.58 -0.11 0.00 0.00 0.00 0.00 61.98 60.70 1ya4 s VAL 25 Cb -0.25 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1ya4 s VAL 25 CO 0.30 -0.84 1.04 -0.69 0.00 0.00 0.00 175.10 174.92 1ya4 s VAL 26 N 1.30 4.43 -0.24 2.92 1.01 -0.42 -4.84 120.40 124.54 1ya4 s VAL 26 Ca 0.14 0.78 0.02 0.00 0.00 0.00 0.00 61.98 62.92 1ya4 s VAL 26 Cb -0.20 -3.78 0.05 0.00 0.00 0.00 0.00 36.38 32.45 1ya4 s VAL 26 CO -0.14 -1.03 -0.11 -0.62 0.00 0.00 0.00 175.10 173.20 1ya4 s ASP 27 N -4.22 4.15 0.54 3.32 -1.08 -1.26 -1.04 116.67 117.07 1ya4 s ASP 27 Ca 0.56 -1.25 0.09 0.00 -0.52 0.00 0.00 52.55 51.42 1ya4 s ASP 27 Cb -0.11 -1.47 0.09 0.00 -1.46 0.00 0.00 42.92 39.97 1ya4 s ASP 27 CO 0.53 -0.17 0.72 0.35 0.52 0.00 0.00 175.17 177.13 1ya4 n THR 28 N 4.50 0.00 -0.20 1.71 -2.24 -0.80 -4.86 114.28 112.39 1ya4 n THR 28 Ca -0.15 -1.80 -0.08 0.00 -2.27 0.00 0.00 64.05 59.75 1ya4 n THR 28 Cb 0.43 -0.53 0.02 0.00 -2.10 0.00 0.00 70.33 68.16 1ya4 n THR 28 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1ya4 h VAL 29 N 0.12 1.23 -0.01 2.28 2.07 -1.94 -2.87 116.25 117.12 1ya4 h VAL 29 Ca -0.25 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1ya4 h VAL 29 Cb 1.15 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1ya4 h VAL 29 CO 0.36 0.28 0.00 1.41 0.02 0.00 0.00 177.57 179.65 1ya4 n HIS 30 N -4.48 0.01 0.00 1.57 8.25 -1.26 -5.01 115.22 114.31 1ya4 n HIS 30 Ca 0.03 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1ya4 n HIS 30 Cb 0.18 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.29 1ya4 n HIS 30 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ya4 n GLY 31 N 1.04 2.38 3.77 -1.41 0.00 -1.08 -0.58 105.19 109.30 1ya4 n GLY 31 Ca 0.21 -1.88 -0.38 0.00 0.00 0.00 0.00 46.02 43.97 1ya4 n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ya4 s LYS 32 N -1.66 4.08 -0.09 1.61 1.02 -1.25 -1.91 119.74 121.55 1ya4 s LYS 32 Ca 0.00 1.71 0.02 0.00 0.02 0.00 0.00 55.97 57.72 1ya4 s LYS 32 Cb 0.00 -2.62 0.01 0.00 -0.52 0.00 0.00 37.83 34.70 1ya4 s LYS 32 CO 0.00 -0.26 -0.15 0.08 -0.92 0.00 0.00 175.35 174.11 1ya4 s VAL 33 N -1.50 1.40 -0.21 3.17 1.01 -0.21 -1.83 120.40 122.22 1ya4 s VAL 33 Ca 0.57 -0.60 -0.09 0.00 0.00 0.00 0.00 61.98 61.87 1ya4 s VAL 33 Cb -0.27 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1ya4 s VAL 33 CO 0.34 0.42 0.10 -0.22 0.00 0.00 0.00 175.10 175.74 1ya4 s LEU 34 N 0.86 3.93 0.00 3.92 1.98 0.14 -1.30 118.68 128.20 1ya4 s LEU 34 Ca -0.10 0.09 0.00 0.00 -2.89 0.00 0.00 54.13 51.23 1ya4 s LEU 34 Cb -0.15 -2.02 0.00 0.00 0.66 0.00 0.00 46.19 44.68 1ya4 s LEU 34 CO 0.01 0.12 0.00 0.61 -1.89 0.00 0.00 176.35 175.20 1ya4 n GLY 35 N 3.88 5.79 3.06 7.98 0.00 0.24 -0.13 105.19 126.01 1ya4 n GLY 35 Ca -0.16 -1.88 -0.13 0.00 0.00 0.00 0.00 46.02 43.86 1ya4 n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ya4 s LYS 36 N 1.75 0.21 -0.06 1.61 -2.85 -0.46 -4.08 119.74 115.86 1ya4 s LYS 36 Ca 0.00 0.40 -0.30 0.00 -1.00 0.00 0.00 55.97 55.07 1ya4 s LYS 36 Cb 0.00 -0.01 -0.02 0.00 -2.06 0.00 0.00 37.83 35.74 1ya4 s LYS 36 CO 0.00 -0.10 1.00 -0.06 0.10 0.00 0.00 175.35 176.29 1ya4 s PHE 37 N 0.69 3.56 -0.08 1.78 0.40 -1.26 -1.26 117.98 121.81 1ya4 s PHE 37 Ca -0.05 1.63 0.01 0.00 -0.60 0.00 0.00 56.93 57.92 1ya4 s PHE 37 Cb -0.06 -3.17 0.02 0.00 0.51 0.00 0.00 43.02 40.32 1ya4 s PHE 37 CO -0.04 -0.16 -0.10 0.08 0.70 0.00 0.00 175.22 175.70 1ya4 s VAL 38 N 1.63 1.09 0.00 -0.44 1.01 0.30 -4.93 120.40 119.06 1ya4 s VAL 38 Ca 0.50 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 62.04 1ya4 s VAL 38 Cb -0.19 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 1ya4 s VAL 38 CO 0.22 0.36 0.20 -0.44 0.00 0.00 0.00 175.10 175.44 1ya4 s SER 39 N 1.05 6.39 0.04 3.32 0.01 -1.26 0.05 113.70 123.30 1ya4 s SER 39 Ca -0.07 0.39 0.05 0.00 1.31 0.00 0.00 55.95 57.62 1ya4 s SER 39 Cb -0.15 -2.02 -0.04 0.00 0.21 0.00 0.00 66.02 64.03 1ya4 s SER 39 CO -0.01 0.25 -0.08 -0.22 0.41 0.00 0.00 173.24 173.59 1ya4 s LEU 40 N -1.96 3.11 -0.06 2.44 2.96 -1.26 -4.99 118.68 118.91 1ya4 s LEU 40 Ca 0.28 -0.23 -0.40 0.00 -0.22 0.00 0.00 54.13 53.57 1ya4 s LEU 40 Cb -0.13 -1.83 -0.18 0.00 0.50 0.00 0.00 46.19 44.55 1ya4 s LEU 40 CO 0.19 0.25 1.32 1.21 -1.32 0.00 0.00 176.35 178.00 1ya4 n GLU 41 N 1.29 0.57 -2.16 1.98 4.07 -1.26 -1.33 120.64 123.80 1ya4 n GLU 41 Ca -0.15 0.21 -0.15 0.00 -0.06 0.00 0.00 57.16 57.01 1ya4 n GLU 41 Cb 0.52 -1.78 -0.02 0.00 -0.06 0.00 0.00 31.44 30.10 1ya4 n GLU 41 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ya4 n GLY 42 N 2.52 0.02 2.80 8.31 0.00 -1.26 -5.01 105.19 112.57 1ya4 n GLY 42 Ca 0.22 -0.27 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 1ya4 n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ya4 s PHE 43 N -2.71 0.84 0.00 1.61 0.40 -0.44 -5.07 117.98 112.60 1ya4 s PHE 43 Ca 0.00 -0.29 0.00 0.00 -0.60 0.00 0.00 56.93 56.04 1ya4 s PHE 43 Cb 0.00 -0.89 0.00 0.00 0.51 0.00 0.00 43.02 42.64 1ya4 s PHE 43 CO 0.00 -0.37 0.82 0.00 0.70 0.00 0.00 175.22 176.37 1ya4 n ALA 44 N 5.09 -0.35 -1.68 5.36 0.00 -1.26 -4.47 120.51 123.20 1ya4 n ALA 44 Ca -0.08 0.00 -0.48 0.00 0.00 0.00 0.00 53.44 52.88 1ya4 n ALA 44 Cb 0.50 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.90 1ya4 n ALA 44 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1ya4 n GLN 45 N -1.62 2.20 -2.70 0.00 -0.06 -1.26 -4.95 117.38 108.99 1ya4 n GLN 45 Ca 0.00 0.80 -0.34 0.00 -2.00 0.00 0.00 57.00 55.46 1ya4 n GLN 45 Cb 0.00 -2.64 -0.05 0.00 -4.06 0.00 0.00 30.24 23.48 1ya4 n GLN 45 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 1ya4 s PRO 46 N 3.62 4.15 -0.01 3.69 0.04 -1.26 -4.81 135.00 140.41 1ya4 s PRO 46 Ca 0.91 1.28 -0.21 0.00 0.04 0.00 0.00 61.00 63.01 1ya4 s PRO 46 Cb -0.68 -2.29 -0.05 0.00 0.04 0.00 0.00 34.50 31.51 1ya4 s PRO 46 CO 0.49 -0.12 0.62 0.08 0.04 0.00 0.00 177.00 178.11 1ya4 s VAL 47 N -1.97 4.92 -0.19 -0.36 1.01 0.11 -4.81 120.40 119.11 1ya4 s VAL 47 Ca 0.61 1.29 -0.26 0.00 0.00 0.00 0.00 61.98 63.62 1ya4 s VAL 47 Cb -0.14 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 1ya4 s VAL 47 CO 0.19 0.39 0.88 0.00 0.00 0.00 0.00 175.10 176.55 1ya4 s ALA 48 N -0.03 3.56 -0.17 5.51 0.00 -0.32 -0.54 121.76 129.77 1ya4 s ALA 48 Ca 0.32 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1ya4 s ALA 48 Cb -0.18 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.64 1ya4 s ALA 48 CO 0.17 -0.76 -0.16 0.42 0.00 0.00 0.00 175.76 175.43 1ya4 s ILE 49 N 2.43 2.46 -0.17 0.00 1.01 -0.39 -1.50 121.20 125.04 1ya4 s ILE 49 Ca 0.39 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 60.22 1ya4 s ILE 49 Cb -0.16 -2.05 0.01 0.00 0.01 0.00 0.00 42.46 40.27 1ya4 s ILE 49 CO 0.11 0.51 -0.16 -0.36 0.00 0.00 0.00 174.94 175.05 1ya4 s PHE 50 N 1.09 2.80 -0.20 3.97 0.40 -0.66 -1.36 117.98 124.02 1ya4 s PHE 50 Ca -0.00 -1.26 -0.03 0.00 -0.60 0.00 0.00 56.93 55.04 1ya4 s PHE 50 Cb -0.14 -1.93 -0.01 0.00 0.51 0.00 0.00 43.02 41.45 1ya4 s PHE 50 CO -0.05 -0.62 -0.08 -0.51 0.70 0.00 0.00 175.22 174.66 1ya4 s LEU 51 N 1.09 2.78 0.00 -0.37 1.43 -0.30 -0.94 118.68 122.37 1ya4 s LEU 51 Ca -0.00 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 1ya4 s LEU 51 Cb -0.14 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 44.39 1ya4 s LEU 51 CO -0.05 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.16 1ya4 n GLY 52 N 4.53 0.98 3.68 -3.19 0.00 -1.18 -3.11 105.19 106.90 1ya4 n GLY 52 Ca -0.18 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 1ya4 n GLY 52 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ya4 s ILE 53 N -2.52 4.82 0.02 -0.61 1.01 -0.71 -4.82 121.20 118.40 1ya4 s ILE 53 Ca 0.00 1.85 -0.30 0.00 0.00 0.00 0.00 60.65 62.20 1ya4 s ILE 53 Cb 0.00 -4.23 -0.05 0.00 0.01 0.00 0.00 42.46 38.19 1ya4 s ILE 53 CO 0.00 0.00 1.26 -2.16 0.00 0.00 0.00 174.94 174.05 1ya4 s PRO 54 N 2.15 4.37 0.00 2.79 0.04 -1.26 -1.71 135.00 141.37 1ya4 s PRO 54 Ca 0.43 1.82 0.12 0.00 0.04 0.00 0.00 61.00 63.41 1ya4 s PRO 54 Cb -0.17 -3.44 0.17 0.00 0.04 0.00 0.00 34.50 31.10 1ya4 s PRO 54 CO 0.14 -0.39 1.00 1.97 0.04 0.00 0.00 177.00 179.76 1ya4 n PHE 55 N 4.55 0.15 -3.52 0.56 1.16 -1.05 -4.90 117.46 114.42 1ya4 n PHE 55 Ca 0.11 -0.16 -0.11 0.00 -1.87 0.00 0.00 57.45 55.42 1ya4 n PHE 55 Cb 0.45 -0.01 -0.02 0.00 -1.61 0.00 0.00 39.48 38.29 1ya4 n PHE 55 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1ya4 s ALA 56 N -0.99 -1.45 0.23 1.98 0.00 -1.25 -4.46 121.76 115.82 1ya4 s ALA 56 Ca 0.17 0.29 -0.30 0.00 0.00 0.00 0.00 51.96 52.12 1ya4 s ALA 56 Cb 0.11 0.87 -0.09 0.00 0.00 0.00 0.00 23.12 24.01 1ya4 s ALA 56 CO 0.15 -0.80 1.06 0.21 0.00 0.00 0.00 175.76 176.38 1ya4 s LYS 57 N -3.79 4.68 -0.04 0.00 2.20 0.15 -4.54 119.74 118.40 1ya4 s LYS 57 Ca 0.03 1.69 -0.38 0.00 -0.36 0.00 0.00 55.97 56.95 1ya4 s LYS 57 Cb -0.01 -3.25 -0.17 0.00 -1.51 0.00 0.00 37.83 32.89 1ya4 s LYS 57 CO -0.10 0.24 1.44 -2.30 -0.36 0.00 0.00 175.35 174.27 1ya4 n PRO 58 N 1.71 1.02 -1.05 4.03 -0.02 -1.26 -4.56 135.00 134.87 1ya4 n PRO 58 Ca 0.00 0.37 -0.14 0.00 -2.02 0.00 0.00 63.50 61.71 1ya4 n PRO 58 Cb 0.46 -2.01 -0.14 0.00 -0.02 0.00 0.00 33.50 31.79 1ya4 n PRO 58 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1ya4 n PRO 59 N 3.28 2.01 -2.42 0.52 -0.04 -1.26 -4.90 135.00 132.19 1ya4 n PRO 59 Ca 0.21 -1.17 -0.25 0.00 -0.04 0.00 0.00 63.50 62.25 1ya4 n PRO 59 Cb 0.16 -1.96 0.10 0.00 -0.04 0.00 0.00 33.50 31.76 1ya4 n PRO 59 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ya4 s LEU 60 N -0.38 2.95 0.00 1.53 1.43 -1.26 -3.46 118.68 119.49 1ya4 s LEU 60 Ca 0.61 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.67 1ya4 s LEU 60 Cb 0.31 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 44.14 1ya4 s LEU 60 CO -0.04 -1.83 0.00 0.61 0.23 0.00 0.00 176.35 175.32 1ya4 n GLY 61 N -2.92 2.95 0.26 -3.19 0.00 -1.26 -1.28 105.19 99.75 1ya4 n GLY 61 Ca 0.13 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.30 1ya4 n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ya4 h PRO 62 N 0.00 0.00 0.00 1.61 0.13 -1.92 -2.57 132.00 129.25 1ya4 h PRO 62 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ya4 h PRO 62 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ya4 h PRO 62 CO 0.00 0.13 0.00 1.28 -0.23 0.00 0.00 178.00 179.18 1ya4 n LEU 63 N -3.57 0.32 -4.76 1.56 4.77 -0.40 -4.75 117.00 110.17 1ya4 n LEU 63 Ca -0.01 0.60 -0.41 0.00 -0.03 0.00 0.00 56.01 56.16 1ya4 n LEU 63 Cb 0.26 -0.59 -0.01 0.00 -2.33 0.00 0.00 43.42 40.75 1ya4 n LEU 63 CO 0.30 -0.54 1.12 -0.60 -1.33 0.00 0.00 177.39 176.34 1ya4 s ARG 64 N -3.21 4.19 -1.20 3.23 3.52 -0.97 -2.30 118.95 122.22 1ya4 s ARG 64 Ca 0.03 2.45 -0.03 0.00 -0.13 0.00 0.00 55.73 58.05 1ya4 s ARG 64 Cb 0.07 -3.03 0.00 0.00 -1.56 0.00 0.00 34.95 30.43 1ya4 s ARG 64 CO 0.23 -0.46 0.43 1.19 -0.81 0.00 0.00 175.30 175.88 1ya4 n PHE 65 N 1.27 -1.44 -4.03 5.12 3.72 -1.26 -5.00 117.46 115.84 1ya4 n PHE 65 Ca 0.03 0.37 -0.08 0.00 -0.05 0.00 0.00 57.45 57.73 1ya4 n PHE 65 Cb 0.39 -3.64 -0.10 0.00 -0.94 0.00 0.00 39.48 35.19 1ya4 n PHE 65 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1ya4 s THR 66 N -3.01 0.19 0.82 4.37 -4.23 -0.97 -4.87 115.64 107.94 1ya4 s THR 66 Ca 0.21 -1.53 -0.13 0.00 -1.18 0.00 0.00 61.69 59.06 1ya4 s THR 66 Cb -0.09 -1.23 0.08 0.00 1.34 0.00 0.00 72.50 72.59 1ya4 s THR 66 CO 0.26 -0.84 1.08 -2.65 -0.54 0.00 0.00 174.62 171.93 1ya4 n PRO 67 N 0.40 0.09 -2.54 3.99 -0.02 -1.26 -4.94 135.00 130.73 1ya4 n PRO 67 Ca -0.16 0.10 -0.39 0.00 -2.02 0.00 0.00 63.50 61.03 1ya4 n PRO 67 Cb 0.60 -2.33 -0.04 0.00 -0.02 0.00 0.00 33.50 31.70 1ya4 n PRO 67 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ya4 s PRO 68 N -4.01 4.50 0.16 0.52 0.04 -1.26 -5.04 135.00 129.91 1ya4 s PRO 68 Ca 0.71 1.66 0.05 0.00 0.04 0.00 0.00 61.00 63.46 1ya4 s PRO 68 Cb -0.28 -2.97 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 1ya4 s PRO 68 CO 0.53 0.13 0.11 -0.65 0.04 0.00 0.00 177.00 177.16 1ya4 s GLN 69 N -1.79 2.80 0.47 4.56 -0.21 -1.26 -4.97 119.66 119.27 1ya4 s GLN 69 Ca 0.49 -0.90 -0.22 0.00 0.02 0.00 0.00 55.36 54.75 1ya4 s GLN 69 Cb -0.28 -2.60 -0.10 0.00 1.00 0.00 0.00 33.01 31.04 1ya4 s GLN 69 CO 0.35 0.49 0.85 -2.30 -2.12 0.00 0.00 175.29 172.55 1ya4 n PRO 70 N -0.24 1.00 -2.69 2.91 -0.02 -1.26 0.33 135.00 135.04 1ya4 n PRO 70 Ca -0.09 0.37 -0.36 0.00 -2.02 0.00 0.00 63.50 61.40 1ya4 n PRO 70 Cb 0.54 -1.92 -0.06 0.00 -0.02 0.00 0.00 33.50 32.05 1ya4 n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ya4 s ALA 71 N -1.42 3.11 0.09 3.55 0.00 -1.26 -3.79 121.76 122.04 1ya4 s ALA 71 Ca 0.66 0.57 -0.31 0.00 0.00 0.00 0.00 51.96 52.88 1ya4 s ALA 71 Cb -0.52 -3.21 -0.08 0.00 0.00 0.00 0.00 23.12 19.30 1ya4 s ALA 71 CO 0.55 -0.00 1.56 -1.21 0.00 0.00 0.00 175.76 176.66 1ya4 s GLU 72 N -2.52 4.23 0.28 0.00 0.41 -1.26 -4.92 118.70 114.93 1ya4 s GLU 72 Ca 0.56 2.24 -0.29 0.00 -0.41 0.00 0.00 54.97 57.07 1ya4 s GLU 72 Cb -0.18 -3.45 -0.10 0.00 -1.78 0.00 0.00 34.13 28.63 1ya4 s GLU 72 CO 0.23 -0.64 1.31 -1.25 -0.49 0.00 0.00 175.26 174.42 1ya4 s PRO 73 N 2.06 4.37 0.39 0.39 0.04 -1.26 -5.03 135.00 135.97 1ya4 s PRO 73 Ca 0.70 2.16 0.03 0.00 0.04 0.00 0.00 61.00 63.93 1ya4 s PRO 73 Cb -0.39 -3.12 -0.00 0.00 0.04 0.00 0.00 34.50 31.03 1ya4 s PRO 73 CO 0.31 -0.21 0.57 1.67 0.04 0.00 0.00 177.00 179.38 1ya4 s TRP 74 N -0.65 3.16 -0.11 0.56 -2.14 0.25 -5.03 118.94 114.98 1ya4 s TRP 74 Ca 0.52 -0.01 0.01 0.00 2.66 0.00 0.00 56.10 59.28 1ya4 s TRP 74 Cb -0.39 -2.17 -0.24 0.00 -3.10 0.00 0.00 33.47 27.57 1ya4 s TRP 74 CO 0.47 -0.20 0.38 0.43 -2.66 0.00 0.00 176.95 175.37 1ya4 n SER 75 N -1.87 1.65 0.00 -2.66 7.64 -1.26 -4.62 113.62 112.50 1ya4 n SER 75 Ca 0.01 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.11 1ya4 n SER 75 Cb 0.58 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 1ya4 n SER 75 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1ya4 n PHE 76 N -3.30 0.00 -3.99 1.43 3.01 -1.26 -4.98 117.46 108.37 1ya4 n PHE 76 Ca -0.29 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 57.83 1ya4 n PHE 76 Cb 1.05 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 40.38 1ya4 n PHE 76 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1ya4 s VAL 77 N 3.05 2.61 0.11 -4.37 1.01 -1.26 -3.84 120.40 117.71 1ya4 s VAL 77 Ca 0.00 -1.40 -0.30 0.00 0.00 0.00 0.00 61.98 60.27 1ya4 s VAL 77 Cb 0.00 -2.47 -0.06 0.00 0.00 0.00 0.00 36.38 33.85 1ya4 s VAL 77 CO 0.00 0.00 1.09 -0.75 0.00 0.00 0.00 175.10 175.44 1ya4 s LYS 78 N 1.21 4.56 -1.05 2.72 2.20 -0.76 -4.83 119.74 123.77 1ya4 s LYS 78 Ca -0.05 1.65 -0.18 0.00 -0.36 0.00 0.00 55.97 57.03 1ya4 s LYS 78 Cb -0.19 -3.34 0.13 0.00 -1.51 0.00 0.00 37.83 32.92 1ya4 s LYS 78 CO -0.04 -0.02 1.31 -0.80 -0.36 0.00 0.00 175.35 175.44 1ya4 s ASN 79 N 0.40 6.76 -1.22 1.43 -0.87 -1.26 0.23 114.94 120.40 1ya4 s ASN 79 Ca 0.52 -2.27 -0.18 0.00 -1.57 0.00 0.00 52.86 49.37 1ya4 s ASN 79 Cb -0.27 -2.44 -0.02 0.00 -0.02 0.00 0.00 41.25 38.50 1ya4 s ASN 79 CO 0.32 -1.04 2.03 0.00 -2.57 0.00 0.00 177.10 175.83 1ya4 n ALA 80 N 6.77 4.22 -1.79 0.60 0.00 0.82 -4.46 120.51 126.66 1ya4 n ALA 80 Ca 0.31 -3.64 0.03 0.00 0.00 0.00 0.00 53.44 50.14 1ya4 n ALA 80 Cb 0.47 -3.57 0.05 0.00 0.00 0.00 0.00 19.45 16.40 1ya4 n ALA 80 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ya4 n THR 81 N 5.85 0.57 -3.97 0.00 -2.24 -1.18 -1.15 114.28 112.16 1ya4 n THR 81 Ca 0.50 -0.80 -0.12 0.00 -2.27 0.00 0.00 64.05 61.36 1ya4 n THR 81 Cb 0.41 0.33 -0.13 0.00 -2.10 0.00 0.00 70.33 68.85 1ya4 n THR 81 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ya4 s SER 82 N -1.66 0.27 0.09 3.42 0.01 -1.24 -4.94 113.70 109.66 1ya4 s SER 82 Ca 0.13 -0.25 -0.31 0.00 1.31 0.00 0.00 55.95 56.83 1ya4 s SER 82 Cb 0.12 0.03 -0.09 0.00 0.21 0.00 0.00 66.02 66.30 1ya4 s SER 82 CO -0.01 -0.12 1.62 -0.31 0.41 0.00 0.00 173.24 174.83 1ya4 s TYR 83 N -0.69 2.60 0.80 2.43 2.02 -1.26 -4.04 117.35 119.21 1ya4 s TYR 83 Ca -0.06 0.43 -0.11 0.00 -0.37 0.00 0.00 57.07 56.96 1ya4 s TYR 83 Cb -0.05 -3.94 0.07 0.00 -0.40 0.00 0.00 41.96 37.65 1ya4 s TYR 83 CO -0.00 -3.67 1.10 -1.25 -1.57 0.00 0.00 175.55 170.16 1ya4 s PRO 84 N 2.25 2.03 0.91 -1.71 0.04 -1.26 -4.96 135.00 132.31 1ya4 s PRO 84 Ca 0.72 1.19 -0.11 0.00 0.04 0.00 0.00 61.00 62.84 1ya4 s PRO 84 Cb -0.40 -1.87 0.14 0.00 0.04 0.00 0.00 34.50 32.40 1ya4 s PRO 84 CO 0.32 -1.81 1.09 -2.14 0.04 0.00 0.00 177.00 174.50 1ya4 s PRO 85 N -4.87 1.14 -0.06 0.56 0.02 -1.26 -4.77 135.00 125.76 1ya4 s PRO 85 Ca 0.62 0.94 -0.04 0.00 0.02 0.00 0.00 61.00 62.54 1ya4 s PRO 85 Cb -0.18 -1.79 -0.04 0.00 0.02 0.00 0.00 34.50 32.52 1ya4 s PRO 85 CO 0.56 -2.35 0.12 0.00 -0.33 0.00 0.00 177.00 175.00 1ya4 s MET 86 N -4.86 3.29 0.66 5.54 0.23 0.11 -4.79 119.30 119.48 1ya4 s MET 86 Ca 0.64 -0.30 -0.17 0.00 -1.03 0.00 0.00 55.69 54.83 1ya4 s MET 86 Cb -0.19 -3.04 -0.04 0.00 -1.53 0.00 0.00 34.83 30.04 1ya4 s MET 86 CO 0.58 0.71 0.78 0.00 -2.03 0.00 0.00 175.02 175.06 1ya4 n THR 88 N -2.09 0.16 -3.14 0.00 -1.04 -1.18 -4.66 114.28 102.34 1ya4 n THR 88 Ca 0.12 -0.03 -0.01 0.00 -2.04 0.00 0.00 64.05 62.09 1ya4 n THR 88 Cb 0.49 -1.18 0.00 0.00 -1.82 0.00 0.00 70.33 67.82 1ya4 n THR 88 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ya4 n GLN 89 N 4.01 0.17 -2.26 -2.82 10.64 -1.26 -4.73 117.38 121.14 1ya4 n GLN 89 Ca 0.21 -0.33 -0.40 0.00 -1.83 0.00 0.00 57.00 54.65 1ya4 n GLN 89 Cb 0.20 0.41 -0.03 0.00 -0.86 0.00 0.00 30.24 29.96 1ya4 n GLN 89 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1ya4 s ASP 90 N -1.31 5.69 0.42 2.61 -1.08 -1.26 -4.87 116.67 116.86 1ya4 s ASP 90 Ca 0.02 0.07 0.22 0.00 -0.52 0.00 0.00 52.55 52.34 1ya4 s ASP 90 Cb -0.01 -2.54 1.19 0.00 -1.46 0.00 0.00 42.92 40.10 1ya4 s ASP 90 CO 0.02 -2.10 1.75 1.55 0.52 0.00 0.00 175.17 176.91 1ya4 h PRO 91 N 12.75 0.31 0.33 4.34 0.13 -1.98 1.34 132.00 149.23 1ya4 h PRO 91 Ca -0.27 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.83 1ya4 h PRO 91 Cb 1.11 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1ya4 h PRO 91 CO 1.23 0.20 -0.16 0.87 -0.23 0.00 0.00 178.00 179.91 1ya4 h LYS 92 N 0.31 -0.43 -0.95 0.86 1.57 -1.99 -1.66 116.57 114.28 1ya4 h LYS 92 Ca 0.62 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 59.57 1ya4 h LYS 92 Cb 1.72 0.10 -0.08 0.00 0.08 0.00 0.00 32.23 34.05 1ya4 h LYS 92 CO -0.29 -0.29 0.61 0.00 -0.57 0.00 0.00 179.45 178.91 1ya4 h ALA 93 N -1.29 1.68 0.56 3.86 0.00 -1.78 0.17 119.26 122.45 1ya4 h ALA 93 Ca -0.05 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1ya4 h ALA 93 Cb 0.34 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.98 1ya4 h ALA 93 CO 0.08 0.07 -0.27 0.78 0.00 0.00 0.00 179.25 179.90 1ya4 h GLY 94 N 0.84 -0.78 1.45 0.00 0.00 0.17 -1.96 103.07 102.78 1ya4 h GLY 94 Ca 0.48 0.29 -0.03 0.00 0.00 0.00 0.00 47.33 48.07 1ya4 h GLY 94 CO -0.25 -0.29 0.17 -1.61 0.00 0.00 0.00 176.54 174.56 1ya4 h GLN 95 N -0.94 0.70 -0.35 4.80 4.15 -0.95 -1.93 115.11 120.59 1ya4 h GLN 95 Ca -0.08 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.21 1ya4 h GLN 95 Cb 0.64 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.19 1ya4 h GLN 95 CO 0.13 0.60 0.14 1.25 -1.93 0.00 0.00 178.83 179.02 1ya4 h LEU 96 N 0.69 0.48 -0.67 -2.39 5.85 -0.93 -1.99 115.31 116.36 1ya4 h LEU 96 Ca 0.16 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1ya4 h LEU 96 Cb 0.18 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1ya4 h LEU 96 CO -0.01 0.51 0.21 0.25 -0.34 0.00 0.00 178.44 179.06 1ya4 h LEU 97 N 0.42 0.97 -0.61 2.25 5.85 -1.15 -2.12 115.31 120.92 1ya4 h LEU 97 Ca 0.12 -0.21 0.12 0.00 0.84 0.00 0.00 57.88 58.75 1ya4 h LEU 97 Cb 0.18 -0.25 -0.10 0.00 0.37 0.00 0.00 40.66 40.86 1ya4 h LEU 97 CO -0.01 0.92 0.06 -1.28 -0.34 0.00 0.00 178.44 177.79 1ya4 h SER 98 N 0.97 -0.14 0.35 1.25 0.87 -1.04 -2.02 113.55 113.79 1ya4 h SER 98 Ca 0.22 0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.89 1ya4 h SER 98 Cb 0.30 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 1ya4 h SER 98 CO -0.01 -0.06 -0.17 -0.33 -0.53 0.00 0.00 176.83 175.74 1ya4 h GLU 99 N 0.18 -0.45 0.00 2.24 5.08 -1.04 -0.14 114.58 120.45 1ya4 h GLU 99 Ca 0.32 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1ya4 h GLU 99 Cb 0.50 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1ya4 h GLU 99 CO -0.47 -0.17 0.00 1.28 -1.00 0.00 0.00 179.01 178.66 1ya4 n LEU 100 N -5.19 0.47 -0.00 1.33 4.77 -0.83 -3.13 117.00 114.41 1ya4 n LEU 100 Ca -0.10 0.72 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 1ya4 n LEU 100 Cb 0.26 -0.78 -0.01 0.00 -2.33 0.00 0.00 43.42 40.57 1ya4 n LEU 100 CO 0.32 -0.88 -0.51 0.49 -1.33 0.00 0.00 177.39 175.48 1ya4 n PHE 101 N -2.13 0.00 -1.62 -1.77 3.01 -0.79 -4.99 117.46 109.17 1ya4 n PHE 101 Ca -0.01 0.00 -0.49 0.00 1.01 0.00 0.00 57.45 57.96 1ya4 n PHE 101 Cb 0.03 -0.02 -0.04 0.00 -0.01 0.00 0.00 39.48 39.43 1ya4 n PHE 101 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1ya4 n THR 102 N -1.68 0.43 1.27 4.37 5.66 -0.07 -4.86 114.28 119.40 1ya4 n THR 102 Ca -0.00 -0.11 0.13 0.00 -3.05 0.00 0.00 64.05 61.02 1ya4 n THR 102 Cb 0.18 -1.09 0.36 0.00 -1.55 0.00 0.00 70.33 68.22 1ya4 n THR 102 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1ya4 n ASN 103 N 2.49 1.41 -4.97 1.09 6.94 -1.26 -4.94 115.26 116.02 1ya4 n ASN 103 Ca 0.16 -1.21 -0.21 0.00 -0.02 0.00 0.00 54.58 53.30 1ya4 n ASN 103 Cb 0.25 0.13 0.01 0.00 -2.36 0.00 0.00 39.78 37.81 1ya4 n ASN 103 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ya4 s ARG 104 N -2.32 2.99 0.00 -3.83 1.70 -1.26 -4.15 118.95 112.08 1ya4 s ARG 104 Ca 0.28 -0.76 0.00 0.00 -0.47 0.00 0.00 55.73 54.78 1ya4 s ARG 104 Cb 0.20 -2.65 0.00 0.00 -0.57 0.00 0.00 34.95 31.93 1ya4 s ARG 104 CO 0.46 -0.22 0.96 0.36 -1.08 0.00 0.00 175.30 175.77 1ya4 n LYS 105 N -1.96 0.00 -3.57 3.89 2.85 -1.25 -4.66 118.16 113.46 1ya4 n LYS 105 Ca 0.02 0.66 -0.38 0.00 -1.05 0.00 0.00 58.31 57.57 1ya4 n LYS 105 Cb 0.58 -1.46 -0.06 0.00 -0.65 0.00 0.00 35.03 33.44 1ya4 n LYS 105 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 1ya4 s GLU 106 N -2.84 3.92 0.13 -1.58 -1.05 -1.26 -5.04 118.70 110.98 1ya4 s GLU 106 Ca 0.00 0.26 -0.30 0.00 -0.15 0.00 0.00 54.97 54.78 1ya4 s GLU 106 Cb 0.00 -3.27 -0.06 0.00 -0.44 0.00 0.00 34.13 30.36 1ya4 s GLU 106 CO 0.00 0.59 1.00 1.21 0.95 0.00 0.00 175.26 179.01 1ya4 s ASN 107 N -0.68 7.43 -0.31 0.83 3.04 -1.26 -4.99 114.94 119.01 1ya4 s ASN 107 Ca 0.21 1.89 -0.18 0.00 0.04 0.00 0.00 52.86 54.81 1ya4 s ASN 107 Cb -0.15 -2.59 -0.02 0.00 -1.54 0.00 0.00 41.25 36.95 1ya4 s ASN 107 CO 0.10 -0.11 0.53 -0.63 -3.04 0.00 0.00 177.10 173.95 1ya4 s ILE 108 N -0.09 5.03 0.10 -5.21 -1.09 -1.26 -5.04 121.20 113.65 1ya4 s ILE 108 Ca 0.48 0.64 -0.31 0.00 -2.23 0.00 0.00 60.65 59.23 1ya4 s ILE 108 Cb -0.25 -3.91 -0.08 0.00 -1.58 0.00 0.00 42.46 36.64 1ya4 s ILE 108 CO 0.31 -0.07 1.39 -2.16 -1.23 0.00 0.00 174.94 173.18 1ya4 s PRO 109 N 2.39 4.32 0.47 2.79 0.04 -1.26 -5.00 135.00 138.74 1ya4 s PRO 109 Ca 0.21 2.07 0.08 0.00 0.04 0.00 0.00 61.00 63.39 1ya4 s PRO 109 Cb -0.15 -3.28 0.02 0.00 0.04 0.00 0.00 34.50 31.12 1ya4 s PRO 109 CO 0.11 -0.45 0.52 -0.51 0.04 0.00 0.00 177.00 176.72 1ya4 s LEU 110 N 1.23 3.33 0.23 -3.56 1.43 -1.26 -5.12 118.68 114.96 1ya4 s LEU 110 Ca 0.65 -0.73 0.10 0.00 -1.03 0.00 0.00 54.13 53.12 1ya4 s LEU 110 Cb -0.36 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 1ya4 s LEU 110 CO 0.30 -0.88 -0.07 -0.75 0.23 0.00 0.00 176.35 175.17 1ya4 s LYS 111 N -4.33 2.10 -0.05 1.70 2.47 -1.26 -4.97 119.74 115.39 1ya4 s LYS 111 Ca 0.51 -1.41 -0.01 0.00 -1.56 0.00 0.00 55.97 53.50 1ya4 s LYS 111 Cb -0.06 -2.10 -0.04 0.00 -1.46 0.00 0.00 37.83 34.18 1ya4 s LYS 111 CO 0.31 0.39 0.04 -0.51 0.16 0.00 0.00 175.35 175.74 1ya4 s LEU 112 N -3.30 3.75 -0.26 5.43 1.43 -1.26 0.05 118.68 124.53 1ya4 s LEU 112 Ca 0.28 0.16 -0.29 0.00 -1.03 0.00 0.00 54.13 53.25 1ya4 s LEU 112 Cb -0.07 -2.01 0.17 0.00 0.03 0.00 0.00 46.19 44.32 1ya4 s LEU 112 CO 0.17 0.34 1.27 -0.55 0.23 0.00 0.00 176.35 177.80 1ya4 s SER 113 N -1.25 -0.14 0.46 2.29 0.15 -1.08 -4.91 113.70 109.22 1ya4 s SER 113 Ca 0.17 0.16 0.26 0.00 0.70 0.00 0.00 55.95 57.24 1ya4 s SER 113 Cb -0.12 0.13 1.00 0.00 -1.71 0.00 0.00 66.02 65.33 1ya4 s SER 113 CO 0.07 -0.11 1.86 -0.33 1.20 0.00 0.00 173.24 175.92 1ya4 h GLU 114 N 2.36 0.00 -5.99 5.44 5.08 -1.94 -3.12 114.58 116.40 1ya4 h GLU 114 Ca -0.13 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.65 1ya4 h GLU 114 Cb 1.18 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.33 1ya4 h GLU 114 CO 0.24 0.18 0.88 0.34 -1.00 0.00 0.00 179.01 179.65 1ya4 s ASP 115 N -6.11 6.19 0.00 1.42 2.15 -1.26 -4.45 116.67 114.60 1ya4 s ASP 115 Ca 0.01 -0.72 0.00 0.00 0.43 0.00 0.00 52.55 52.27 1ya4 s ASP 115 Cb 0.10 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 1ya4 s ASP 115 CO 0.62 -1.67 0.15 0.00 -0.17 0.00 0.00 175.17 174.10 1ya4 n LEU 117 N 0.00 5.12 -4.44 0.00 4.77 -1.26 -4.67 117.00 116.52 1ya4 n LEU 117 Ca 0.00 -3.84 -0.21 0.00 -0.03 0.00 0.00 56.01 51.93 1ya4 n LEU 117 Cb 0.44 -1.70 -0.11 0.00 -2.33 0.00 0.00 43.42 39.73 1ya4 n LEU 117 CO 0.00 0.11 -0.30 -0.31 -1.33 0.00 0.00 177.39 175.56 1ya4 s TYR 118 N 4.82 1.94 0.03 -1.77 1.51 -1.26 -2.52 117.35 120.10 1ya4 s TYR 118 Ca 0.54 -0.88 -0.06 0.00 -1.01 0.00 0.00 57.07 55.67 1ya4 s TYR 118 Cb 0.06 -1.22 -0.01 0.00 -0.11 0.00 0.00 41.96 40.68 1ya4 s TYR 118 CO 0.05 0.09 0.11 -0.48 -1.11 0.00 0.00 175.55 174.21 1ya4 s LEU 119 N -3.46 1.73 0.01 -1.29 0.05 -0.70 -2.35 118.68 112.67 1ya4 s LEU 119 Ca 0.34 -0.44 0.05 0.00 0.05 0.00 0.00 54.13 54.13 1ya4 s LEU 119 Cb 0.07 0.63 -0.03 0.00 -2.05 0.00 0.00 46.19 44.81 1ya4 s LEU 119 CO 0.14 -0.47 -0.13 0.20 -0.55 0.00 0.00 176.35 175.54 1ya4 s ASN 120 N -1.92 4.18 0.03 1.48 0.01 0.11 -1.74 114.94 117.09 1ya4 s ASN 120 Ca -0.08 -0.28 0.08 0.00 -0.71 0.00 0.00 52.86 51.87 1ya4 s ASN 120 Cb -0.03 -0.84 -0.02 0.00 0.41 0.00 0.00 41.25 40.77 1ya4 s ASN 120 CO -0.03 0.28 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.98 1ya4 s ILE 121 N -0.93 1.80 -0.25 0.60 1.01 -0.12 -0.85 121.20 122.46 1ya4 s ILE 121 Ca 0.15 -1.16 -0.01 0.00 0.00 0.00 0.00 60.65 59.63 1ya4 s ILE 121 Cb -0.11 -1.53 0.08 0.00 0.01 0.00 0.00 42.46 40.91 1ya4 s ILE 121 CO 0.06 0.33 0.05 -0.31 0.00 0.00 0.00 174.94 175.07 1ya4 s TYR 122 N -0.71 1.53 -0.20 3.97 1.51 0.10 -1.66 117.35 121.88 1ya4 s TYR 122 Ca 0.09 -1.37 0.01 0.00 -1.01 0.00 0.00 57.07 54.79 1ya4 s TYR 122 Cb -0.09 -1.40 0.02 0.00 -0.11 0.00 0.00 41.96 40.39 1ya4 s TYR 122 CO 0.01 -0.75 -0.15 -0.08 -1.11 0.00 0.00 175.55 173.47 1ya4 s THR 123 N 1.68 2.30 -1.25 -0.71 -1.32 -0.57 -1.11 115.64 114.66 1ya4 s THR 123 Ca 0.03 -1.02 0.28 0.00 -1.21 0.00 0.00 61.69 59.77 1ya4 s THR 123 Cb -0.17 -2.06 0.39 0.00 -1.51 0.00 0.00 72.50 69.14 1ya4 s THR 123 CO -0.15 0.40 1.94 -0.81 -2.21 0.00 0.00 174.62 173.79 1ya4 n PRO 124 N 4.61 0.24 -2.17 7.08 -0.04 -1.26 -1.18 135.00 142.28 1ya4 n PRO 124 Ca -0.19 0.02 -0.36 0.00 -0.04 0.00 0.00 63.50 62.93 1ya4 n PRO 124 Cb 0.48 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.46 1ya4 n PRO 124 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ya4 s ALA 125 N -2.75 2.67 -0.76 0.55 0.00 -1.26 -4.83 121.76 115.37 1ya4 s ALA 125 Ca 0.21 0.90 -0.22 0.00 0.00 0.00 0.00 51.96 52.86 1ya4 s ALA 125 Cb 0.19 -3.40 0.08 0.00 0.00 0.00 0.00 23.12 19.99 1ya4 s ALA 125 CO 0.46 -0.90 1.08 0.34 0.00 0.00 0.00 175.76 176.74 1ya4 s ASP 126 N -1.67 6.31 0.00 0.00 2.15 -1.26 -4.75 116.67 117.45 1ya4 s ASP 126 Ca 0.74 -1.22 0.00 0.00 0.43 0.00 0.00 52.55 52.50 1ya4 s ASP 126 Cb -0.27 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 1ya4 s ASP 126 CO 0.30 -1.41 0.78 0.18 -0.17 0.00 0.00 175.17 174.86 1ya4 n LEU 127 N 7.74 0.00 -0.12 -1.34 4.77 -1.26 -1.39 117.00 125.40 1ya4 n LEU 127 Ca 0.07 0.31 0.13 0.00 -0.03 0.00 0.00 56.01 56.48 1ya4 n LEU 127 Cb 0.47 -0.31 0.71 0.00 -2.33 0.00 0.00 43.42 41.97 1ya4 n LEU 127 CO 0.62 -0.31 0.97 0.35 -1.33 0.00 0.00 177.39 177.69 1ya4 n THR 128 N -1.28 0.02 -4.11 -5.08 -2.24 -1.26 -4.82 114.28 95.50 1ya4 n THR 128 Ca 0.00 -0.07 -0.10 0.00 -2.27 0.00 0.00 64.05 61.61 1ya4 n THR 128 Cb 0.05 -0.21 -0.09 0.00 -2.10 0.00 0.00 70.33 67.98 1ya4 n THR 128 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ya4 s LYS 129 N -1.98 1.01 0.19 -0.78 1.02 -0.48 -5.13 119.74 113.59 1ya4 s LYS 129 Ca 0.39 -1.40 -0.30 0.00 0.02 0.00 0.00 55.97 54.68 1ya4 s LYS 129 Cb 0.19 0.28 -0.08 0.00 -0.52 0.00 0.00 37.83 37.70 1ya4 s LYS 129 CO 0.31 -0.31 1.02 0.21 -0.92 0.00 0.00 175.35 175.65 1ya4 s LYS 130 N -4.04 4.71 -0.11 1.68 2.20 -1.26 -4.86 119.74 118.05 1ya4 s LYS 130 Ca 0.24 1.59 -0.09 0.00 -0.36 0.00 0.00 55.97 57.35 1ya4 s LYS 130 Cb 0.06 -3.29 0.03 0.00 -1.51 0.00 0.00 37.83 33.12 1ya4 s LYS 130 CO 0.03 0.26 0.29 -0.80 -0.36 0.00 0.00 175.35 174.77 1ya4 s ASN 131 N -0.50 -0.31 -0.49 1.43 0.01 -1.26 -5.05 114.94 108.77 1ya4 s ASN 131 Ca 0.46 0.59 0.08 0.00 -0.71 0.00 0.00 52.86 53.28 1ya4 s ASN 131 Cb -0.27 0.58 0.35 0.00 0.41 0.00 0.00 41.25 42.32 1ya4 s ASN 131 CO 0.34 -0.11 0.86 0.54 -1.51 0.00 0.00 177.10 177.22 1ya4 n ARG 132 N 3.12 2.28 -2.31 -0.60 3.00 -1.25 -3.05 116.66 117.86 1ya4 n ARG 132 Ca -0.15 -4.22 -0.36 0.00 -0.01 0.00 0.00 57.85 53.12 1ya4 n ARG 132 Cb 0.57 -2.00 -0.01 0.00 0.00 0.00 0.00 32.46 31.02 1ya4 n ARG 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1ya4 s LEU 133 N -3.05 3.88 0.46 0.55 1.43 -0.69 -3.89 118.68 117.37 1ya4 s LEU 133 Ca 0.45 2.19 -0.25 0.00 -1.03 0.00 0.00 54.13 55.49 1ya4 s LEU 133 Cb 0.32 -4.43 -0.08 0.00 0.03 0.00 0.00 46.19 42.02 1ya4 s LEU 133 CO -0.11 -1.02 1.43 -0.81 0.23 0.00 0.00 176.35 176.07 1ya4 n PRO 134 N -0.90 2.21 -4.00 1.29 -0.04 -1.26 0.01 135.00 132.31 1ya4 n PRO 134 Ca 0.09 0.79 -0.35 0.00 -0.04 0.00 0.00 63.50 63.99 1ya4 n PRO 134 Cb 0.50 -2.63 -0.08 0.00 -0.04 0.00 0.00 33.50 31.24 1ya4 n PRO 134 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ya4 s VAL 135 N -1.20 4.98 -0.31 0.52 1.01 -0.92 -1.38 120.40 123.10 1ya4 s VAL 135 Ca 0.62 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.66 1ya4 s VAL 135 Cb -0.45 -3.20 0.09 0.00 0.00 0.00 0.00 36.38 32.82 1ya4 s VAL 135 CO 0.57 0.53 -0.00 -0.04 0.00 0.00 0.00 175.10 176.16 1ya4 s MET 136 N -0.26 1.70 -0.22 2.72 -1.94 0.29 0.06 119.30 121.65 1ya4 s MET 136 Ca 0.09 -1.67 -0.21 0.00 -1.71 0.00 0.00 55.69 52.19 1ya4 s MET 136 Cb -0.12 -3.06 -0.02 0.00 2.01 0.00 0.00 34.83 33.64 1ya4 s MET 136 CO 0.01 -0.82 0.67 0.08 -0.01 0.00 0.00 175.02 174.96 1ya4 s VAL 137 N 1.00 4.97 -0.23 -6.03 1.01 0.26 -1.04 120.40 120.34 1ya4 s VAL 137 Ca 0.04 1.25 -0.08 0.00 0.00 0.00 0.00 61.98 63.18 1ya4 s VAL 137 Cb -0.19 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 1ya4 s VAL 137 CO -0.07 0.05 0.10 0.86 0.00 0.00 0.00 175.10 176.03 1ya4 s TRP 138 N 2.29 3.21 -0.38 5.22 -0.11 0.12 -1.19 118.94 128.10 1ya4 s TRP 138 Ca 0.29 -0.04 -0.07 0.00 1.22 0.00 0.00 56.10 57.50 1ya4 s TRP 138 Cb -0.16 -2.21 0.07 0.00 -1.50 0.00 0.00 33.47 29.67 1ya4 s TRP 138 CO 0.09 -0.06 0.19 0.42 -4.62 0.00 0.00 176.95 172.96 1ya4 s ILE 139 N 1.08 3.93 0.94 5.86 1.01 -0.72 -2.48 121.20 130.82 1ya4 s ILE 139 Ca 0.05 -1.36 -0.11 0.00 0.00 0.00 0.00 60.65 59.23 1ya4 s ILE 139 Cb -0.14 -3.36 0.16 0.00 0.01 0.00 0.00 42.46 39.13 1ya4 s ILE 139 CO 0.04 -0.39 1.10 -1.38 0.00 0.00 0.00 174.94 174.32 1ya4 s HIS 140 N 1.38 1.81 0.16 3.97 -3.43 -1.26 -3.44 115.29 114.48 1ya4 s HIS 140 Ca 0.02 1.55 0.02 0.00 -0.80 0.00 0.00 55.06 55.84 1ya4 s HIS 140 Cb -0.21 -3.22 0.02 0.00 -1.43 0.00 0.00 32.58 27.73 1ya4 s HIS 140 CO 0.02 -2.82 0.15 0.41 -2.00 0.00 0.00 174.74 170.49 1ya4 n GLY 141 N -0.09 2.67 0.00 -1.38 0.00 -1.19 -3.52 105.19 101.68 1ya4 n GLY 141 Ca 0.09 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1ya4 n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ya4 n GLY 142 N 3.08 0.00 2.52 -0.02 0.00 -1.25 -4.39 105.19 105.13 1ya4 n GLY 142 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1ya4 n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ya4 n GLY 143 N 0.00 1.14 3.20 -0.02 0.00 -1.26 -1.65 105.19 106.60 1ya4 n GLY 143 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ya4 n GLY 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ya4 n LEU 144 N -2.57 0.86 -0.02 0.99 4.77 -1.26 -4.72 117.00 115.04 1ya4 n LEU 144 Ca -0.22 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 1ya4 n LEU 144 Cb 0.68 -1.91 -0.07 0.00 -2.33 0.00 0.00 43.42 39.79 1ya4 n LEU 144 CO 0.30 -0.71 -0.69 0.23 -1.33 0.00 0.00 177.39 175.19 1ya4 n MET 145 N -0.39 1.49 -4.08 3.23 2.81 -0.81 0.09 117.12 119.47 1ya4 n MET 145 Ca 0.00 -0.04 -0.10 0.00 -1.81 0.00 0.00 57.70 55.75 1ya4 n MET 145 Cb 0.28 -1.21 -0.07 0.00 -0.71 0.00 0.00 33.22 31.51 1ya4 n MET 145 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1ya4 s VAL 146 N -2.40 0.00 0.00 2.03 -7.23 -0.66 -4.41 120.40 107.73 1ya4 s VAL 146 Ca -0.04 -1.66 0.00 0.00 -1.81 0.00 0.00 61.98 58.48 1ya4 s VAL 146 Cb 0.04 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.68 1ya4 s VAL 146 CO 0.35 -0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.73 1ya4 n GLY 147 N -0.32 2.08 3.60 2.32 0.00 -1.26 -3.84 105.19 107.76 1ya4 n GLY 147 Ca -0.00 -2.12 -0.06 0.00 0.00 0.00 0.00 46.02 43.83 1ya4 n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ya4 s ALA 148 N -1.65 -2.01 0.19 4.61 0.00 -1.26 -4.67 121.76 116.97 1ya4 s ALA 148 Ca 0.00 1.65 0.01 0.00 0.00 0.00 0.00 51.96 53.62 1ya4 s ALA 148 Cb 0.00 -0.77 0.09 0.00 0.00 0.00 0.00 23.12 22.44 1ya4 s ALA 148 CO 0.00 -0.37 1.45 0.00 0.00 0.00 0.00 175.76 176.84 1ya4 h ALA 149 N 2.25 0.63 -0.00 0.00 0.00 -1.92 -3.21 119.26 117.01 1ya4 h ALA 149 Ca -0.13 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1ya4 h ALA 149 Cb 1.18 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1ya4 h ALA 149 CO 0.27 0.80 0.05 0.77 0.00 0.00 0.00 179.25 181.13 1ya4 h SER 150 N 0.20 0.00 -0.67 0.00 0.02 -1.92 -2.36 113.55 108.82 1ya4 h SER 150 Ca -0.03 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1ya4 h SER 150 Cb 1.32 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.83 1ya4 h SER 150 CO 0.12 0.00 0.37 0.74 -1.14 0.00 0.00 176.83 176.92 1ya4 h THR 151 N 0.00 1.21 -3.45 -2.27 2.02 -1.93 -3.41 112.91 105.08 1ya4 h THR 151 Ca 0.00 -0.52 -0.61 0.00 0.77 0.00 0.00 66.41 66.05 1ya4 h THR 151 Cb 0.10 0.34 -0.11 0.00 -1.74 0.00 0.00 68.15 66.73 1ya4 h THR 151 CO -0.00 0.23 0.27 -0.31 0.37 0.00 0.00 175.52 176.08 1ya4 s TYR 152 N -5.85 3.24 -0.23 3.16 1.51 -0.89 -3.98 117.35 114.31 1ya4 s TYR 152 Ca -0.13 0.79 -0.15 0.00 -1.01 0.00 0.00 57.07 56.57 1ya4 s TYR 152 Cb 0.14 -3.02 -0.04 0.00 -0.11 0.00 0.00 41.96 38.93 1ya4 s TYR 152 CO 0.79 -0.45 0.37 0.34 -1.11 0.00 0.00 175.55 175.48 1ya4 s ASP 153 N 1.55 6.33 0.00 2.29 3.68 -1.26 -4.98 116.67 124.28 1ya4 s ASP 153 Ca 0.29 0.39 0.28 0.00 2.13 0.00 0.00 52.55 55.63 1ya4 s ASP 153 Cb -0.15 -2.21 0.96 0.00 -1.45 0.00 0.00 42.92 40.07 1ya4 s ASP 153 CO 0.10 -0.11 1.69 0.61 0.13 0.00 0.00 175.17 177.60 1ya4 n GLY 154 N 4.26 0.09 0.40 2.66 0.00 -1.26 -4.52 105.19 106.82 1ya4 n GLY 154 Ca -0.09 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.37 1ya4 n GLY 154 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ya4 h LEU 155 N 2.56 -1.57 0.35 0.99 5.85 -1.93 -1.27 115.31 120.28 1ya4 h LEU 155 Ca 0.00 0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 1ya4 h LEU 155 Cb 0.55 0.70 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 1ya4 h LEU 155 CO 0.00 -0.35 -0.28 0.00 -0.34 0.00 0.00 178.44 177.48 1ya4 h ALA 156 N 0.49 -1.03 -0.80 1.25 0.00 -1.84 -1.24 119.26 116.09 1ya4 h ALA 156 Ca 0.16 -0.12 0.18 0.00 0.00 0.00 0.00 54.91 55.13 1ya4 h ALA 156 Cb 0.57 0.47 -0.11 0.00 0.00 0.00 0.00 17.79 18.71 1ya4 h ALA 156 CO -0.67 -1.03 0.28 1.25 0.00 0.00 0.00 179.25 179.08 1ya4 h LEU 157 N -0.61 0.17 0.25 0.00 5.85 -1.76 0.34 115.31 119.56 1ya4 h LEU 157 Ca -0.05 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1ya4 h LEU 157 Cb 0.51 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.70 1ya4 h LEU 157 CO 0.00 0.00 -0.12 0.00 -0.34 0.00 0.00 178.44 177.99 1ya4 h ALA 158 N 1.64 -0.33 0.67 1.25 0.00 -1.15 -2.13 119.26 119.21 1ya4 h ALA 158 Ca 0.47 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 1ya4 h ALA 158 Cb 0.83 0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.75 1ya4 h ALA 158 CO -0.50 -0.65 -0.32 0.00 0.00 0.00 0.00 179.25 177.77 1ya4 h ALA 159 N 0.34 -1.14 -0.86 0.00 0.00 -0.06 -0.03 119.26 117.51 1ya4 h ALA 159 Ca -0.03 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 54.80 1ya4 h ALA 159 Cb 0.30 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 1ya4 h ALA 159 CO 0.06 -1.08 0.56 0.45 0.00 0.00 0.00 179.25 179.23 1ya4 h HIS 160 N -0.97 0.81 -0.09 0.00 -0.00 -0.46 -3.14 115.15 111.30 1ya4 h HIS 160 Ca -0.09 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.30 1ya4 h HIS 160 Cb 0.69 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 27.84 1ya4 h HIS 160 CO 0.06 0.34 0.00 0.39 -0.00 0.00 0.00 177.93 178.71 1ya4 n GLU 161 N -4.54 1.25 -3.56 2.45 -0.58 -0.80 -5.01 120.64 109.84 1ya4 n GLU 161 Ca 0.16 -1.29 -0.25 0.00 -0.42 0.00 0.00 57.16 55.35 1ya4 n GLU 161 Cb 0.41 -1.13 0.04 0.00 -0.57 0.00 0.00 31.44 30.18 1ya4 n GLU 161 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1ya4 n ASN 162 N 0.21 -5.76 -4.03 1.62 2.85 -0.04 -5.01 115.26 105.11 1ya4 n ASN 162 Ca 0.05 -0.87 -0.12 0.00 -0.11 0.00 0.00 54.58 53.53 1ya4 n ASN 162 Cb 0.24 -3.69 -0.11 0.00 1.24 0.00 0.00 39.78 37.46 1ya4 n ASN 162 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1ya4 s VAL 163 N -3.36 0.40 -0.38 3.44 -7.23 -1.17 -4.56 120.40 107.54 1ya4 s VAL 163 Ca 0.38 -0.97 -0.24 0.00 -1.81 0.00 0.00 61.98 59.34 1ya4 s VAL 163 Cb -0.12 -0.48 0.01 0.00 0.56 0.00 0.00 36.38 36.35 1ya4 s VAL 163 CO 0.84 -0.39 0.86 -0.69 -0.31 0.00 0.00 175.10 175.40 1ya4 s VAL 164 N -1.32 4.64 -0.20 1.32 1.01 -0.48 -4.26 120.40 121.11 1ya4 s VAL 164 Ca -0.11 0.97 -0.14 0.00 0.00 0.00 0.00 61.98 62.70 1ya4 s VAL 164 Cb -0.09 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 1ya4 s VAL 164 CO -0.00 -0.54 0.30 -0.69 0.00 0.00 0.00 175.10 174.18 1ya4 s VAL 165 N 3.33 5.27 -0.11 2.92 1.01 -0.27 -0.55 120.40 132.01 1ya4 s VAL 165 Ca 0.35 0.51 0.03 0.00 0.00 0.00 0.00 61.98 62.87 1ya4 s VAL 165 Cb -0.12 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.63 1ya4 s VAL 165 CO 0.19 0.31 -0.21 -0.69 0.00 0.00 0.00 175.10 174.70 1ya4 s VAL 166 N 1.02 1.91 -0.19 2.92 1.01 -0.21 -0.72 120.40 126.15 1ya4 s VAL 166 Ca 0.15 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 1ya4 s VAL 166 Cb -0.14 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 1ya4 s VAL 166 CO 0.06 0.53 -0.05 0.42 0.00 0.00 0.00 175.10 176.05 1ya4 s THR 167 N 0.57 3.51 0.33 3.92 -4.23 -0.03 0.11 115.64 119.83 1ya4 s THR 167 Ca -0.14 -0.47 0.08 0.00 -1.18 0.00 0.00 61.69 59.98 1ya4 s THR 167 Cb -0.17 -2.56 -0.04 0.00 1.34 0.00 0.00 72.50 71.07 1ya4 s THR 167 CO 0.04 0.46 0.16 0.27 -0.54 0.00 0.00 174.62 175.01 1ya4 s ILE 168 N 0.97 3.17 0.22 2.99 -4.36 -1.03 0.10 121.20 123.26 1ya4 s ILE 168 Ca -0.00 -1.65 0.07 0.00 -0.26 0.00 0.00 60.65 58.81 1ya4 s ILE 168 Cb -0.15 -3.01 -0.05 0.00 1.25 0.00 0.00 42.46 40.50 1ya4 s ILE 168 CO 0.01 -0.20 -0.12 -1.10 0.24 0.00 0.00 174.94 173.77 1ya4 s GLN 169 N -3.86 1.39 -0.07 0.37 -0.21 -0.99 -4.28 119.66 112.02 1ya4 s GLN 169 Ca 0.38 -1.64 -0.25 0.00 0.02 0.00 0.00 55.36 53.86 1ya4 s GLN 169 Cb -0.03 -1.12 0.06 0.00 1.00 0.00 0.00 33.01 32.91 1ya4 s GLN 169 CO 0.23 0.14 0.57 1.52 -2.12 0.00 0.00 175.29 175.63 1ya4 s TYR 170 N -2.99 -0.53 0.13 0.91 1.13 -1.26 -4.66 117.35 110.08 1ya4 s TYR 170 Ca 0.24 0.97 -0.35 0.00 -1.41 0.00 0.00 57.07 56.53 1ya4 s TYR 170 Cb 0.01 0.30 -0.15 0.00 -1.10 0.00 0.00 41.96 41.01 1ya4 s TYR 170 CO 0.08 -0.51 1.48 0.54 -2.51 0.00 0.00 175.55 174.64 1ya4 n ARG 171 N 1.29 1.76 -4.24 -3.49 1.74 -1.26 -4.87 116.66 107.58 1ya4 n ARG 171 Ca -0.19 0.63 -0.28 0.00 -0.77 0.00 0.00 57.85 57.24 1ya4 n ARG 171 Cb 0.57 -2.35 -0.05 0.00 -1.02 0.00 0.00 32.46 29.61 1ya4 n ARG 171 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ya4 s LEU 172 N 0.73 2.68 0.00 0.55 1.43 -1.26 -3.97 118.68 118.83 1ya4 s LEU 172 Ca 0.81 -1.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.57 1ya4 s LEU 172 Cb -0.79 -1.10 0.00 0.00 0.03 0.00 0.00 46.19 44.34 1ya4 s LEU 172 CO 0.42 -0.87 0.00 0.61 0.23 0.00 0.00 176.35 176.73 1ya4 n GLY 173 N -1.46 1.66 0.28 -3.19 0.00 0.11 -1.80 105.19 100.80 1ya4 n GLY 173 Ca -0.07 -0.48 -0.01 0.00 0.00 0.00 0.00 46.02 45.46 1ya4 n GLY 173 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ya4 h ILE 174 N 0.00 1.02 -0.79 -0.61 2.04 -1.92 -1.24 117.51 116.02 1ya4 h ILE 174 Ca 0.00 -0.28 0.11 0.00 1.00 0.00 0.00 64.86 65.69 1ya4 h ILE 174 Cb 0.00 0.14 -0.05 0.00 -0.74 0.00 0.00 36.82 36.16 1ya4 h ILE 174 CO 0.00 0.15 0.51 -0.50 0.00 0.00 0.00 178.15 178.31 1ya4 h TRP 175 N 0.81 0.72 -0.00 1.37 6.55 -1.87 -2.19 115.95 121.35 1ya4 h TRP 175 Ca 0.32 0.02 0.00 0.00 0.95 0.00 0.00 58.89 60.18 1ya4 h TRP 175 Cb 0.14 -0.23 0.00 0.00 -0.86 0.00 0.00 29.16 28.21 1ya4 h TRP 175 CO -0.06 0.32 -0.64 0.41 -1.05 0.00 0.00 178.44 177.43 1ya4 n GLY 176 N -1.46 -0.35 0.00 1.49 0.00 -0.74 -4.48 105.19 99.64 1ya4 n GLY 176 Ca 0.14 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1ya4 n GLY 176 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ya4 n PHE 177 N -1.08 0.00 -1.86 1.61 3.72 -0.51 0.72 117.46 120.06 1ya4 n PHE 177 Ca 0.04 -0.02 -0.42 0.00 -0.05 0.00 0.00 57.45 57.00 1ya4 n PHE 177 Cb 0.26 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.77 1ya4 n PHE 177 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 1ya4 s PHE 178 N -0.04 2.79 0.01 1.38 2.19 -0.83 -4.48 117.98 118.99 1ya4 s PHE 178 Ca 0.00 0.42 0.02 0.00 0.33 0.00 0.00 56.93 57.70 1ya4 s PHE 178 Cb 0.00 -4.01 -0.01 0.00 -1.31 0.00 0.00 43.02 37.68 1ya4 s PHE 178 CO 0.00 -3.89 -0.06 0.45 1.83 0.00 0.00 175.22 173.55 1ya4 s SER 179 N 1.60 0.70 0.00 6.13 0.15 -1.26 -3.97 113.70 117.05 1ya4 s SER 179 Ca 0.73 -0.28 0.15 0.00 0.70 0.00 0.00 55.95 57.26 1ya4 s SER 179 Cb -0.45 -0.02 0.04 0.00 -1.71 0.00 0.00 66.02 63.88 1ya4 s SER 179 CO 0.32 -0.05 0.87 0.35 1.20 0.00 0.00 173.24 175.94 1ya4 n THR 180 N 2.34 0.00 -0.12 6.45 -2.24 0.06 -4.45 114.28 116.32 1ya4 n THR 180 Ca -0.17 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 1ya4 n THR 180 Cb 0.57 1.23 0.00 0.00 -2.10 0.00 0.00 70.33 70.02 1ya4 n THR 180 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ya4 n GLY 181 N 1.03 1.88 2.45 3.38 0.00 -1.25 -4.32 105.19 108.36 1ya4 n GLY 181 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 1ya4 n GLY 181 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ya4 n ASP 182 N 0.00 1.41 0.10 1.61 3.85 -1.26 -5.01 116.55 117.24 1ya4 n ASP 182 Ca 0.00 -2.57 0.09 0.00 -0.71 0.00 0.00 54.79 51.59 1ya4 n ASP 182 Cb 0.00 0.68 0.41 0.00 -1.35 0.00 0.00 41.12 40.85 1ya4 n ASP 182 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 1ya4 n GLU 183 N -0.70 0.11 0.00 0.11 0.00 -1.26 -2.11 120.64 116.79 1ya4 n GLU 183 Ca -0.06 0.49 0.12 0.00 0.00 0.00 0.00 57.16 57.71 1ya4 n GLU 183 Cb 0.44 -1.78 0.55 0.00 0.00 0.00 0.00 31.44 30.66 1ya4 n GLU 183 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1ya4 n HIS 184 N -2.00 0.00 0.00 -1.84 8.25 -1.26 -4.43 115.22 113.94 1ya4 n HIS 184 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1ya4 n HIS 184 Cb 0.10 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 30.81 1ya4 n HIS 184 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ya4 n SER 185 N -1.40 0.00 -0.11 0.41 2.88 -0.90 -4.88 113.62 109.61 1ya4 n SER 185 Ca 0.08 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.53 1ya4 n SER 185 Cb 0.24 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.69 1ya4 n SER 185 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1ya4 h ARG 186 N 0.00 0.50 0.00 -1.46 3.08 -1.69 0.21 114.38 115.02 1ya4 h ARG 186 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1ya4 h ARG 186 Cb 0.00 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1ya4 h ARG 186 CO 0.00 0.43 0.00 0.41 -1.07 0.00 0.00 179.97 179.74 1ya4 n GLY 187 N -0.93 -0.31 2.31 0.04 0.00 -1.25 -4.59 105.19 100.46 1ya4 n GLY 187 Ca -0.01 -2.22 -0.16 0.00 0.00 0.00 0.00 46.02 43.63 1ya4 n GLY 187 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ya4 n ASN 188 N 0.00 -4.46 -0.23 1.61 3.02 -1.26 -4.82 115.26 109.12 1ya4 n ASN 188 Ca 0.00 0.27 0.04 0.00 -0.03 0.00 0.00 54.58 54.86 1ya4 n ASN 188 Cb 0.00 -3.92 0.15 0.00 -0.61 0.00 0.00 39.78 35.39 1ya4 n ASN 188 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 1ya4 h TRP 189 N 0.00 0.16 -0.80 3.10 -0.00 -1.43 0.17 115.95 117.14 1ya4 h TRP 189 Ca -0.35 0.04 0.12 0.00 -0.00 0.00 0.00 58.89 58.70 1ya4 h TRP 189 Cb 1.15 0.03 -0.08 0.00 -0.00 0.00 0.00 29.16 30.26 1ya4 h TRP 189 CO 0.53 -0.10 0.42 0.78 -0.00 0.00 0.00 178.44 180.06 1ya4 h GLY 190 N 0.22 1.26 2.00 1.49 0.00 0.15 0.28 103.07 108.47 1ya4 h GLY 190 Ca 0.37 -0.25 -0.12 0.00 0.00 0.00 0.00 47.33 47.33 1ya4 h GLY 190 CO -0.50 0.03 -0.59 0.45 0.00 0.00 0.00 176.54 175.92 1ya4 h HIS 191 N 0.65 0.00 -0.30 5.60 3.86 -1.30 -1.81 115.15 121.86 1ya4 h HIS 191 Ca 0.42 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.45 1ya4 h HIS 191 Cb 0.50 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.97 1ya4 h HIS 191 CO -0.09 0.59 -0.49 -0.07 0.86 0.00 0.00 177.93 178.73 1ya4 h LEU 192 N 0.00 0.94 -1.01 2.43 3.38 0.65 -1.98 115.31 119.73 1ya4 h LEU 192 Ca -0.01 -0.52 0.13 0.00 0.09 0.00 0.00 57.88 57.57 1ya4 h LEU 192 Cb 1.08 -0.27 -0.09 0.00 0.09 0.00 0.00 40.66 41.48 1ya4 h LEU 192 CO 0.08 1.28 0.63 0.44 0.09 0.00 0.00 178.44 180.96 1ya4 h ASP 193 N 0.63 0.91 0.17 -0.43 3.32 -0.21 0.68 116.42 121.49 1ya4 h ASP 193 Ca 0.02 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1ya4 h ASP 193 Cb 1.10 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1ya4 h ASP 193 CO 0.11 0.46 -0.08 1.56 -1.72 0.00 0.00 179.24 179.57 1ya4 h GLN 194 N 0.97 -0.23 -0.95 3.56 4.20 -1.04 -2.40 115.11 119.22 1ya4 h GLN 194 Ca 0.51 0.02 0.10 0.00 0.06 0.00 0.00 58.65 59.34 1ya4 h GLN 194 Cb 0.54 0.05 -0.08 0.00 0.30 0.00 0.00 27.48 28.30 1ya4 h GLN 194 CO -0.28 -0.03 0.59 0.28 -0.67 0.00 0.00 178.83 178.72 1ya4 h VAL 195 N -0.39 0.95 -0.64 -0.54 2.07 -0.53 -1.69 116.25 115.48 1ya4 h VAL 195 Ca -0.02 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.19 1ya4 h VAL 195 Cb 0.30 -0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 29.93 1ya4 h VAL 195 CO 0.04 0.18 0.40 0.00 0.02 0.00 0.00 177.57 178.21 1ya4 h ALA 196 N 1.50 0.82 -0.50 1.67 0.00 -0.70 -1.45 119.26 120.59 1ya4 h ALA 196 Ca 0.46 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.35 1ya4 h ALA 196 Cb 0.40 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1ya4 h ALA 196 CO -0.24 0.18 0.33 0.00 0.00 0.00 0.00 179.25 179.52 1ya4 h ALA 197 N 1.26 0.64 -0.68 0.00 0.00 -0.81 -1.00 119.26 118.67 1ya4 h ALA 197 Ca 0.25 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ya4 h ALA 197 Cb -0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1ya4 h ALA 197 CO -0.08 0.07 0.41 -0.07 0.00 0.00 0.00 179.25 179.58 1ya4 h LEU 198 N 0.67 0.81 -0.87 0.00 3.38 -0.95 0.23 115.31 118.58 1ya4 h LEU 198 Ca 0.19 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 1ya4 h LEU 198 Cb -0.07 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1ya4 h LEU 198 CO -0.04 0.62 -0.07 0.03 0.09 0.00 0.00 178.44 179.07 1ya4 h ARG 199 N 0.93 0.76 -0.83 1.13 3.08 -0.65 -1.34 114.38 117.46 1ya4 h ARG 199 Ca 0.24 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 1ya4 h ARG 199 Cb -0.04 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 1ya4 h ARG 199 CO -0.05 0.82 0.38 2.35 -1.07 0.00 0.00 179.97 182.41 1ya4 h TRP 200 N 0.70 1.21 -0.66 3.04 7.01 0.25 -1.71 115.95 125.78 1ya4 h TRP 200 Ca 0.13 -0.07 -0.04 0.00 2.11 0.00 0.00 58.89 61.02 1ya4 h TRP 200 Cb 0.53 -0.37 -0.03 0.00 -2.10 0.00 0.00 29.16 27.19 1ya4 h TRP 200 CO 0.03 0.89 0.25 0.28 -2.79 0.00 0.00 178.44 177.09 1ya4 h VAL 201 N 1.19 1.24 -0.34 2.65 2.07 -0.51 -1.06 116.25 121.50 1ya4 h VAL 201 Ca 0.28 -0.78 0.02 0.00 0.82 0.00 0.00 66.70 67.04 1ya4 h VAL 201 Cb 0.14 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1ya4 h VAL 201 CO -0.03 0.31 0.18 1.56 0.02 0.00 0.00 177.57 179.61 1ya4 h GLN 202 N 0.94 0.37 -0.17 1.57 1.08 -0.75 -1.21 115.11 116.94 1ya4 h GLN 202 Ca 0.22 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 1ya4 h GLN 202 Cb 0.23 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1ya4 h GLN 202 CO -0.01 0.24 0.00 -0.25 -0.95 0.00 0.00 178.83 177.86 1ya4 n ASP 203 N -4.92 1.10 0.00 1.46 8.00 -0.69 -4.56 116.55 116.94 1ya4 n ASP 203 Ca 0.00 -1.82 0.00 0.00 0.71 0.00 0.00 54.79 53.68 1ya4 n ASP 203 Cb 0.07 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 1ya4 n ASP 203 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1ya4 n ASN 204 N 0.03 0.00 -0.11 -2.24 3.02 -0.43 -4.64 115.26 110.89 1ya4 n ASN 204 Ca 0.11 0.00 0.26 0.00 -0.03 0.00 0.00 54.58 54.92 1ya4 n ASN 204 Cb 0.20 0.00 0.63 0.00 -0.61 0.00 0.00 39.78 40.00 1ya4 n ASN 204 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1ya4 h ILE 205 N 0.00 0.20 -0.29 2.41 6.09 -1.38 0.13 117.51 124.68 1ya4 h ILE 205 Ca 0.00 0.00 0.02 0.00 -1.37 0.00 0.00 64.86 63.51 1ya4 h ILE 205 Cb 0.00 0.34 -0.01 0.00 0.47 0.00 0.00 36.82 37.61 1ya4 h ILE 205 CO 0.00 0.00 0.19 0.00 -3.07 0.00 0.00 178.15 175.27 1ya4 h ALA 206 N 1.07 1.91 0.00 0.18 0.00 -1.78 -0.52 119.26 120.11 1ya4 h ALA 206 Ca 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1ya4 h ALA 206 Cb 2.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1ya4 h ALA 206 CO -0.00 0.05 0.00 0.43 0.00 0.00 0.00 179.25 179.73 1ya4 n SER 207 N -4.49 0.00 -0.63 0.00 7.64 0.47 -2.17 113.62 114.44 1ya4 n SER 207 Ca 0.02 -0.32 0.05 0.00 1.01 0.00 0.00 58.87 59.62 1ya4 n SER 207 Cb 0.15 -0.15 0.20 0.00 -1.01 0.00 0.00 64.21 63.40 1ya4 n SER 207 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1ya4 n PHE 208 N -1.15 0.29 -2.87 1.43 3.01 -0.26 -4.71 117.46 113.21 1ya4 n PHE 208 Ca 0.13 -1.38 -0.16 0.00 1.01 0.00 0.00 57.45 57.05 1ya4 n PHE 208 Cb 0.12 -0.29 0.03 0.00 -0.01 0.00 0.00 39.48 39.33 1ya4 n PHE 208 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ya4 n GLY 209 N -1.15 -0.14 3.61 1.37 0.00 -0.92 -4.74 105.19 103.21 1ya4 n GLY 209 Ca 0.22 -0.13 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 1ya4 n GLY 209 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ya4 s GLY 210 N -2.87 1.72 -0.66 -0.02 0.00 -0.87 -1.70 107.32 102.92 1ya4 s GLY 210 Ca 0.25 -1.47 -0.15 0.00 0.00 0.00 0.00 44.72 43.34 1ya4 s GLY 210 CO 0.30 -1.50 0.61 0.21 0.00 0.00 0.00 173.10 172.72 1ya4 s ASN 211 N -3.02 6.41 0.36 1.64 2.47 0.10 -3.90 114.94 119.00 1ya4 s ASN 211 Ca 0.27 -2.19 0.15 0.00 0.42 0.00 0.00 52.86 51.51 1ya4 s ASN 211 Cb -0.08 -2.20 0.81 0.00 -1.45 0.00 0.00 41.25 38.33 1ya4 s ASN 211 CO 0.17 -0.73 1.37 1.55 -3.72 0.00 0.00 177.10 175.74 1ya4 h PRO 212 N 8.39 0.00 0.00 0.43 0.13 -1.88 1.08 132.00 140.15 1ya4 h PRO 212 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1ya4 h PRO 212 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1ya4 h PRO 212 CO 0.91 0.00 -0.37 0.41 -0.23 0.00 0.00 178.00 178.72 1ya4 n GLY 213 N -1.27 -1.39 2.57 1.56 0.00 -1.26 -4.32 105.19 101.07 1ya4 n GLY 213 Ca -0.01 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 1ya4 n GLY 213 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ya4 n SER 214 N -1.71 2.84 -4.77 1.61 2.88 0.37 -4.90 113.62 109.94 1ya4 n SER 214 Ca 0.05 -3.29 -0.39 0.00 -1.33 0.00 0.00 58.87 53.91 1ya4 n SER 214 Cb 0.37 -0.55 -0.06 0.00 -0.75 0.00 0.00 64.21 63.22 1ya4 n SER 214 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1ya4 s VAL 215 N -3.83 4.80 -0.08 2.46 1.01 -1.25 -2.17 120.40 121.34 1ya4 s VAL 215 Ca 0.42 1.37 0.04 0.00 0.00 0.00 0.00 61.98 63.80 1ya4 s VAL 215 Cb 0.36 -3.99 -0.00 0.00 0.00 0.00 0.00 36.38 32.76 1ya4 s VAL 215 CO -0.10 0.43 -0.22 -0.89 0.00 0.00 0.00 175.10 174.33 1ya4 s THR 216 N -0.37 1.88 -0.07 3.92 2.01 0.11 0.03 115.64 123.15 1ya4 s THR 216 Ca 0.33 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.40 1ya4 s THR 216 Cb -0.19 -1.63 -0.03 0.00 0.01 0.00 0.00 72.50 70.66 1ya4 s THR 216 CO 0.19 0.52 -0.05 0.27 -0.69 0.00 0.00 174.62 174.87 1ya4 s ILE 217 N 0.27 3.88 -0.13 1.82 -4.36 -0.37 -0.57 121.20 121.73 1ya4 s ILE 217 Ca -0.15 -0.43 -0.12 0.00 -0.26 0.00 0.00 60.65 59.70 1ya4 s ILE 217 Cb -0.16 -2.61 0.04 0.00 1.25 0.00 0.00 42.46 40.98 1ya4 s ILE 217 CO 0.07 0.59 0.35 0.72 0.24 0.00 0.00 174.94 176.91 1ya4 s PHE 218 N -0.84 -0.40 0.07 1.37 -0.71 -0.33 -0.89 117.98 116.25 1ya4 s PHE 218 Ca 0.13 0.96 -0.07 0.00 -1.04 0.00 0.00 56.93 56.91 1ya4 s PHE 218 Cb -0.11 0.14 -0.01 0.00 -1.21 0.00 0.00 43.02 41.83 1ya4 s PHE 218 CO 0.02 -0.20 0.14 0.20 -1.34 0.00 0.00 175.22 174.04 1ya4 s GLY 219 N 0.31 0.17 -0.05 1.99 0.00 -0.78 -1.76 107.32 107.20 1ya4 s GLY 219 Ca -0.01 -0.70 0.05 0.00 0.00 0.00 0.00 44.72 44.06 1ya4 s GLY 219 CO -0.01 -0.86 -0.18 1.85 0.00 0.00 0.00 173.10 173.90 1ya4 s GLU 220 N -3.63 2.50 7.81 2.90 -6.30 -1.22 -0.91 118.70 119.85 1ya4 s GLU 220 Ca 0.03 -0.78 0.00 0.00 -2.50 0.00 0.00 54.97 51.73 1ya4 s GLU 220 Cb 0.04 -2.29 0.00 0.00 0.00 0.00 0.00 34.13 31.88 1ya4 s GLU 220 CO -0.10 0.54 0.00 0.45 0.02 0.00 0.00 175.26 176.17 1ya4 n SER 221 N 2.54 0.00 -0.27 -1.70 2.88 0.64 -1.57 113.62 116.15 1ya4 n SER 221 Ca -0.17 0.00 0.32 0.00 -1.33 0.00 0.00 58.87 57.69 1ya4 n SER 221 Cb 0.52 0.00 0.73 0.00 -0.75 0.00 0.00 64.21 64.71 1ya4 n SER 221 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ya4 h ALA 222 N -0.99 2.98 -0.05 -1.46 0.00 -1.87 2.31 119.26 120.18 1ya4 h ALA 222 Ca 0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 1ya4 h ALA 222 Cb 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1ya4 h ALA 222 CO 0.00 -1.28 -0.65 0.78 0.00 0.00 0.00 179.25 178.09 1ya4 h GLY 223 N 0.02 0.22 0.99 0.00 0.00 -1.33 -0.86 103.07 102.11 1ya4 h GLY 223 Ca 0.51 -0.29 -0.12 0.00 0.00 0.00 0.00 47.33 47.43 1ya4 h GLY 223 CO -0.02 0.26 -0.27 -1.33 0.00 0.00 0.00 176.54 175.18 1ya4 h GLY 224 N 1.60 0.81 0.98 4.60 0.00 0.38 -1.65 103.07 109.78 1ya4 h GLY 224 Ca -0.01 -0.80 -0.00 0.00 0.00 0.00 0.00 47.33 46.51 1ya4 h GLY 224 CO 0.10 0.73 0.25 -2.09 0.00 0.00 0.00 176.54 175.53 1ya4 h GLU 225 N 0.50 0.60 -0.13 4.80 4.22 -0.53 -0.66 114.58 123.38 1ya4 h GLU 225 Ca 0.06 -0.06 0.03 0.00 0.08 0.00 0.00 59.36 59.47 1ya4 h GLU 225 Cb 0.84 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 1ya4 h GLU 225 CO 0.07 0.45 -0.06 0.77 -2.18 0.00 0.00 179.01 178.06 1ya4 h SER 226 N 0.57 -0.20 -0.66 1.04 0.02 -1.06 0.13 113.55 113.40 1ya4 h SER 226 Ca 0.16 0.05 0.11 0.00 -0.84 0.00 0.00 61.79 61.26 1ya4 h SER 226 Cb 0.02 0.11 -0.08 0.00 0.14 0.00 0.00 62.40 62.59 1ya4 h SER 226 CO -0.03 -0.08 0.25 0.58 -1.14 0.00 0.00 176.83 176.41 1ya4 h VAL 227 N -0.04 0.74 -0.14 2.27 2.07 -0.85 0.23 116.25 120.52 1ya4 h VAL 227 Ca 0.07 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1ya4 h VAL 227 Cb 0.15 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1ya4 h VAL 227 CO -0.16 0.08 0.06 -1.28 0.02 0.00 0.00 177.57 176.29 1ya4 h SER 228 N 0.43 0.17 -0.00 0.57 0.87 0.22 -2.44 113.55 113.35 1ya4 h SER 228 Ca 0.34 -0.01 -0.24 0.00 -1.23 0.00 0.00 61.79 60.66 1ya4 h SER 228 Cb 0.45 -0.04 0.02 0.00 -0.44 0.00 0.00 62.40 62.38 1ya4 h SER 228 CO -0.34 0.15 -0.92 0.58 -0.53 0.00 0.00 176.83 175.78 1ya4 h VAL 229 N 0.20 1.32 0.00 2.23 2.07 0.20 -3.10 116.25 119.16 1ya4 h VAL 229 Ca 0.05 -2.19 -0.04 0.00 0.82 0.00 0.00 66.70 65.34 1ya4 h VAL 229 Cb 0.03 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 1ya4 h VAL 229 CO -0.01 0.67 -0.20 -0.07 0.02 0.00 0.00 177.57 177.98 1ya4 h LEU 230 N 0.26 0.00 -1.20 2.57 3.38 -0.69 0.22 115.31 119.85 1ya4 h LEU 230 Ca -0.11 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 1ya4 h LEU 230 Cb 1.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.32 1ya4 h LEU 230 CO 0.18 0.20 -0.38 0.58 0.09 0.00 0.00 178.44 179.12 1ya4 h VAL 231 N 0.00 1.12 0.00 1.22 2.07 -1.37 -3.03 116.25 116.25 1ya4 h VAL 231 Ca -0.00 -1.35 -0.10 0.00 0.82 0.00 0.00 66.70 66.06 1ya4 h VAL 231 Cb 0.45 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 1ya4 h VAL 231 CO 0.03 0.37 -1.56 0.18 0.02 0.00 0.00 177.57 176.60 1ya4 n LEU 232 N -3.88 0.55 -4.77 2.57 4.77 -0.41 -4.57 117.00 111.25 1ya4 n LEU 232 Ca -0.01 0.23 -0.38 0.00 -0.03 0.00 0.00 56.01 55.81 1ya4 n LEU 232 Cb 0.44 0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.55 1ya4 n LEU 232 CO 0.38 0.06 0.75 -0.55 -1.33 0.00 0.00 177.39 176.70 1ya4 s SER 233 N -5.32 6.96 0.15 -1.43 0.15 0.65 -4.94 113.70 109.91 1ya4 s SER 233 Ca -0.04 2.12 -0.00 0.00 0.70 0.00 0.00 55.95 58.73 1ya4 s SER 233 Cb 0.10 -2.60 -0.06 0.00 -1.71 0.00 0.00 66.02 61.75 1ya4 s SER 233 CO 0.83 -0.35 1.33 -0.65 1.20 0.00 0.00 173.24 175.61 1ya4 h PRO 234 N 3.03 0.27 0.00 5.44 0.11 -1.85 -3.22 132.00 135.78 1ya4 h PRO 234 Ca -0.48 -0.30 -0.02 0.00 0.11 0.00 0.00 66.00 65.31 1ya4 h PRO 234 Cb 1.21 0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 1ya4 h PRO 234 CO 0.64 1.02 -0.12 -0.07 -0.21 0.00 0.00 178.00 179.26 1ya4 h LEU 235 N 0.14 0.00 0.00 2.35 3.38 -1.83 -2.31 115.31 117.04 1ya4 h LEU 235 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1ya4 h LEU 235 Cb 1.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.32 1ya4 h LEU 235 CO 0.15 0.12 -0.29 0.00 0.09 0.00 0.00 178.44 178.50 1ya4 n ALA 236 N -2.35 2.59 -1.68 1.53 0.00 -1.22 -4.93 120.51 114.46 1ya4 n ALA 236 Ca -0.02 -0.13 -0.62 0.00 0.00 0.00 0.00 53.44 52.66 1ya4 n ALA 236 Cb 0.21 -1.33 -0.09 0.00 0.00 0.00 0.00 19.45 18.25 1ya4 n ALA 236 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1ya4 n LYS 237 N -2.18 0.40 -1.08 0.00 4.81 -0.87 -1.41 118.16 117.83 1ya4 n LYS 237 Ca 0.05 0.15 -0.03 0.00 -0.87 0.00 0.00 58.31 57.60 1ya4 n LYS 237 Cb 0.43 -1.71 -0.01 0.00 0.02 0.00 0.00 35.03 33.77 1ya4 n LYS 237 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1ya4 n ASN 238 N 3.82 -3.58 -0.00 3.14 3.02 -1.26 -4.90 115.26 115.49 1ya4 n ASN 238 Ca 0.27 0.07 0.09 0.00 -0.03 0.00 0.00 54.58 54.97 1ya4 n ASN 238 Cb 0.03 -1.32 -0.11 0.00 -0.61 0.00 0.00 39.78 37.78 1ya4 n ASN 238 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ya4 n LEU 239 N -0.31 0.79 -3.96 3.41 4.77 -0.50 -4.98 117.00 116.22 1ya4 n LEU 239 Ca -0.03 -0.46 -0.10 0.00 -0.03 0.00 0.00 56.01 55.40 1ya4 n LEU 239 Cb 0.13 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.15 1ya4 n LEU 239 CO 0.04 0.20 0.00 0.72 -1.33 0.00 0.00 177.39 177.02 1ya4 s PHE 240 N -2.77 0.39 0.00 -1.77 -0.71 -1.26 -4.85 117.98 107.00 1ya4 s PHE 240 Ca 0.06 -0.74 0.00 0.00 -1.04 0.00 0.00 56.93 55.20 1ya4 s PHE 240 Cb 0.14 -0.03 0.00 0.00 -1.21 0.00 0.00 43.02 41.92 1ya4 s PHE 240 CO 0.75 -0.75 0.27 0.72 -1.34 0.00 0.00 175.22 174.88 1ya4 n HIS 241 N -0.23 0.00 -3.63 3.49 8.25 0.10 -4.94 115.22 118.25 1ya4 n HIS 241 Ca -0.07 -0.02 -0.13 0.00 -0.26 0.00 0.00 57.72 57.24 1ya4 n HIS 241 Cb 0.63 -0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.67 1ya4 n HIS 241 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1ya4 s ARG 242 N -0.04 0.81 0.09 -0.41 0.52 -1.19 -4.23 118.95 114.50 1ya4 s ARG 242 Ca 0.00 0.99 0.06 0.00 -0.52 0.00 0.00 55.73 56.26 1ya4 s ARG 242 Cb 0.00 0.39 -0.03 0.00 0.52 0.00 0.00 34.95 35.82 1ya4 s ARG 242 CO 0.00 -0.10 -0.16 0.00 0.02 0.00 0.00 175.30 175.06 1ya4 s ALA 243 N 0.44 1.40 -0.14 2.13 0.00 -0.51 -1.24 121.76 123.84 1ya4 s ALA 243 Ca -0.00 -1.13 -0.04 0.00 0.00 0.00 0.00 51.96 50.79 1ya4 s ALA 243 Cb -0.05 -0.13 0.06 0.00 0.00 0.00 0.00 23.12 23.01 1ya4 s ALA 243 CO -0.00 0.20 0.16 0.42 0.00 0.00 0.00 175.76 176.53 1ya4 s ILE 244 N -1.46 -0.23 -0.21 0.00 1.01 -0.07 -1.15 121.20 119.09 1ya4 s ILE 244 Ca 0.03 0.10 -0.06 0.00 0.00 0.00 0.00 60.65 60.71 1ya4 s ILE 244 Cb -0.09 -0.47 -0.03 0.00 0.01 0.00 0.00 42.46 41.89 1ya4 s ILE 244 CO 0.03 -0.06 0.04 -0.44 0.00 0.00 0.00 174.94 174.51 1ya4 s SER 245 N 2.26 5.16 -0.27 3.58 0.01 -0.56 -1.86 113.70 122.02 1ya4 s SER 245 Ca 0.04 -0.11 -0.03 0.00 1.31 0.00 0.00 55.95 57.16 1ya4 s SER 245 Cb -0.14 -1.89 0.03 0.00 0.21 0.00 0.00 66.02 64.23 1ya4 s SER 245 CO -0.08 0.07 -0.01 -1.61 0.41 0.00 0.00 173.24 172.02 1ya4 s GLU 246 N 0.96 2.77 -1.15 12.44 2.02 -0.09 -2.28 118.70 133.36 1ya4 s GLU 246 Ca 0.03 -1.04 -0.08 0.00 0.02 0.00 0.00 54.97 53.90 1ya4 s GLU 246 Cb -0.14 -3.13 -0.03 0.00 0.10 0.00 0.00 34.13 30.93 1ya4 s GLU 246 CO 0.02 -0.48 0.84 0.43 0.02 0.00 0.00 175.26 176.10 1ya4 n SER 247 N 4.70 -4.40 0.00 -0.19 7.64 -0.65 -0.26 113.62 120.46 1ya4 n SER 247 Ca -0.15 -0.80 0.00 0.00 1.01 0.00 0.00 58.87 58.93 1ya4 n SER 247 Cb 0.46 -4.46 0.00 0.00 -1.01 0.00 0.00 64.21 59.20 1ya4 n SER 247 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ya4 n GLY 248 N -1.42 3.20 2.16 0.23 0.00 -1.26 -2.92 105.19 105.18 1ya4 n GLY 248 Ca -0.16 0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 1ya4 n GLY 248 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ya4 n VAL 249 N 0.00 0.00 1.07 1.61 0.24 -1.26 -2.69 118.33 117.30 1ya4 n VAL 249 Ca 0.00 -1.53 0.09 0.00 -2.04 0.00 0.00 64.34 60.87 1ya4 n VAL 249 Cb 0.00 0.79 0.53 0.00 -1.47 0.00 0.00 33.84 33.69 1ya4 n VAL 249 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ya4 n ALA 250 N -1.47 2.12 0.17 2.33 0.00 -1.26 -2.47 120.51 119.94 1ya4 n ALA 250 Ca -0.08 -0.11 0.08 0.00 0.00 0.00 0.00 53.44 53.33 1ya4 n ALA 250 Cb 0.40 -1.31 0.15 0.00 0.00 0.00 0.00 19.45 18.70 1ya4 n ALA 250 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ya4 n LEU 251 N -1.12 2.91 -4.48 0.00 4.77 -1.26 -4.78 117.00 113.04 1ya4 n LEU 251 Ca 0.12 -1.54 -0.41 0.00 -0.03 0.00 0.00 56.01 54.14 1ya4 n LEU 251 Cb 0.10 -0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 41.00 1ya4 n LEU 251 CO 0.12 0.65 2.01 0.41 -1.33 0.00 0.00 177.39 179.25 1ya4 n THR 252 N 0.96 3.67 0.00 -5.08 -1.04 -1.03 -4.85 114.28 106.92 1ya4 n THR 252 Ca 0.14 -3.76 0.00 0.00 -2.04 0.00 0.00 64.05 58.39 1ya4 n THR 252 Cb 0.46 -2.36 0.00 0.00 -1.82 0.00 0.00 70.33 66.62 1ya4 n THR 252 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1ya4 n SER 253 N 8.74 0.00 -0.41 8.00 7.64 -1.26 -0.72 113.62 135.61 1ya4 n SER 253 Ca 0.49 0.04 0.31 0.00 1.01 0.00 0.00 58.87 60.72 1ya4 n SER 253 Cb 0.45 -0.02 0.48 0.00 -1.01 0.00 0.00 64.21 64.11 1ya4 n SER 253 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1ya4 n VAL 254 N -1.99 0.00 0.69 0.44 3.14 -1.26 0.77 118.33 120.12 1ya4 n VAL 254 Ca 0.00 0.88 0.11 0.00 -2.96 0.00 0.00 64.34 62.37 1ya4 n VAL 254 Cb 0.00 -1.47 0.06 0.00 -1.06 0.00 0.00 33.84 31.37 1ya4 n VAL 254 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1ya4 n LEU 255 N -3.10 0.64 -4.13 6.55 4.77 0.10 -4.83 117.00 117.01 1ya4 n LEU 255 Ca 0.26 -0.05 -0.33 0.00 -0.03 0.00 0.00 56.01 55.86 1ya4 n LEU 255 Cb 1.19 -0.12 -0.15 0.00 -2.33 0.00 0.00 43.42 42.00 1ya4 n LEU 255 CO 0.26 0.07 -0.49 -0.69 -1.33 0.00 0.00 177.39 175.21 1ya4 s VAL 256 N -3.14 2.25 -0.51 4.08 1.01 0.23 -1.45 120.40 122.87 1ya4 s VAL 256 Ca 0.06 -1.10 -0.25 0.00 0.00 0.00 0.00 61.98 60.68 1ya4 s VAL 256 Cb 0.15 -2.07 0.03 0.00 0.00 0.00 0.00 36.38 34.50 1ya4 s VAL 256 CO 0.78 0.35 0.95 -0.54 0.00 0.00 0.00 175.10 176.65 1ya4 s LYS 257 N 1.26 3.45 -0.15 2.72 -0.14 -0.35 -4.90 119.74 121.62 1ya4 s LYS 257 Ca 0.01 -0.01 -0.05 0.00 -1.36 0.00 0.00 55.97 54.56 1ya4 s LYS 257 Cb -0.15 -3.99 -0.04 0.00 -1.68 0.00 0.00 37.83 31.98 1ya4 s LYS 257 CO -0.10 -1.37 0.04 -1.59 -0.76 0.00 0.00 175.35 171.57 1ya4 s LYS 258 N 3.94 3.61 0.00 1.68 -2.85 -1.26 -4.35 119.74 120.51 1ya4 s LYS 258 Ca 0.35 -0.36 0.00 0.00 -1.00 0.00 0.00 55.97 54.96 1ya4 s LYS 258 Cb -0.11 -3.05 0.00 0.00 -2.06 0.00 0.00 37.83 32.61 1ya4 s LYS 258 CO 0.23 0.44 0.00 0.41 0.10 0.00 0.00 175.35 176.53 1ya4 n GLY 259 N 2.99 0.91 3.62 0.59 0.00 -1.26 -4.97 105.19 107.07 1ya4 n GLY 259 Ca -0.18 -2.27 -0.43 0.00 0.00 0.00 0.00 46.02 43.15 1ya4 n GLY 259 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ya4 s ASP 260 N 0.00 5.89 0.07 1.61 2.15 -1.26 -4.84 116.67 120.30 1ya4 s ASP 260 Ca 0.00 1.97 0.24 0.00 0.43 0.00 0.00 52.55 55.19 1ya4 s ASP 260 Cb 0.00 -2.52 0.31 0.00 -0.30 0.00 0.00 42.92 40.41 1ya4 s ASP 260 CO 0.00 -1.60 1.27 1.33 -0.17 0.00 0.00 175.17 176.00 1ya4 n VAL 261 N 6.96 0.23 -0.27 1.11 0.24 -1.26 -4.35 118.33 120.99 1ya4 n VAL 261 Ca 0.25 -0.20 0.04 0.00 -2.04 0.00 0.00 64.34 62.38 1ya4 n VAL 261 Cb 0.44 0.04 0.12 0.00 -1.47 0.00 0.00 33.84 32.98 1ya4 n VAL 261 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1ya4 h LYS 262 N 0.00 0.03 -0.30 7.34 1.63 -1.85 -1.60 116.57 121.82 1ya4 h LYS 262 Ca 0.00 -0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.86 1ya4 h LYS 262 Cb 0.68 -0.01 -0.08 0.00 -0.60 0.00 0.00 32.23 32.23 1ya4 h LYS 262 CO 0.00 0.02 -0.36 -1.35 -3.45 0.00 0.00 179.45 174.31 1ya4 h PRO 263 N 0.03 -0.32 -0.57 1.90 0.11 -1.94 -0.05 132.00 131.16 1ya4 h PRO 263 Ca 0.40 0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.58 1ya4 h PRO 263 Cb 0.65 0.07 -0.05 0.00 0.11 0.00 0.00 31.00 31.78 1ya4 h PRO 263 CO -0.76 -0.21 0.29 1.25 -0.21 0.00 0.00 178.00 178.35 1ya4 h LEU 264 N -0.33 0.41 -0.05 2.35 6.46 -1.61 -0.94 115.31 121.58 1ya4 h LEU 264 Ca 0.14 0.04 0.04 0.00 -0.12 0.00 0.00 57.88 57.97 1ya4 h LEU 264 Cb 0.56 -0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 40.39 1ya4 h LEU 264 CO -0.48 0.27 -0.39 0.00 -0.62 0.00 0.00 178.44 177.22 1ya4 h ALA 265 N 1.31 -0.57 -0.99 1.25 0.00 -0.64 -1.14 119.26 118.48 1ya4 h ALA 265 Ca 0.26 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.27 1ya4 h ALA 265 Cb 0.18 0.71 -0.08 0.00 0.00 0.00 0.00 17.79 18.59 1ya4 h ALA 265 CO -0.18 -0.90 0.62 0.93 0.00 0.00 0.00 179.25 179.72 1ya4 h GLU 266 N -0.51 0.92 0.31 0.00 5.08 -0.39 0.36 114.58 120.36 1ya4 h GLU 266 Ca 0.06 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1ya4 h GLU 266 Cb 0.62 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1ya4 h GLU 266 CO -0.34 0.61 -0.15 1.96 -1.00 0.00 0.00 179.01 180.10 1ya4 h GLN 267 N 0.95 -0.40 -0.64 2.33 4.20 -0.21 0.20 115.11 121.54 1ya4 h GLN 267 Ca 0.49 0.03 0.09 0.00 0.06 0.00 0.00 58.65 59.32 1ya4 h GLN 267 Cb 0.53 0.09 -0.07 0.00 0.30 0.00 0.00 27.48 28.33 1ya4 h GLN 267 CO -0.26 -0.23 0.27 0.82 -0.67 0.00 0.00 178.83 178.75 1ya4 h ILE 268 N -0.46 0.80 -0.03 2.54 2.04 -0.44 0.11 117.51 122.07 1ya4 h ILE 268 Ca -0.04 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1ya4 h ILE 268 Cb 0.35 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1ya4 h ILE 268 CO 0.07 0.09 0.02 0.00 0.00 0.00 0.00 178.15 178.33 1ya4 h ALA 269 N 1.42 0.04 -0.72 1.87 0.00 -0.74 -1.59 119.26 119.53 1ya4 h ALA 269 Ca 0.32 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.27 1ya4 h ALA 269 Cb 0.37 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1ya4 h ALA 269 CO -0.29 -0.45 0.43 0.82 0.00 0.00 0.00 179.25 179.76 1ya4 h ILE 270 N 0.03 1.03 -0.46 0.00 2.04 0.03 -0.78 117.51 119.40 1ya4 h ILE 270 Ca 0.01 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1ya4 h ILE 270 Cb 0.01 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.21 1ya4 h ILE 270 CO -0.00 0.15 0.19 0.74 0.00 0.00 0.00 178.15 179.22 1ya4 h THR 271 N 0.81 1.17 -0.01 -0.27 2.02 -0.54 -1.45 112.91 114.64 1ya4 h THR 271 Ca 0.31 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1ya4 h THR 271 Cb 0.12 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1ya4 h THR 271 CO -0.15 0.21 0.00 0.00 0.37 0.00 0.00 175.52 175.94 1ya4 n ALA 272 N -2.47 2.65 -1.92 6.16 0.00 -0.62 -4.91 120.51 119.40 1ya4 n ALA 272 Ca 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1ya4 n ALA 272 Cb 0.15 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1ya4 n ALA 272 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ya4 n GLY 273 N 1.05 0.85 3.49 0.00 0.00 -0.55 -5.06 105.19 104.96 1ya4 n GLY 273 Ca 0.22 -0.51 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 1ya4 n GLY 273 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ya4 s LYS 275 N -2.75 3.85 -0.10 0.00 1.02 -1.26 -4.25 119.74 116.25 1ya4 s LYS 275 Ca 0.23 1.20 0.14 0.00 0.02 0.00 0.00 55.97 57.56 1ya4 s LYS 275 Cb -0.08 -2.11 0.26 0.00 -0.52 0.00 0.00 37.83 35.38 1ya4 s LYS 275 CO 0.12 -0.37 1.16 0.25 -0.92 0.00 0.00 175.35 175.60 1ya4 n THR 276 N -1.17 1.70 -0.31 2.17 -2.24 -1.26 -4.30 114.28 108.87 1ya4 n THR 276 Ca 0.08 -1.86 0.22 0.00 -2.27 0.00 0.00 64.05 60.23 1ya4 n THR 276 Cb 0.53 -0.04 0.42 0.00 -2.10 0.00 0.00 70.33 69.15 1ya4 n THR 276 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1ya4 n THR 277 N -0.99 -0.39 -3.90 4.28 -1.04 -1.26 -4.66 114.28 106.32 1ya4 n THR 277 Ca 0.13 1.97 -0.08 0.00 -2.04 0.00 0.00 64.05 64.03 1ya4 n THR 277 Cb 0.58 -3.04 -0.03 0.00 -1.82 0.00 0.00 70.33 66.01 1ya4 n THR 277 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1ya4 s THR 278 N -5.65 0.00 0.07 12.58 -4.23 -1.26 -5.02 115.64 112.14 1ya4 s THR 278 Ca -0.10 -1.12 -0.33 0.00 -1.18 0.00 0.00 61.69 58.95 1ya4 s THR 278 Cb 0.30 -2.03 -0.19 0.00 1.34 0.00 0.00 72.50 71.92 1ya4 s THR 278 CO 0.73 -0.01 1.63 0.28 -0.54 0.00 0.00 174.62 176.70 1ya4 h SER 279 N 2.11 -0.78 -0.94 3.99 0.02 -1.96 -1.99 113.55 114.00 1ya4 h SER 279 Ca -0.23 0.03 0.18 0.00 -0.84 0.00 0.00 61.79 60.93 1ya4 h SER 279 Cb 1.25 0.20 -0.08 0.00 0.14 0.00 0.00 62.40 63.91 1ya4 h SER 279 CO 0.29 -0.56 0.60 0.00 -1.14 0.00 0.00 176.83 176.03 1ya4 h ALA 280 N -0.59 1.91 -0.57 3.77 0.00 -1.97 0.64 119.26 122.44 1ya4 h ALA 280 Ca -0.09 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1ya4 h ALA 280 Cb 0.71 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1ya4 h ALA 280 CO 0.15 -0.21 0.17 0.28 0.00 0.00 0.00 179.25 179.64 1ya4 h VAL 281 N 0.62 1.24 -0.31 0.00 2.07 -1.87 -1.99 116.25 116.02 1ya4 h VAL 281 Ca 0.50 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 1ya4 h VAL 281 Cb 0.95 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1ya4 h VAL 281 CO -0.26 0.31 0.09 0.24 0.02 0.00 0.00 177.57 177.98 1ya4 h MET 282 N 0.81 0.48 -0.29 1.57 0.00 -0.17 -0.19 114.93 117.15 1ya4 h MET 282 Ca 0.18 -0.10 -0.00 0.00 0.00 0.00 0.00 59.70 59.78 1ya4 h MET 282 Cb 0.30 -0.07 -0.01 0.00 0.00 0.00 0.00 31.60 31.82 1ya4 h MET 282 CO -0.00 0.53 0.17 0.28 0.00 0.00 0.00 176.91 177.88 1ya4 h VAL 283 N 0.34 1.11 -0.03 -2.22 2.07 -1.17 -0.96 116.25 115.39 1ya4 h VAL 283 Ca 0.10 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.36 1ya4 h VAL 283 Cb 0.25 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1ya4 h VAL 283 CO -0.00 0.11 -0.01 -0.74 0.02 0.00 0.00 177.57 176.95 1ya4 h HIS 284 N 0.36 -0.02 -0.88 1.57 -0.00 -1.30 -1.01 115.15 113.87 1ya4 h HIS 284 Ca 0.10 0.00 0.09 0.00 -0.00 0.00 0.00 60.37 60.57 1ya4 h HIS 284 Cb 0.03 0.01 -0.06 0.00 -0.00 0.00 0.00 27.41 27.38 1ya4 h HIS 284 CO -0.04 -0.01 0.57 0.00 -0.00 0.00 0.00 177.93 178.45 1ya4 h LEU 286 N 0.89 0.53 -1.96 0.00 3.38 -0.69 -3.03 115.31 114.42 1ya4 h LEU 286 Ca 0.40 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1ya4 h LEU 286 Cb 0.38 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1ya4 h LEU 286 CO -0.17 1.08 -0.02 0.03 0.09 0.00 0.00 178.44 179.46 1ya4 h ARG 287 N 0.31 0.00 0.00 1.13 3.08 -0.47 -1.27 114.38 117.16 1ya4 h ARG 287 Ca -0.03 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 1ya4 h ARG 287 Cb 1.30 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.33 1ya4 h ARG 287 CO 0.13 0.02 -0.50 1.96 -1.07 0.00 0.00 179.97 180.50 1ya4 h GLN 288 N 0.00 0.00 -7.07 0.04 1.08 -1.37 -3.45 115.11 104.34 1ya4 h GLN 288 Ca -0.00 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.66 1ya4 h GLN 288 Cb 0.03 0.00 0.13 0.00 -0.05 0.00 0.00 27.48 27.59 1ya4 h GLN 288 CO 0.00 0.50 0.54 0.15 -0.95 0.00 0.00 178.83 179.08 1ya4 s LYS 289 N -3.46 3.05 0.67 1.46 -0.14 -0.48 -5.01 119.74 115.84 1ya4 s LYS 289 Ca 0.00 2.05 -0.07 0.00 -1.36 0.00 0.00 55.97 56.59 1ya4 s LYS 289 Cb 0.11 -2.12 0.04 0.00 -1.68 0.00 0.00 37.83 34.18 1ya4 s LYS 289 CO 0.72 -1.20 1.00 0.95 -0.76 0.00 0.00 175.35 176.06 1ya4 s THR 290 N -1.41 2.87 0.15 2.17 -4.23 -1.26 -4.89 115.64 109.03 1ya4 s THR 290 Ca 0.74 -0.07 -0.17 0.00 -1.18 0.00 0.00 61.69 61.01 1ya4 s THR 290 Cb -0.36 -3.21 -0.01 0.00 1.34 0.00 0.00 72.50 70.26 1ya4 s THR 290 CO 0.41 -0.23 1.78 -0.08 -0.54 0.00 0.00 174.62 175.96 1ya4 h GLU 291 N -0.50 0.35 -0.83 3.99 4.81 -1.98 -0.94 114.58 119.48 1ya4 h GLU 291 Ca -0.45 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 58.79 1ya4 h GLU 291 Cb 1.29 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.54 1ya4 h GLU 291 CO 0.61 0.23 0.53 0.93 -0.73 0.00 0.00 179.01 180.58 1ya4 h GLU 292 N 0.36 1.01 -0.67 1.92 3.07 -1.98 0.59 114.58 118.87 1ya4 h GLU 292 Ca 0.13 -0.06 0.01 0.00 -0.50 0.00 0.00 59.36 58.94 1ya4 h GLU 292 Cb 0.03 -0.23 -0.03 0.00 -0.84 0.00 0.00 28.75 27.68 1ya4 h GLU 292 CO -0.08 0.67 0.45 0.93 -1.40 0.00 0.00 179.01 179.57 1ya4 h GLU 293 N 1.04 0.89 -0.11 2.33 5.08 -1.76 0.30 114.58 122.34 1ya4 h GLU 293 Ca 0.33 -0.05 -0.19 0.00 -1.00 0.00 0.00 59.36 58.45 1ya4 h GLU 293 Cb -0.00 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.04 1ya4 h GLU 293 CO -0.11 0.59 -0.70 -0.07 -1.00 0.00 0.00 179.01 177.72 1ya4 h LEU 294 N 0.92 0.60 -1.08 1.33 3.38 -0.25 -1.76 115.31 118.46 1ya4 h LEU 294 Ca 0.25 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 1ya4 h LEU 294 Cb -0.10 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1ya4 h LEU 294 CO -0.05 1.13 0.05 0.25 0.09 0.00 0.00 178.44 179.90 1ya4 h LEU 295 N 0.36 0.67 -0.71 1.67 5.85 0.63 0.04 115.31 123.82 1ya4 h LEU 295 Ca -0.03 -0.13 -0.11 0.00 0.84 0.00 0.00 57.88 58.45 1ya4 h LEU 295 Cb 1.28 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1ya4 h LEU 295 CO 0.13 0.70 -0.23 -0.08 -0.34 0.00 0.00 178.44 178.62 1ya4 h GLU 296 N 0.68 0.74 -0.26 1.25 4.81 -0.24 -2.19 114.58 119.37 1ya4 h GLU 296 Ca 0.14 -0.30 -0.12 0.00 -0.13 0.00 0.00 59.36 58.95 1ya4 h GLU 296 Cb 0.34 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 1ya4 h GLU 296 CO 0.01 0.90 -0.32 1.15 -0.73 0.00 0.00 179.01 180.02 1ya4 h THR 297 N 0.65 1.31 -0.97 0.32 2.02 -0.71 -2.08 112.91 113.45 1ya4 h THR 297 Ca 0.09 -1.50 0.17 0.00 0.77 0.00 0.00 66.41 65.93 1ya4 h THR 297 Cb 0.73 1.66 -0.10 0.00 -1.74 0.00 0.00 68.15 68.70 1ya4 h THR 297 CO 0.06 0.48 0.57 0.74 0.37 0.00 0.00 175.52 177.74 1ya4 h THR 298 N 0.41 0.74 -0.09 3.16 2.02 -0.77 0.13 112.91 118.51 1ya4 h THR 298 Ca 0.03 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 66.92 1ya4 h THR 298 Cb 0.90 -0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1ya4 h THR 298 CO 0.08 0.14 -0.07 -0.07 0.37 0.00 0.00 175.52 175.97 1ya4 h LEU 299 N 0.77 0.22 -0.88 2.58 3.38 -1.24 -3.17 115.31 116.96 1ya4 h LEU 299 Ca 0.54 -0.46 0.08 0.00 0.09 0.00 0.00 57.88 58.13 1ya4 h LEU 299 Cb 0.77 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.40 1ya4 h LEU 299 CO -0.36 0.63 0.54 0.11 0.09 0.00 0.00 178.44 179.45 1ya4 h LYS 300 N -0.20 0.91 0.00 1.13 1.57 -0.44 -1.55 116.57 118.00 1ya4 h LYS 300 Ca 0.02 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1ya4 h LYS 300 Cb 0.56 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1ya4 h LYS 300 CO 0.02 0.60 0.00 -1.33 -0.57 0.00 0.00 179.45 178.17 1ya4 n MET 301 N -4.64 0.04 -3.64 3.15 2.81 0.32 -4.87 117.12 110.28 1ya4 n MET 301 Ca 0.14 0.08 -0.23 0.00 -1.81 0.00 0.00 57.70 55.88 1ya4 n MET 301 Cb 0.22 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.24 1ya4 n MET 301 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1ya4 n LYS 302 N -1.09 -1.10 -2.49 0.03 5.02 -0.58 -4.95 118.16 113.00 1ya4 n LYS 302 Ca 0.01 0.49 -0.25 0.00 -2.02 0.00 0.00 58.31 56.54 1ya4 n LYS 302 Cb 0.01 -1.78 0.13 0.00 -0.02 0.00 0.00 35.03 33.36 1ya4 n LYS 302 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1ya4 s PHE 303 N -2.97 1.44 0.00 2.13 2.99 -1.26 -4.32 117.98 115.98 1ya4 s PHE 303 Ca 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 56.93 56.77 1ya4 s PHE 303 Cb -0.04 -3.19 0.00 0.00 0.00 0.00 0.00 43.02 39.79 1ya4 s PHE 303 CO 0.74 -1.94 0.00 1.28 -0.00 0.00 0.00 175.22 175.29 1ya4 n LEU 304 N -3.03 0.62 -4.21 -0.37 4.77 -0.45 -4.90 117.00 109.43 1ya4 n LEU 304 Ca 0.16 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.89 1ya4 n LEU 304 Cb 0.60 -1.72 -0.14 0.00 -2.33 0.00 0.00 43.42 39.83 1ya4 n LEU 304 CO 0.42 -0.61 -0.51 -0.44 -1.33 0.00 0.00 177.39 174.92 1ya4 s SER 305 N -1.23 2.24 -0.30 -1.43 0.01 -1.26 -4.27 113.70 107.46 1ya4 s SER 305 Ca 0.00 -0.44 -0.29 0.00 1.31 0.00 0.00 55.95 56.53 1ya4 s SER 305 Cb 0.00 -0.20 0.01 0.00 0.21 0.00 0.00 66.02 66.04 1ya4 s SER 305 CO 0.00 0.17 1.13 -0.22 0.41 0.00 0.00 173.24 174.73 1ya4 s LEU 306 N -0.89 3.95 -0.45 2.44 2.96 -0.94 -4.90 118.68 120.84 1ya4 s LEU 306 Ca 0.06 1.14 -0.28 0.00 -0.22 0.00 0.00 54.13 54.84 1ya4 s LEU 306 Cb -0.08 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.10 1ya4 s LEU 306 CO 0.01 -0.91 1.08 -0.62 -1.32 0.00 0.00 176.35 174.59 1ya4 s ASP 307 N 1.89 6.64 0.08 3.68 3.68 -1.26 -4.89 116.67 126.49 1ya4 s ASP 307 Ca 0.48 0.46 0.24 0.00 2.13 0.00 0.00 52.55 55.85 1ya4 s ASP 307 Cb -0.14 -2.52 0.19 0.00 -1.45 0.00 0.00 42.92 39.00 1ya4 s ASP 307 CO 0.17 -1.16 1.17 0.18 0.13 0.00 0.00 175.17 175.66 1ya4 n LEU 308 N 7.56 0.65 -3.87 -1.34 4.77 -1.26 -4.72 117.00 118.78 1ya4 n LEU 308 Ca 0.11 0.09 -0.30 0.00 -0.03 0.00 0.00 56.01 55.87 1ya4 n LEU 308 Cb 0.49 -0.14 -0.15 0.00 -2.33 0.00 0.00 43.42 41.29 1ya4 n LEU 308 CO 0.68 0.00 -0.33 0.00 -1.33 0.00 0.00 177.39 176.41 1ya4 s GLN 309 N -3.18 1.08 0.00 3.23 -2.07 -1.26 -5.05 119.66 112.42 1ya4 s GLN 309 Ca 0.05 -1.44 0.00 0.00 -1.82 0.00 0.00 55.36 52.15 1ya4 s GLN 309 Cb 0.14 -2.56 0.00 0.00 -1.09 0.00 0.00 33.01 29.50 1ya4 s GLN 309 CO 0.76 -0.96 0.00 0.41 -1.32 0.00 0.00 175.29 174.19 1ya4 n GLY 310 N 4.57 2.32 3.66 2.60 0.00 -1.26 -5.07 105.19 112.00 1ya4 n GLY 310 Ca 0.01 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 1ya4 n GLY 310 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ya4 s ASP 311 N 0.00 6.66 0.64 1.61 -1.08 -1.26 -4.85 116.67 118.38 1ya4 s ASP 311 Ca 0.00 2.23 0.42 0.00 -0.52 0.00 0.00 52.55 54.68 1ya4 s ASP 311 Cb 0.00 -2.53 2.29 0.00 -1.46 0.00 0.00 42.92 41.22 1ya4 s ASP 311 CO 0.00 -0.94 2.29 -0.65 0.52 0.00 0.00 175.17 176.39 1ya4 h PRO 312 N 9.59 0.00 -0.00 4.34 0.11 -1.90 -0.53 132.00 143.61 1ya4 h PRO 312 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1ya4 h PRO 312 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ya4 h PRO 312 CO 0.95 0.00 -0.12 0.54 -0.21 0.00 0.00 178.00 179.16 1ya4 n ARG 313 N -3.00 0.41 -0.04 1.05 1.74 -1.26 -3.70 116.66 111.86 1ya4 n ARG 313 Ca -0.03 -0.12 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 1ya4 n ARG 313 Cb 0.09 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 29.92 1ya4 n ARG 313 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1ya4 n GLU 314 N -1.20 1.18 -1.68 5.56 1.02 -0.22 -4.97 120.64 120.34 1ya4 n GLU 314 Ca 0.12 -0.06 -0.42 0.00 -0.02 0.00 0.00 57.16 56.77 1ya4 n GLU 314 Cb 0.29 -1.33 -0.03 0.00 -0.02 0.00 0.00 31.44 30.35 1ya4 n GLU 314 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ya4 n SER 315 N -2.24 4.11 -4.21 1.62 2.88 -1.13 -4.95 113.62 109.70 1ya4 n SER 315 Ca -0.12 0.95 -0.39 0.00 -1.33 0.00 0.00 58.87 57.98 1ya4 n SER 315 Cb 0.65 -1.54 -0.10 0.00 -0.75 0.00 0.00 64.21 62.47 1ya4 n SER 315 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1ya4 s GLN 316 N 3.57 2.41 0.54 -1.46 2.00 -1.26 -4.74 119.66 120.72 1ya4 s GLN 316 Ca 0.85 -1.59 0.31 0.00 -2.00 0.00 0.00 55.36 52.93 1ya4 s GLN 316 Cb -0.46 -3.71 1.52 0.00 0.80 0.00 0.00 33.01 31.17 1ya4 s GLN 316 CO 0.40 -1.00 2.08 -1.00 -0.50 0.00 0.00 175.29 175.26 1ya4 h PRO 317 N 8.29 0.00 -1.75 1.67 0.13 -1.91 -3.45 132.00 134.98 1ya4 h PRO 317 Ca -0.20 0.00 0.31 0.00 -0.87 0.00 0.00 66.00 65.24 1ya4 h PRO 317 Cb 1.07 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.10 1ya4 h PRO 317 CO 0.74 0.09 0.81 -0.48 -0.23 0.00 0.00 178.00 178.94 1ya4 s LEU 318 N -6.88 -0.04 -0.25 1.56 0.05 -1.26 -1.34 118.68 110.52 1ya4 s LEU 318 Ca -0.02 -0.21 -0.08 0.00 0.05 0.00 0.00 54.13 53.87 1ya4 s LEU 318 Cb 0.12 1.46 -0.04 0.00 -2.05 0.00 0.00 46.19 45.68 1ya4 s LEU 318 CO 0.56 -0.38 0.10 -0.76 -0.55 0.00 0.00 176.35 175.32 1ya4 s LEU 319 N -3.23 3.68 0.00 1.48 1.43 -1.26 -5.07 118.68 115.71 1ya4 s LEU 319 Ca 0.19 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1ya4 s LEU 319 Cb 0.03 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.26 1ya4 s LEU 319 CO -0.02 0.00 0.00 0.61 0.23 0.00 0.00 176.35 177.17 1ya4 n GLY 320 N 4.70 6.40 3.67 -3.19 0.00 -1.26 -4.81 105.19 110.70 1ya4 n GLY 320 Ca -0.16 -1.80 -0.34 0.00 0.00 0.00 0.00 46.02 43.73 1ya4 n GLY 320 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ya4 n THR 321 N 0.00 2.15 -4.10 2.61 -1.04 -0.53 -4.73 114.28 108.63 1ya4 n THR 321 Ca 0.00 -0.24 -0.11 0.00 -2.04 0.00 0.00 64.05 61.66 1ya4 n THR 321 Cb 0.00 -1.17 -0.08 0.00 -1.82 0.00 0.00 70.33 67.27 1ya4 n THR 321 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1ya4 s VAL 322 N -2.07 0.00 -1.03 12.58 -7.23 -1.26 -1.21 120.40 120.18 1ya4 s VAL 322 Ca 0.73 -1.71 -0.16 0.00 -1.81 0.00 0.00 61.98 59.03 1ya4 s VAL 322 Cb -0.30 -2.36 0.15 0.00 0.56 0.00 0.00 36.38 34.43 1ya4 s VAL 322 CO 0.51 0.00 1.22 -0.63 -0.31 0.00 0.00 175.10 175.89 1ya4 s ILE 323 N -4.06 4.92 0.15 -0.62 -1.09 -1.26 -4.69 121.20 114.55 1ya4 s ILE 323 Ca 0.31 -2.06 0.01 0.00 -2.23 0.00 0.00 60.65 56.68 1ya4 s ILE 323 Cb 0.03 -4.80 -0.16 0.00 -1.58 0.00 0.00 42.46 35.94 1ya4 s ILE 323 CO 0.11 -1.51 1.35 -2.24 -1.23 0.00 0.00 174.94 171.42 1ya4 h ASP 324 N 8.11 0.31 0.00 3.58 -0.00 -1.84 -3.48 116.42 123.10 1ya4 h ASP 324 Ca 0.21 -0.25 0.00 0.00 -0.00 0.00 0.00 57.03 56.99 1ya4 h ASP 324 Cb 0.97 -0.10 0.00 0.00 -0.00 0.00 0.00 39.33 40.20 1ya4 h ASP 324 CO 1.13 1.06 0.00 0.61 -0.00 0.00 0.00 179.24 182.05 1ya4 n GLY 325 N 0.92 0.57 0.72 7.15 0.00 -0.80 -4.91 105.19 108.84 1ya4 n GLY 325 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 1ya4 n GLY 325 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ya4 n MET 326 N -1.28 0.06 -0.04 1.61 2.81 -1.26 -4.72 117.12 114.30 1ya4 n MET 326 Ca 0.00 0.02 -0.14 0.00 -1.81 0.00 0.00 57.70 55.77 1ya4 n MET 326 Cb 0.00 -0.38 -0.09 0.00 -0.71 0.00 0.00 33.22 32.04 1ya4 n MET 326 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1ya4 h LEU 327 N -0.11 0.27 -7.81 4.03 5.85 -1.95 -3.42 115.31 112.17 1ya4 h LEU 327 Ca 0.00 -0.60 -0.65 0.00 0.84 0.00 0.00 57.88 57.47 1ya4 h LEU 327 Cb 0.11 -0.08 -0.37 0.00 0.37 0.00 0.00 40.66 40.69 1ya4 h LEU 327 CO 0.00 0.83 -0.80 -0.76 -0.34 0.00 0.00 178.44 177.37 1ya4 s LEU 328 N -8.87 3.05 0.55 2.25 1.43 -1.26 -4.07 118.68 111.76 1ya4 s LEU 328 Ca -0.15 -1.26 0.33 0.00 -1.03 0.00 0.00 54.13 52.03 1ya4 s LEU 328 Cb 0.03 -1.42 1.35 0.00 0.03 0.00 0.00 46.19 46.17 1ya4 s LEU 328 CO 0.74 -0.19 1.98 -0.07 0.23 0.00 0.00 176.35 179.04 1ya4 h LEU 329 N 7.84 0.00 -7.80 1.79 3.38 -1.84 -2.12 115.31 116.55 1ya4 h LEU 329 Ca -0.21 0.00 0.15 0.00 0.09 0.00 0.00 57.88 57.91 1ya4 h LEU 329 Cb 1.06 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.75 1ya4 h LEU 329 CO 0.46 0.01 0.48 -1.59 0.09 0.00 0.00 178.44 177.89 1ya4 s LYS 330 N -3.66 1.36 0.41 1.13 -2.85 -1.26 -4.79 119.74 110.08 1ya4 s LYS 330 Ca 0.01 -0.81 -0.25 0.00 -1.00 0.00 0.00 55.97 53.92 1ya4 s LYS 330 Cb 0.09 0.43 -0.11 0.00 -2.06 0.00 0.00 37.83 36.18 1ya4 s LYS 330 CO 0.55 -0.63 1.06 0.25 0.10 0.00 0.00 175.35 176.68 1ya4 n THR 331 N -0.55 2.41 -0.27 3.79 -2.24 -1.26 -4.69 114.28 111.47 1ya4 n THR 331 Ca -0.05 -0.50 0.13 0.00 -2.27 0.00 0.00 64.05 61.36 1ya4 n THR 331 Cb 0.60 -1.23 0.39 0.00 -2.10 0.00 0.00 70.33 68.00 1ya4 n THR 331 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1ya4 h PRO 332 N 1.70 0.64 0.62 -0.78 0.11 -1.99 -0.86 132.00 131.44 1ya4 h PRO 332 Ca -0.45 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1ya4 h PRO 332 Cb 1.33 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ya4 h PRO 332 CO 0.58 0.42 -0.37 0.93 -0.21 0.00 0.00 178.00 179.35 1ya4 h GLU 333 N 0.66 -0.91 0.14 1.05 3.07 -1.89 -1.63 114.58 115.08 1ya4 h GLU 333 Ca 0.46 0.06 0.02 0.00 -0.50 0.00 0.00 59.36 59.39 1ya4 h GLU 333 Cb 0.78 0.21 -0.03 0.00 -0.84 0.00 0.00 28.75 28.86 1ya4 h GLU 333 CO -0.21 -0.60 -0.30 0.93 -1.40 0.00 0.00 179.01 177.43 1ya4 h GLU 334 N -0.94 -0.51 -0.64 2.33 5.08 -1.71 -3.03 114.58 115.16 1ya4 h GLU 334 Ca -0.08 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.43 1ya4 h GLU 334 Cb 0.76 0.12 -0.12 0.00 0.50 0.00 0.00 28.75 30.00 1ya4 h GLU 334 CO 0.08 -0.34 -0.34 -0.07 -1.00 0.00 0.00 179.01 177.35 1ya4 h LEU 335 N -0.53 -1.18 -0.95 1.33 3.38 -1.08 0.16 115.31 116.45 1ya4 h LEU 335 Ca 0.02 0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1ya4 h LEU 335 Cb 0.55 0.59 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1ya4 h LEU 335 CO -0.16 -0.30 0.00 0.00 0.09 0.00 0.00 178.44 178.07 1ya4 n GLN 336 N -5.44 0.12 0.34 1.13 10.64 -0.62 -2.30 117.38 121.24 1ya4 n GLN 336 Ca 0.05 0.55 -0.17 0.00 -1.83 0.00 0.00 57.00 55.59 1ya4 n GLN 336 Cb 0.36 -1.83 -0.09 0.00 -0.86 0.00 0.00 30.24 27.82 1ya4 n GLN 336 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ya4 h ALA 337 N 2.08 -0.83 -2.07 2.61 0.00 -0.60 -3.38 119.26 117.07 1ya4 h ALA 337 Ca 0.00 -0.18 -0.60 0.00 0.00 0.00 0.00 54.91 54.13 1ya4 h ALA 337 Cb 0.09 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 18.11 1ya4 h ALA 337 CO 0.00 -0.97 0.56 -1.21 0.00 0.00 0.00 179.25 177.63 1ya4 s GLU 338 N -6.07 3.85 0.00 0.00 8.01 -0.97 -4.87 118.70 118.64 1ya4 s GLU 338 Ca -0.17 0.56 0.09 0.00 0.01 0.00 0.00 54.97 55.46 1ya4 s GLU 338 Cb 0.04 -3.80 0.54 0.00 -4.31 0.00 0.00 34.13 26.60 1ya4 s GLU 338 CO 0.62 -0.91 0.96 0.54 0.01 0.00 0.00 175.26 176.49 1ya4 n ARG 339 N 6.68 0.32 -2.30 1.61 3.00 -1.26 -4.38 116.66 120.33 1ya4 n ARG 339 Ca 0.06 0.00 -0.42 0.00 -0.01 0.00 0.00 57.85 57.48 1ya4 n ARG 339 Cb 0.48 -1.44 -0.00 0.00 0.00 0.00 0.00 32.46 31.50 1ya4 n ARG 339 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1ya4 n ASN 340 N -0.94 4.55 -1.27 0.55 4.13 -1.26 -4.78 115.26 116.24 1ya4 n ASN 340 Ca 0.07 -2.89 -0.02 0.00 1.68 0.00 0.00 54.58 53.42 1ya4 n ASN 340 Cb 0.03 -1.72 0.00 0.00 -1.54 0.00 0.00 39.78 36.56 1ya4 n ASN 340 CO 0.00 0.00 0.00 2.22 0.28 0.00 0.00 177.26 179.76 1ya4 n PHE 341 N 7.90 -1.06 -2.75 3.10 1.16 -1.26 -5.11 117.46 119.43 1ya4 n PHE 341 Ca 0.50 -0.30 -0.43 0.00 -1.87 0.00 0.00 57.45 55.35 1ya4 n PHE 341 Cb 0.44 0.13 -0.03 0.00 -1.61 0.00 0.00 39.48 38.40 1ya4 n PHE 341 CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 1ya4 s HIS 342 N -7.22 2.93 -0.18 2.97 5.65 -1.26 -5.01 115.29 113.17 1ya4 s HIS 342 Ca 0.03 0.57 -0.11 0.00 0.25 0.00 0.00 55.06 55.79 1ya4 s HIS 342 Cb -0.01 -4.03 -0.05 0.00 -1.18 0.00 0.00 32.58 27.32 1ya4 s HIS 342 CO 0.02 -1.09 0.19 0.95 -0.65 0.00 0.00 174.74 174.17 1ya4 s THR 343 N 3.89 5.37 0.19 0.89 -4.23 -1.26 -4.90 115.64 115.59 1ya4 s THR 343 Ca 0.40 0.33 -0.03 0.00 -1.18 0.00 0.00 61.69 61.21 1ya4 s THR 343 Cb -0.10 -3.53 -0.03 0.00 1.34 0.00 0.00 72.50 70.18 1ya4 s THR 343 CO 0.26 0.43 0.18 0.68 -0.54 0.00 0.00 174.62 175.63 1ya4 s VAL 344 N 0.32 0.03 0.11 2.29 -7.23 -1.26 -5.00 120.40 109.66 1ya4 s VAL 344 Ca 0.12 -1.85 -0.33 0.00 -1.81 0.00 0.00 61.98 58.11 1ya4 s VAL 344 Cb -0.12 -2.31 -0.12 0.00 0.56 0.00 0.00 36.38 34.38 1ya4 s VAL 344 CO 0.01 -0.12 1.71 -2.65 -0.31 0.00 0.00 175.10 173.74 1ya4 n PRO 345 N -0.25 2.40 -3.88 4.82 -0.02 -1.26 -4.52 135.00 132.29 1ya4 n PRO 345 Ca -0.01 0.87 -0.26 0.00 -2.02 0.00 0.00 63.50 62.08 1ya4 n PRO 345 Cb 0.65 -2.69 -0.17 0.00 -0.02 0.00 0.00 33.50 31.26 1ya4 n PRO 345 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1ya4 s TYR 346 N 1.95 1.33 -0.27 6.00 6.04 -0.33 -1.42 117.35 130.65 1ya4 s TYR 346 Ca 0.81 -0.63 -0.09 0.00 0.04 0.00 0.00 57.07 57.20 1ya4 s TYR 346 Cb -0.61 -1.15 -0.04 0.00 -1.04 0.00 0.00 41.96 39.12 1ya4 s TYR 346 CO 0.39 -0.48 0.14 1.41 -1.54 0.00 0.00 175.55 175.47 1ya4 s MET 347 N 1.76 3.82 -0.10 4.97 -2.45 -0.30 -1.80 119.30 125.20 1ya4 s MET 347 Ca 0.05 -0.39 0.03 0.00 -1.25 0.00 0.00 55.69 54.13 1ya4 s MET 347 Cb -0.12 -3.51 -0.01 0.00 1.25 0.00 0.00 34.83 32.44 1ya4 s MET 347 CO -0.08 -0.18 -0.21 0.08 1.05 0.00 0.00 175.02 175.68 1ya4 s VAL 348 N 1.69 2.36 0.17 10.11 1.01 0.40 -1.49 120.40 134.64 1ya4 s VAL 348 Ca 0.07 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 61.06 1ya4 s VAL 348 Cb -0.16 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 1ya4 s VAL 348 CO 0.08 0.55 0.25 -0.83 0.00 0.00 0.00 175.10 175.14 1ya4 s GLY 349 N 0.28 0.71 0.23 4.51 0.00 -0.97 -2.68 107.32 109.41 1ya4 s GLY 349 Ca -0.15 -1.10 -0.01 0.00 0.00 0.00 0.00 44.72 43.45 1ya4 s GLY 349 CO 0.08 -0.98 0.22 -0.26 0.00 0.00 0.00 173.10 172.15 1ya4 s ILE 350 N -4.02 0.00 0.03 0.90 -4.36 -0.59 -1.64 121.20 111.52 1ya4 s ILE 350 Ca 0.22 -1.90 0.03 0.00 -0.26 0.00 0.00 60.65 58.74 1ya4 s ILE 350 Cb 0.04 -2.47 -0.04 0.00 1.25 0.00 0.00 42.46 41.25 1ya4 s ILE 350 CO 0.03 0.00 -0.01 0.20 0.24 0.00 0.00 174.94 175.41 1ya4 s ASN 351 N -3.18 5.04 0.33 4.36 0.02 -1.26 -1.40 114.94 118.85 1ya4 s ASN 351 Ca 0.37 -0.08 0.11 0.00 -1.02 0.00 0.00 52.86 52.23 1ya4 s ASN 351 Cb 0.05 -1.26 0.98 0.00 0.02 0.00 0.00 41.25 41.04 1ya4 s ASN 351 CO 0.14 0.24 1.65 0.50 0.02 0.00 0.00 177.10 179.66 1ya4 h LYS 352 N 4.03 0.27 -2.07 -0.60 1.63 -0.51 -3.17 116.57 116.14 1ya4 h LYS 352 Ca -0.48 -0.02 -0.57 0.00 -0.85 0.00 0.00 60.65 58.73 1ya4 h LYS 352 Cb 1.17 -0.06 -0.40 0.00 -0.60 0.00 0.00 32.23 32.34 1ya4 h LYS 352 CO 0.58 0.18 -0.96 1.04 -3.45 0.00 0.00 179.45 176.83 1ya4 n GLN 353 N -5.12 1.19 -0.21 1.90 6.02 0.30 -4.97 117.38 116.49 1ya4 n GLN 353 Ca 0.29 -3.62 0.02 0.00 -0.01 0.00 0.00 57.00 53.68 1ya4 n GLN 353 Cb 0.90 -1.52 0.13 0.00 1.02 0.00 0.00 30.24 30.77 1ya4 n GLN 353 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1ya4 h GLU 354 N 4.11 0.22 -0.87 -1.09 4.39 -1.62 -0.78 114.58 118.94 1ya4 h GLU 354 Ca 0.11 -0.01 -0.29 0.00 0.34 0.00 0.00 59.36 59.51 1ya4 h GLU 354 Cb 0.82 -0.05 -0.17 0.00 -0.10 0.00 0.00 28.75 29.25 1ya4 h GLU 354 CO 0.56 0.15 0.37 0.34 -1.16 0.00 0.00 179.01 179.26 1ya4 n PHE 355 N -5.17 2.36 -0.10 4.33 -0.00 -1.26 -3.06 117.46 114.55 1ya4 n PHE 355 Ca 0.10 -1.30 -0.10 0.00 -0.00 0.00 0.00 57.45 56.16 1ya4 n PHE 355 Cb 0.37 -0.72 0.04 0.00 -0.00 0.00 0.00 39.48 39.18 1ya4 n PHE 355 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1ya4 h GLY 356 N 2.39 0.91 0.00 7.13 0.00 -1.45 -3.44 103.07 108.60 1ya4 h GLY 356 Ca 0.36 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1ya4 h GLY 356 CO 0.77 0.76 0.00 1.87 0.00 0.00 0.00 176.54 179.94 1ya4 n TRP 357 N -4.08 -1.58 -0.28 5.60 -0.00 -1.26 -4.97 117.44 110.86 1ya4 n TRP 357 Ca -0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.44 1ya4 n TRP 357 Cb 0.48 0.49 -0.04 0.00 -0.00 0.00 0.00 31.31 32.24 1ya4 n TRP 357 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.69 177.58 1ya4 n LEU 358 N -2.47 -0.64 0.11 5.87 7.94 -1.26 -0.33 117.00 126.22 1ya4 n LEU 358 Ca 0.00 1.22 -0.12 0.00 -1.11 0.00 0.00 56.01 56.00 1ya4 n LEU 358 Cb 0.00 -0.20 -0.08 0.00 0.53 0.00 0.00 43.42 43.68 1ya4 n LEU 358 CO 0.00 -1.03 0.45 0.40 -1.11 0.00 0.00 177.39 176.10 1ya4 h ILE 359 N 0.00 0.73 -0.54 1.96 2.04 -1.91 -1.22 117.51 118.56 1ya4 h ILE 359 Ca 0.15 -0.86 0.16 0.00 1.00 0.00 0.00 64.86 65.31 1ya4 h ILE 359 Cb 0.33 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1ya4 h ILE 359 CO -0.66 0.16 0.43 -0.65 0.00 0.00 0.00 178.15 177.43 1ya4 h PRO 360 N -0.83 0.00 0.46 2.37 0.11 -1.76 0.42 132.00 132.78 1ya4 h PRO 360 Ca -0.03 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 1ya4 h PRO 360 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 1ya4 h PRO 360 CO 0.05 0.00 -0.22 1.98 -0.21 0.00 0.00 178.00 179.60 1ya4 h MET 361 N 0.00 -0.60 -0.93 1.05 4.05 -0.59 0.59 114.93 118.51 1ya4 h MET 361 Ca 0.26 0.04 0.05 0.00 -0.28 0.00 0.00 59.70 59.77 1ya4 h MET 361 Cb 1.12 0.14 -0.06 0.00 -0.80 0.00 0.00 31.60 32.00 1ya4 h MET 361 CO -0.00 -0.40 0.60 -0.07 0.23 0.00 0.00 176.91 177.27 1ya4 h LEU 363 N -0.97 0.96 0.00 3.39 3.38 0.06 -0.16 115.31 121.97 1ya4 h LEU 363 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1ya4 h LEU 363 Cb 0.47 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1ya4 h LEU 363 CO 0.10 0.63 0.00 0.23 0.09 0.00 0.00 178.44 179.50 1ya4 n MET 364 N -4.47 0.38 -2.56 1.13 2.81 0.14 -4.85 117.12 109.69 1ya4 n MET 364 Ca 0.13 0.03 -0.03 0.00 -1.81 0.00 0.00 57.70 56.02 1ya4 n MET 364 Cb 0.16 -1.50 0.02 0.00 -0.71 0.00 0.00 33.22 31.18 1ya4 n MET 364 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1ya4 n SER 365 N -1.29 -5.53 -4.72 7.83 7.64 -0.07 -2.22 113.62 115.26 1ya4 n SER 365 Ca 0.13 -0.19 -0.40 0.00 1.01 0.00 0.00 58.87 59.41 1ya4 n SER 365 Cb 0.22 -3.74 -0.04 0.00 -1.01 0.00 0.00 64.21 59.63 1ya4 n SER 365 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1ya4 s TYR 366 N -3.09 3.61 -0.27 1.43 1.51 0.20 -4.77 117.35 115.96 1ya4 s TYR 366 Ca 0.11 1.38 0.04 0.00 -1.01 0.00 0.00 57.07 57.58 1ya4 s TYR 366 Cb -0.01 -2.89 0.22 0.00 -0.11 0.00 0.00 41.96 39.17 1ya4 s TYR 366 CO 0.49 0.07 0.92 -0.35 -1.11 0.00 0.00 175.55 175.57 1ya4 n PRO 367 N 3.75 0.03 -0.53 -1.71 -0.04 -1.26 -4.41 135.00 130.83 1ya4 n PRO 367 Ca 0.01 0.36 -0.28 0.00 -0.04 0.00 0.00 63.50 63.54 1ya4 n PRO 367 Cb 0.51 -1.90 -0.06 0.00 -0.04 0.00 0.00 33.50 32.02 1ya4 n PRO 367 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ya4 n LEU 368 N -1.53 1.98 -0.95 1.53 4.77 -1.26 -4.29 117.00 117.25 1ya4 n LEU 368 Ca -0.00 -1.87 0.12 0.00 -0.03 0.00 0.00 56.01 54.23 1ya4 n LEU 368 Cb 0.31 -0.72 0.13 0.00 -2.33 0.00 0.00 43.42 40.81 1ya4 n LEU 368 CO 0.02 -1.03 0.65 -1.54 -1.33 0.00 0.00 177.39 174.16 1ya4 n SER 369 N 6.78 2.95 0.02 -1.43 3.41 -1.26 -3.93 113.62 120.15 1ya4 n SER 369 Ca 0.34 -1.97 0.07 0.00 -0.26 0.00 0.00 58.87 57.04 1ya4 n SER 369 Cb 0.25 -0.02 -0.11 0.00 -0.26 0.00 0.00 64.21 64.07 1ya4 n SER 369 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ya4 n GLU 370 N 1.29 0.64 -2.20 4.33 -0.58 -1.26 -4.97 120.64 117.90 1ya4 n GLU 370 Ca 0.15 -0.03 -0.12 0.00 -0.42 0.00 0.00 57.16 56.75 1ya4 n GLU 370 Cb 0.59 -1.65 -0.01 0.00 -0.57 0.00 0.00 31.44 29.80 1ya4 n GLU 370 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ya4 n GLY 371 N 1.32 -0.07 3.53 0.62 0.00 -1.25 -4.99 105.19 104.35 1ya4 n GLY 371 Ca -0.07 -0.40 -0.11 0.00 0.00 0.00 0.00 46.02 45.43 1ya4 n GLY 371 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ya4 s GLN 372 N -4.53 0.79 0.33 1.61 -2.07 -1.26 -4.47 119.66 110.05 1ya4 s GLN 372 Ca 0.00 -0.04 0.00 0.00 -1.82 0.00 0.00 55.36 53.50 1ya4 s GLN 372 Cb 0.00 0.37 -0.01 0.00 -1.09 0.00 0.00 33.01 32.28 1ya4 s GLN 372 CO 0.00 -0.30 0.39 -1.17 -1.32 0.00 0.00 175.29 172.90 1ya4 s LEU 373 N -1.74 1.21 -0.15 2.60 2.96 -1.14 -4.94 118.68 117.49 1ya4 s LEU 373 Ca -0.00 -1.54 -0.21 0.00 -0.22 0.00 0.00 54.13 52.15 1ya4 s LEU 373 Cb -0.01 1.13 0.05 0.00 0.50 0.00 0.00 46.19 47.87 1ya4 s LEU 373 CO -0.02 -1.19 0.55 1.51 -1.32 0.00 0.00 176.35 175.88 1ya4 s ASP 374 N -3.26 -0.54 0.02 3.68 -4.77 -1.26 -4.39 116.67 106.14 1ya4 s ASP 374 Ca 0.34 0.88 -0.01 0.00 -3.30 0.00 0.00 52.55 50.46 1ya4 s ASP 374 Cb 0.01 0.89 0.04 0.00 -1.09 0.00 0.00 42.92 42.76 1ya4 s ASP 374 CO 0.21 -0.33 0.13 0.00 0.70 0.00 0.00 175.17 175.89 1ya4 n GLN 375 N 2.13 -0.01 0.39 2.11 1.13 -1.26 0.15 117.38 122.02 1ya4 n GLN 375 Ca -0.16 0.13 -0.16 0.00 -1.94 0.00 0.00 57.00 54.87 1ya4 n GLN 375 Cb 0.56 -0.20 -0.08 0.00 0.11 0.00 0.00 30.24 30.64 1ya4 n GLN 375 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1ya4 h LYS 376 N 0.00 -0.99 -0.63 -1.09 1.57 -2.00 -1.90 116.57 111.54 1ya4 h LYS 376 Ca 0.04 0.07 0.09 0.00 -1.87 0.00 0.00 60.65 58.98 1ya4 h LYS 376 Cb 0.06 0.22 -0.07 0.00 0.08 0.00 0.00 32.23 32.53 1ya4 h LYS 376 CO -0.09 -0.65 0.26 1.15 -0.57 0.00 0.00 179.45 179.55 1ya4 h THR 377 N -1.25 0.80 0.10 -0.16 2.02 -0.70 -2.57 112.91 111.14 1ya4 h THR 377 Ca -0.10 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1ya4 h THR 377 Cb 0.79 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1ya4 h THR 377 CO 0.17 0.08 -0.21 0.00 0.37 0.00 0.00 175.52 175.94 1ya4 h ALA 378 N 1.41 -0.79 -1.30 6.16 0.00 -1.00 -1.32 119.26 122.42 1ya4 h ALA 378 Ca 0.31 -0.06 0.38 0.00 0.00 0.00 0.00 54.91 55.55 1ya4 h ALA 378 Cb 0.36 0.57 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 1ya4 h ALA 378 CO -0.29 -0.83 0.98 0.52 0.00 0.00 0.00 179.25 179.63 1ya4 h MET 379 N -0.34 0.00 -0.02 0.00 2.07 -1.12 0.29 114.93 115.82 1ya4 h MET 379 Ca -0.01 0.00 -0.08 0.00 -2.07 0.00 0.00 59.70 57.54 1ya4 h MET 379 Cb 0.32 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 30.06 1ya4 h MET 379 CO -0.09 0.00 -0.29 1.03 1.07 0.00 0.00 176.91 178.63 1ya4 h SER 380 N 0.00 0.29 0.70 1.22 0.87 -0.96 -2.76 113.55 112.90 1ya4 h SER 380 Ca 0.62 -0.73 -0.03 0.00 -1.23 0.00 0.00 61.79 60.41 1ya4 h SER 380 Cb 2.57 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 64.44 1ya4 h SER 380 CO -0.01 0.98 -0.38 -0.07 -0.53 0.00 0.00 176.83 176.83 1ya4 h LEU 381 N -0.38 -0.92 -1.07 2.23 3.38 0.57 -0.05 115.31 119.08 1ya4 h LEU 381 Ca -0.03 0.04 0.34 0.00 0.09 0.00 0.00 57.88 58.32 1ya4 h LEU 381 Cb 1.01 0.25 -0.14 0.00 0.09 0.00 0.00 40.66 41.87 1ya4 h LEU 381 CO 0.06 -0.61 0.61 0.25 0.09 0.00 0.00 178.44 178.83 1ya4 h LEU 382 N -1.00 0.47 0.33 1.67 5.85 -1.13 0.47 115.31 121.98 1ya4 h LEU 382 Ca -0.09 0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1ya4 h LEU 382 Cb 0.78 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.95 1ya4 h LEU 382 CO 0.13 -0.15 -0.16 -0.25 -0.34 0.00 0.00 178.44 177.67 1ya4 h TRP 383 N 0.28 -0.42 0.00 1.25 -0.00 -1.09 -2.84 115.95 113.13 1ya4 h TRP 383 Ca 0.74 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.62 1ya4 h TRP 383 Cb 1.80 0.14 0.00 0.00 -0.00 0.00 0.00 29.16 31.10 1ya4 h TRP 383 CO -0.01 -0.08 0.00 1.63 -0.00 0.00 0.00 178.44 179.98 1ya4 n LYS 384 N -5.13 0.01 -0.86 2.65 5.02 0.94 -0.11 118.16 120.68 1ya4 n LYS 384 Ca -0.09 0.39 0.07 0.00 -2.02 0.00 0.00 58.31 56.66 1ya4 n LYS 384 Cb 0.27 -1.50 0.40 0.00 -0.02 0.00 0.00 35.03 34.18 1ya4 n LYS 384 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1ya4 n SER 385 N -1.45 5.61 -0.18 4.39 7.64 0.12 -4.62 113.62 125.13 1ya4 n SER 385 Ca 0.01 -2.86 -0.01 0.00 1.01 0.00 0.00 58.87 57.03 1ya4 n SER 385 Cb 0.04 -0.67 0.07 0.00 -1.01 0.00 0.00 64.21 62.65 1ya4 n SER 385 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1ya4 h TYR 386 N 4.04 -0.04 -1.00 1.43 3.20 -0.50 -1.56 116.97 122.54 1ya4 h TYR 386 Ca 0.00 0.04 0.11 0.00 3.14 0.00 0.00 58.73 62.02 1ya4 h TYR 386 Cb 1.90 0.10 -0.08 0.00 1.54 0.00 0.00 36.73 40.19 1ya4 h TYR 386 CO 1.05 -0.13 0.63 -1.00 -1.64 0.00 0.00 178.16 177.07 1ya4 h PRO 387 N 0.12 1.00 -0.22 1.82 0.13 -1.82 1.38 132.00 134.41 1ya4 h PRO 387 Ca 0.28 -0.06 -0.19 0.00 -0.87 0.00 0.00 66.00 65.16 1ya4 h PRO 387 Cb 0.43 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 31.34 1ya4 h PRO 387 CO -0.46 0.66 -0.62 -0.07 -0.23 0.00 0.00 178.00 177.28 1ya4 h LEU 388 N 1.03 0.93 0.00 1.56 3.38 -1.68 -3.38 115.31 117.15 1ya4 h LEU 388 Ca 0.49 -0.58 -0.20 0.00 0.09 0.00 0.00 57.88 57.68 1ya4 h LEU 388 Cb 0.43 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1ya4 h LEU 388 CO -0.25 1.34 -1.75 1.33 0.09 0.00 0.00 178.44 179.20 1ya4 n VAL 389 N -4.02 0.75 -2.80 1.22 0.24 -0.73 -4.10 118.33 108.89 1ya4 n VAL 389 Ca -0.06 -0.40 -0.09 0.00 -2.04 0.00 0.00 64.34 61.74 1ya4 n VAL 389 Cb 0.66 -0.80 0.04 0.00 -1.47 0.00 0.00 33.84 32.27 1ya4 n VAL 389 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ya4 s ILE 391 N -3.16 5.25 0.47 0.00 1.01 -1.26 -5.06 121.20 118.44 1ya4 s ILE 391 Ca 0.11 0.14 -0.24 0.00 0.00 0.00 0.00 60.65 60.66 1ya4 s ILE 391 Cb -0.05 -3.46 -0.08 0.00 0.01 0.00 0.00 42.46 38.88 1ya4 s ILE 391 CO 0.34 0.32 1.29 0.00 0.00 0.00 0.00 174.94 176.89 1ya4 n ALA 392 N 4.57 1.40 0.25 9.38 0.00 -1.26 -4.79 120.51 130.06 1ya4 n ALA 392 Ca -0.15 0.21 0.18 0.00 0.00 0.00 0.00 53.44 53.68 1ya4 n ALA 392 Cb 0.52 -2.30 0.85 0.00 0.00 0.00 0.00 19.45 18.53 1ya4 n ALA 392 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1ya4 h LYS 393 N 1.84 0.00 0.19 0.00 1.63 -1.97 -1.38 116.57 116.88 1ya4 h LYS 393 Ca -0.49 0.00 -0.32 0.00 -0.85 0.00 0.00 60.65 58.99 1ya4 h LYS 393 Cb 1.30 0.00 0.03 0.00 -0.60 0.00 0.00 32.23 32.96 1ya4 h LYS 393 CO 0.59 0.00 -1.37 1.05 -3.45 0.00 0.00 179.45 176.26 1ya4 h GLU 394 N 0.00 0.58 0.00 1.90 9.09 -2.04 -3.30 114.58 120.81 1ya4 h GLU 394 Ca 0.06 -0.88 0.00 0.00 0.05 0.00 0.00 59.36 58.59 1ya4 h GLU 394 Cb 0.64 0.31 0.00 0.00 -1.65 0.00 0.00 28.75 28.05 1ya4 h GLU 394 CO -0.00 1.41 0.00 -0.07 0.05 0.00 0.00 179.01 180.40 1ya4 h LEU 395 N 0.21 0.00 -0.74 3.06 3.38 -1.64 -3.35 115.31 116.23 1ya4 h LEU 395 Ca -0.22 0.00 0.13 0.00 0.09 0.00 0.00 57.88 57.88 1ya4 h LEU 395 Cb 2.06 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 42.67 1ya4 h LEU 395 CO 0.26 0.00 -0.30 0.40 0.09 0.00 0.00 178.44 178.89 1ya4 h ILE 396 N 0.00 0.14 -0.73 1.22 1.08 -1.45 0.11 117.51 117.88 1ya4 h ILE 396 Ca 0.00 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.54 1ya4 h ILE 396 Cb 0.92 0.14 -0.06 0.00 -3.07 0.00 0.00 36.82 34.75 1ya4 h ILE 396 CO 0.00 0.00 0.41 -0.65 -0.69 0.00 0.00 178.15 177.22 1ya4 h PRO 397 N -0.08 0.70 0.00 2.37 0.11 -1.79 0.80 132.00 134.12 1ya4 h PRO 397 Ca 0.30 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.31 1ya4 h PRO 397 Cb 0.57 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 1ya4 h PRO 397 CO -0.79 0.47 -0.31 1.49 -0.21 0.00 0.00 178.00 178.64 1ya4 h GLU 398 N 0.73 0.00 0.08 1.05 4.81 -1.24 -2.70 114.58 117.30 1ya4 h GLU 398 Ca 0.34 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.40 1ya4 h GLU 398 Cb 0.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1ya4 h GLU 398 CO -0.21 0.31 -0.82 0.00 -0.73 0.00 0.00 179.01 177.56 1ya4 h ALA 399 N 1.69 0.06 -0.80 2.92 0.00 -0.66 -2.94 119.26 119.53 1ya4 h ALA 399 Ca -0.00 -0.82 0.21 0.00 0.00 0.00 0.00 54.91 54.29 1ya4 h ALA 399 Cb 0.59 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1ya4 h ALA 399 CO 0.04 0.45 0.56 1.15 0.00 0.00 0.00 179.25 181.44 1ya4 h THR 400 N -0.61 0.66 0.19 0.00 2.02 -0.84 -2.73 112.91 111.60 1ya4 h THR 400 Ca -0.18 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 1ya4 h THR 400 Cb 1.46 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1ya4 h THR 400 CO 0.04 0.03 -0.09 -0.08 0.37 0.00 0.00 175.52 175.79 1ya4 h GLU 401 N 0.18 -0.24 -0.19 6.66 4.57 -1.56 -0.64 114.58 123.35 1ya4 h GLU 401 Ca 0.40 0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.65 1ya4 h GLU 401 Cb 1.28 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.92 1ya4 h GLU 401 CO -0.07 -0.15 0.84 -0.22 -1.18 0.00 0.00 179.01 178.23 1ya4 h LYS 402 N -1.06 0.00 0.00 1.92 1.63 -1.29 0.43 116.57 118.20 1ya4 h LYS 402 Ca -0.03 0.00 -0.26 0.00 -0.85 0.00 0.00 60.65 59.51 1ya4 h LYS 402 Cb 0.21 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.80 1ya4 h LYS 402 CO 0.04 0.00 -1.90 0.66 -3.45 0.00 0.00 179.45 174.80 1ya4 n TYR 403 N -2.78 0.00 1.17 1.91 4.02 -1.14 -4.72 117.16 115.62 1ya4 n TYR 403 Ca 0.04 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.05 1ya4 n TYR 403 Cb 0.91 -0.59 0.28 0.00 -0.02 0.00 0.00 39.34 39.92 1ya4 n TYR 403 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1ya4 n LEU 404 N -3.48 1.18 0.17 7.72 4.77 -0.25 -4.36 117.00 122.77 1ya4 n LEU 404 Ca -0.31 -0.35 0.12 0.00 -0.03 0.00 0.00 56.01 55.45 1ya4 n LEU 404 Cb 0.75 -0.10 0.63 0.00 -2.33 0.00 0.00 43.42 42.36 1ya4 n LEU 404 CO 0.06 0.23 0.86 1.23 -1.33 0.00 0.00 177.39 178.44 1ya4 h GLY 405 N 4.92 0.00 0.00 -0.72 0.00 -0.31 -3.42 103.07 103.55 1ya4 h GLY 405 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ya4 h GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1ya4 n GLY 406 N -1.09 -0.14 2.17 4.60 0.00 -1.26 -4.91 105.19 104.56 1ya4 n GLY 406 Ca -0.01 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.88 1ya4 n GLY 406 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ya4 n THR 407 N 0.00 0.88 1.38 2.61 -2.24 -1.26 -4.81 114.28 110.84 1ya4 n THR 407 Ca 0.00 -0.32 0.14 0.00 -2.27 0.00 0.00 64.05 61.59 1ya4 n THR 407 Cb 0.00 0.00 0.55 0.00 -2.10 0.00 0.00 70.33 68.78 1ya4 n THR 407 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ya4 n ASP 408 N 1.40 0.71 -4.63 3.42 8.00 -1.26 -4.76 116.55 119.42 1ya4 n ASP 408 Ca 0.10 -0.76 -0.43 0.00 0.71 0.00 0.00 54.79 54.41 1ya4 n ASP 408 Cb 0.21 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 1ya4 n ASP 408 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ya4 s ASP 409 N -2.43 6.17 0.15 -2.24 -1.08 -1.26 -4.87 116.67 111.11 1ya4 s ASP 409 Ca 0.29 2.07 -0.17 0.00 -0.52 0.00 0.00 52.55 54.22 1ya4 s ASP 409 Cb 0.20 -2.53 0.05 0.00 -1.46 0.00 0.00 42.92 39.18 1ya4 s ASP 409 CO 0.47 -1.36 1.76 0.71 0.52 0.00 0.00 175.17 177.27 1ya4 h THR 410 N 6.21 0.92 -0.04 1.71 1.35 -1.88 -1.08 112.91 120.11 1ya4 h THR 410 Ca -0.41 -0.10 0.01 0.00 -0.55 0.00 0.00 66.41 65.36 1ya4 h THR 410 Cb 1.20 0.61 -0.00 0.00 -1.73 0.00 0.00 68.15 68.23 1ya4 h THR 410 CO 0.97 0.05 0.03 0.58 -0.25 0.00 0.00 175.52 176.90 1ya4 h VAL 411 N 0.28 0.75 0.05 6.82 2.07 -1.82 0.36 116.25 124.76 1ya4 h VAL 411 Ca 0.15 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.42 1ya4 h VAL 411 Cb 0.11 0.98 0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1ya4 h VAL 411 CO -0.15 0.00 -1.06 0.11 0.02 0.00 0.00 177.57 176.49 1ya4 h LYS 412 N 0.00 0.44 -0.98 1.57 1.57 -1.61 -2.82 116.57 114.75 1ya4 h LYS 412 Ca 0.02 -0.54 0.01 0.00 -1.87 0.00 0.00 60.65 58.27 1ya4 h LYS 412 Cb 0.08 0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.51 1ya4 h LYS 412 CO -0.00 1.19 0.64 0.87 -0.57 0.00 0.00 179.45 181.58 1ya4 h LYS 413 N 0.22 1.29 0.20 3.15 1.57 0.14 0.27 116.57 123.41 1ya4 h LYS 413 Ca -0.11 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 1ya4 h LYS 413 Cb 1.72 -0.29 0.00 0.00 0.08 0.00 0.00 32.23 33.74 1ya4 h LYS 413 CO 0.19 0.86 -0.10 -0.22 -0.57 0.00 0.00 179.45 179.61 1ya4 h LYS 414 N 1.33 -0.26 -0.98 3.15 3.64 -1.27 1.29 116.57 123.47 1ya4 h LYS 414 Ca 0.36 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.85 1ya4 h LYS 414 Cb -0.14 0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 31.66 1ya4 h LYS 414 CO -0.08 -0.00 0.62 -0.44 -2.27 0.00 0.00 179.45 177.28 1ya4 h ASP 415 N -0.49 0.94 -0.08 4.20 3.32 -1.19 0.21 116.42 123.32 1ya4 h ASP 415 Ca -0.03 0.03 -0.17 0.00 0.02 0.00 0.00 57.03 56.89 1ya4 h ASP 415 Cb 0.37 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.76 1ya4 h ASP 415 CO 0.04 0.54 -0.54 -0.07 -1.72 0.00 0.00 179.24 177.49 1ya4 h LEU 416 N 1.04 0.74 -0.27 1.55 3.38 -0.16 -2.21 115.31 119.38 1ya4 h LEU 416 Ca 0.46 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1ya4 h LEU 416 Cb 0.36 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1ya4 h LEU 416 CO -0.23 1.14 0.15 0.15 0.09 0.00 0.00 178.44 179.73 1ya4 h PHE 417 N 0.51 0.27 -0.29 1.13 3.57 0.36 0.41 116.94 122.90 1ya4 h PHE 417 Ca 0.01 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 1ya4 h PHE 417 Cb 1.11 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.75 1ya4 h PHE 417 CO 0.05 0.16 0.04 -0.07 -2.23 0.00 0.00 178.31 176.26 1ya4 h LEU 418 N 0.31 0.39 -0.52 0.59 3.38 -0.55 -1.18 115.31 117.73 1ya4 h LEU 418 Ca 0.11 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 1ya4 h LEU 418 Cb 0.02 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1ya4 h LEU 418 CO -0.06 0.43 -0.36 0.44 0.09 0.00 0.00 178.44 178.97 1ya4 h ASP 419 N 0.42 0.86 -0.61 -0.43 3.32 -0.75 -1.88 116.42 117.35 1ya4 h ASP 419 Ca 0.10 -0.38 0.13 0.00 0.02 0.00 0.00 57.03 56.90 1ya4 h ASP 419 Cb 0.22 -0.24 -0.11 0.00 0.22 0.00 0.00 39.33 39.42 1ya4 h ASP 419 CO 0.00 1.13 -0.02 0.25 -1.72 0.00 0.00 179.24 178.88 1ya4 h LEU 420 N 0.68 -0.31 0.01 1.55 7.12 0.31 -1.46 115.31 123.21 1ya4 h LEU 420 Ca 0.06 0.16 -0.00 0.00 0.13 0.00 0.00 57.88 58.23 1ya4 h LEU 420 Cb 0.92 0.29 0.00 0.00 -0.53 0.00 0.00 40.66 41.33 1ya4 h LEU 420 CO 0.08 -0.13 -0.01 0.40 -0.13 0.00 0.00 178.44 178.66 1ya4 h ILE 421 N 0.10 1.42 -0.57 4.05 2.04 -1.26 -3.06 117.51 120.23 1ya4 h ILE 421 Ca 0.32 -1.35 0.17 0.00 1.00 0.00 0.00 64.86 64.99 1ya4 h ILE 421 Cb 0.51 2.33 -0.02 0.00 -0.74 0.00 0.00 36.82 38.90 1ya4 h ILE 421 CO -0.54 0.35 0.52 0.00 0.00 0.00 0.00 178.15 178.47 1ya4 h ALA 422 N 0.36 2.38 0.18 1.87 0.00 -0.92 -0.37 119.26 122.75 1ya4 h ALA 422 Ca -0.00 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.62 1ya4 h ALA 422 Cb 0.58 0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.45 1ya4 h ALA 422 CO 0.00 -0.81 -1.14 -0.44 0.00 0.00 0.00 179.25 176.86 1ya4 h ASP 423 N 0.00 0.69 -0.23 0.00 3.32 -1.26 0.11 116.42 119.07 1ya4 h ASP 423 Ca 0.27 -0.91 -0.15 0.00 0.02 0.00 0.00 57.03 56.26 1ya4 h ASP 423 Cb 1.31 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 1ya4 h ASP 423 CO -0.00 1.55 -0.41 0.58 -1.72 0.00 0.00 179.24 179.23 1ya4 h VAL 424 N -0.05 1.29 0.17 -1.35 2.07 -1.11 0.19 116.25 117.46 1ya4 h VAL 424 Ca -0.19 -1.59 -0.30 0.00 0.82 0.00 0.00 66.70 65.44 1ya4 h VAL 424 Cb 1.89 1.48 0.02 0.00 -1.52 0.00 0.00 31.29 33.16 1ya4 h VAL 424 CO 0.22 0.52 -1.32 0.24 0.02 0.00 0.00 177.57 177.24 1ya4 h MET 425 N 0.63 0.39 0.00 1.57 2.86 -1.24 -3.41 114.93 115.72 1ya4 h MET 425 Ca 0.05 -0.64 0.00 0.00 -2.06 0.00 0.00 59.70 57.04 1ya4 h MET 425 Cb 0.97 0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.87 1ya4 h MET 425 CO 0.09 1.30 -0.44 1.19 1.06 0.00 0.00 176.91 180.12 1ya4 n PHE 426 N -3.61 0.00 0.00 -0.22 3.01 -0.76 -4.49 117.46 111.38 1ya4 n PHE 426 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.34 1ya4 n PHE 426 Cb 1.05 0.07 0.00 0.00 -0.01 0.00 0.00 39.48 40.59 1ya4 n PHE 426 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ya4 n GLY 427 N 2.32 -1.78 0.31 1.37 0.00 0.33 -1.00 105.19 106.73 1ya4 n GLY 427 Ca 0.00 0.29 -0.10 0.00 0.00 0.00 0.00 46.02 46.21 1ya4 n GLY 427 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ya4 h VAL 428 N 0.00 0.32 -0.77 1.61 2.07 -0.93 -2.61 116.25 115.94 1ya4 h VAL 428 Ca 0.00 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.69 1ya4 h VAL 428 Cb 0.00 0.32 -0.14 0.00 -1.52 0.00 0.00 31.29 29.95 1ya4 h VAL 428 CO 0.00 0.00 -0.07 -0.65 0.02 0.00 0.00 177.57 176.87 1ya4 h PRO 429 N -0.34 0.06 -0.40 1.57 0.11 -1.73 0.19 132.00 131.45 1ya4 h PRO 429 Ca 0.11 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 1ya4 h PRO 429 Cb 0.51 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.59 1ya4 h PRO 429 CO -0.36 0.04 0.20 0.77 -0.21 0.00 0.00 178.00 178.44 1ya4 h SER 430 N 0.06 0.51 -0.45 -2.05 0.02 -0.75 -1.72 113.55 109.17 1ya4 h SER 430 Ca 0.41 -0.11 -0.11 0.00 -0.84 0.00 0.00 61.79 61.14 1ya4 h SER 430 Cb 0.70 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 1ya4 h SER 430 CO -0.73 0.48 -0.12 0.58 -1.14 0.00 0.00 176.83 175.91 1ya4 h VAL 431 N 0.51 1.26 -0.48 2.27 2.07 -0.70 -1.75 116.25 119.43 1ya4 h VAL 431 Ca 0.14 -1.24 -0.04 0.00 0.82 0.00 0.00 66.70 66.38 1ya4 h VAL 431 Cb 0.09 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1ya4 h VAL 431 CO -0.02 0.43 0.16 0.40 0.02 0.00 0.00 177.57 178.57 1ya4 h ILE 432 N 0.82 1.22 -0.83 4.57 2.04 -0.57 -0.78 117.51 123.98 1ya4 h ILE 432 Ca 0.13 -0.72 -0.03 0.00 1.00 0.00 0.00 64.86 65.24 1ya4 h ILE 432 Cb 0.65 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 1ya4 h ILE 432 CO 0.05 0.27 0.41 0.58 0.00 0.00 0.00 178.15 179.45 1ya4 h VAL 433 N 0.65 1.25 -0.15 1.67 2.07 -1.19 -2.10 116.25 118.45 1ya4 h VAL 433 Ca 0.16 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1ya4 h VAL 433 Cb 0.25 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1ya4 h VAL 433 CO -0.01 0.30 0.06 0.00 0.02 0.00 0.00 177.57 177.94 1ya4 h ALA 434 N 1.27 0.20 0.23 1.67 0.00 -0.94 -2.04 119.26 119.64 1ya4 h ALA 434 Ca 0.29 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1ya4 h ALA 434 Cb 0.10 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ya4 h ALA 434 CO -0.04 -0.22 -0.13 0.00 0.00 0.00 0.00 179.25 178.87 1ya4 h ARG 435 N 0.09 -0.33 -0.94 0.00 3.08 -0.94 -0.12 114.38 115.23 1ya4 h ARG 435 Ca 0.05 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.19 1ya4 h ARG 435 Cb 0.17 0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.23 1ya4 h ARG 435 CO -0.00 -0.22 0.59 -0.91 -1.07 0.00 0.00 179.97 178.36 1ya4 h ASN 436 N -0.34 0.93 -0.45 7.04 4.21 -1.38 0.41 115.58 125.99 1ya4 h ASN 436 Ca -0.03 0.02 -0.07 0.00 1.21 0.00 0.00 56.30 57.44 1ya4 h ASN 436 Cb 0.27 -0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 37.27 1ya4 h ASN 436 CO 0.03 0.58 0.06 -0.74 -1.29 0.00 0.00 177.43 176.07 1ya4 h HIS 437 N 1.06 0.87 0.16 1.19 2.76 -1.11 -1.46 115.15 118.62 1ya4 h HIS 437 Ca 0.41 -0.11 -0.01 0.00 -2.20 0.00 0.00 60.37 58.47 1ya4 h HIS 437 Cb 0.21 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 28.92 1ya4 h HIS 437 CO -0.02 0.77 -0.08 -0.09 -1.30 0.00 0.00 177.93 177.22 1ya4 h ARG 438 N 0.78 -0.21 0.00 5.26 2.43 0.83 -2.69 114.38 120.79 1ya4 h ARG 438 Ca 0.16 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1ya4 h ARG 438 Cb 0.39 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1ya4 h ARG 438 CO 0.01 0.06 0.00 -0.25 -1.51 0.00 0.00 179.97 178.28 1ya4 n ASP 439 N -5.07 0.00 0.09 -3.80 8.00 0.12 -0.87 116.55 115.03 1ya4 n ASP 439 Ca -0.09 -0.05 0.12 0.00 0.71 0.00 0.00 54.79 55.48 1ya4 n ASP 439 Cb 0.20 -0.18 0.12 0.00 -0.02 0.00 0.00 41.12 41.23 1ya4 n ASP 439 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ya4 h ALA 440 N 2.60 0.60 0.00 2.24 0.00 -0.94 -3.48 119.26 120.28 1ya4 h ALA 440 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ya4 h ALA 440 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ya4 h ALA 440 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1ya4 n GLY 441 N 1.26 1.06 3.72 0.00 0.00 -0.05 -4.99 105.19 106.20 1ya4 n GLY 441 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1ya4 n GLY 441 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ya4 s ALA 442 N -2.00 3.41 -0.11 4.61 0.00 -1.13 -5.05 121.76 121.49 1ya4 s ALA 442 Ca 0.00 -0.83 -0.38 0.00 0.00 0.00 0.00 51.96 50.75 1ya4 s ALA 442 Cb 0.00 -1.53 -0.15 0.00 0.00 0.00 0.00 23.12 21.44 1ya4 s ALA 442 CO 0.00 0.62 1.62 -2.30 0.00 0.00 0.00 175.76 175.70 1ya4 n PRO 443 N 1.79 1.34 -4.20 0.00 -0.02 -1.26 -4.32 135.00 128.32 1ya4 n PRO 443 Ca -0.17 0.49 -0.16 0.00 -2.02 0.00 0.00 63.50 61.64 1ya4 n PRO 443 Cb 0.53 -2.18 -0.14 0.00 -0.02 0.00 0.00 33.50 31.69 1ya4 n PRO 443 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1ya4 s THR 444 N 2.46 0.47 -0.00 3.45 2.01 -1.26 -1.18 115.64 121.58 1ya4 s THR 444 Ca 0.92 -0.25 0.02 0.00 0.31 0.00 0.00 61.69 62.69 1ya4 s THR 444 Cb -0.96 -0.40 -0.01 0.00 0.01 0.00 0.00 72.50 71.14 1ya4 s THR 444 CO 0.56 0.13 -0.07 -0.31 -0.69 0.00 0.00 174.62 174.25 1ya4 s TYR 445 N -0.13 0.60 0.24 4.92 2.02 -0.74 0.12 117.35 124.38 1ya4 s TYR 445 Ca 0.02 -0.12 0.10 0.00 -0.37 0.00 0.00 57.07 56.70 1ya4 s TYR 445 Cb -0.02 -0.39 -0.05 0.00 -0.40 0.00 0.00 41.96 41.10 1ya4 s TYR 445 CO -0.00 -0.01 -0.18 -1.64 -1.57 0.00 0.00 175.55 172.15 1ya4 s MET 446 N -0.20 1.51 -0.00 -0.62 -1.94 -1.25 -0.46 119.30 116.33 1ya4 s MET 446 Ca 0.02 -1.67 -0.21 0.00 -1.71 0.00 0.00 55.69 52.12 1ya4 s MET 446 Cb -0.03 -1.49 0.04 0.00 2.01 0.00 0.00 34.83 35.37 1ya4 s MET 446 CO -0.00 0.27 0.47 1.52 -0.01 0.00 0.00 175.02 177.27 1ya4 s TYR 447 N -2.64 -0.37 -0.20 -0.03 1.13 -1.09 -2.06 117.35 112.09 1ya4 s TYR 447 Ca 0.26 0.54 -0.01 0.00 -1.41 0.00 0.00 57.07 56.45 1ya4 s TYR 447 Cb -0.03 0.25 0.05 0.00 -1.10 0.00 0.00 41.96 41.13 1ya4 s TYR 447 CO 0.11 -0.53 -0.02 -2.00 -2.51 0.00 0.00 175.55 170.60 1ya4 s GLU 448 N -1.70 1.26 -0.18 -3.49 2.12 0.55 -1.55 118.70 115.70 1ya4 s GLU 448 Ca -0.10 -0.67 -0.23 0.00 0.36 0.00 0.00 54.97 54.33 1ya4 s GLU 448 Cb -0.02 -2.26 -0.02 0.00 0.26 0.00 0.00 34.13 32.09 1ya4 s GLU 448 CO 0.04 -0.56 0.75 0.12 -0.54 0.00 0.00 175.26 175.07 1ya4 s PHE 449 N 1.61 3.40 -0.42 5.30 5.36 -0.49 -0.60 117.98 132.14 1ya4 s PHE 449 Ca -0.02 1.12 0.02 0.00 -0.96 0.00 0.00 56.93 57.09 1ya4 s PHE 449 Cb -0.17 -2.93 0.15 0.00 -0.34 0.00 0.00 43.02 39.73 1ya4 s PHE 449 CO -0.07 -0.22 0.27 1.14 -1.46 0.00 0.00 175.22 174.88 1ya4 s GLN 450 N 2.08 1.02 -0.02 10.12 -2.07 -0.50 -0.10 119.66 130.19 1ya4 s GLN 450 Ca 0.34 -1.90 -0.26 0.00 -1.82 0.00 0.00 55.36 51.73 1ya4 s GLN 450 Cb -0.16 -1.82 0.06 0.00 -1.09 0.00 0.00 33.01 29.99 1ya4 s GLN 450 CO 0.11 -1.24 0.57 -0.47 -1.32 0.00 0.00 175.29 172.94 1ya4 s TYR 451 N 0.39 -0.51 -0.49 9.60 5.04 -1.26 -4.49 117.35 125.63 1ya4 s TYR 451 Ca 0.22 0.82 -0.03 0.00 -2.44 0.00 0.00 57.07 55.63 1ya4 s TYR 451 Cb -0.15 0.33 0.13 0.00 0.35 0.00 0.00 41.96 42.61 1ya4 s TYR 451 CO -0.06 -0.57 0.29 0.50 -1.34 0.00 0.00 175.55 174.38 1ya4 s ARG 452 N -1.44 2.22 0.60 4.97 3.52 -1.26 -0.84 118.95 126.73 1ya4 s ARG 452 Ca -0.11 -2.05 -0.18 0.00 -0.13 0.00 0.00 55.73 53.26 1ya4 s ARG 452 Cb -0.01 -3.66 -0.06 0.00 -1.56 0.00 0.00 34.95 29.66 1ya4 s ARG 452 CO 0.07 -1.12 0.81 -0.35 -0.81 0.00 0.00 175.30 173.90 1ya4 n PRO 453 N 4.25 0.72 0.00 5.12 -0.04 -1.26 -4.84 135.00 138.95 1ya4 n PRO 453 Ca 0.01 0.28 0.12 0.00 -0.04 0.00 0.00 63.50 63.87 1ya4 n PRO 453 Cb 0.40 -2.01 0.63 0.00 -0.04 0.00 0.00 33.50 32.48 1ya4 n PRO 453 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ya4 n SER 454 N -0.41 0.00 -0.70 3.54 3.41 -1.26 -2.53 113.62 115.67 1ya4 n SER 454 Ca 0.13 -0.08 0.13 0.00 -0.26 0.00 0.00 58.87 58.79 1ya4 n SER 454 Cb 0.48 -0.28 0.34 0.00 -0.26 0.00 0.00 64.21 64.49 1ya4 n SER 454 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1ya4 n PHE 455 N -1.28 0.05 -0.62 7.33 3.01 -1.26 -4.96 117.46 119.74 1ya4 n PHE 455 Ca 0.12 -0.03 -0.30 0.00 1.01 0.00 0.00 57.45 58.25 1ya4 n PHE 455 Cb 0.19 0.00 0.18 0.00 -0.01 0.00 0.00 39.48 39.85 1ya4 n PHE 455 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1ya4 n SER 456 N 0.68 -2.48 -4.86 4.37 7.64 -1.05 -4.95 113.62 112.96 1ya4 n SER 456 Ca 0.17 -0.20 -0.31 0.00 1.01 0.00 0.00 58.87 59.54 1ya4 n SER 456 Cb 0.45 -0.95 -0.02 0.00 -1.01 0.00 0.00 64.21 62.68 1ya4 n SER 456 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ya4 s SER 457 N -1.95 6.50 0.06 6.43 0.15 -1.26 -4.96 113.70 118.67 1ya4 s SER 457 Ca 0.55 1.35 -0.23 0.00 0.70 0.00 0.00 55.95 58.33 1ya4 s SER 457 Cb -0.12 -2.42 -0.14 0.00 -1.71 0.00 0.00 66.02 61.63 1ya4 s SER 457 CO 0.62 -0.56 1.55 0.44 1.20 0.00 0.00 173.24 176.48 1ya4 h ASP 458 N 0.80 0.11 0.00 5.45 3.32 -1.99 -1.97 116.42 122.15 1ya4 h ASP 458 Ca -0.47 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.37 1ya4 h ASP 458 Cb 1.19 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1ya4 h ASP 458 CO 0.62 0.30 0.27 0.23 -1.72 0.00 0.00 179.24 178.95 1ya4 n MET 459 N -4.91 0.09 -2.79 3.56 2.81 -1.26 -4.45 117.12 110.17 1ya4 n MET 459 Ca -0.06 0.55 -0.42 0.00 -1.81 0.00 0.00 57.70 55.96 1ya4 n MET 459 Cb 0.14 -2.05 -0.03 0.00 -0.71 0.00 0.00 33.22 30.56 1ya4 n MET 459 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1ya4 s LYS 460 N -3.28 4.25 0.29 0.03 2.20 -0.74 -5.01 119.74 117.49 1ya4 s LYS 460 Ca -0.01 1.14 -0.30 0.00 -0.36 0.00 0.00 55.97 56.44 1ya4 s LYS 460 Cb 0.04 -3.62 -0.11 0.00 -1.51 0.00 0.00 37.83 32.62 1ya4 s LYS 460 CO 0.11 -0.51 1.60 -1.25 -0.36 0.00 0.00 175.35 174.94 1ya4 s PRO 461 N 2.79 4.12 0.00 4.03 0.04 -1.26 -4.85 135.00 139.86 1ya4 s PRO 461 Ca 0.40 2.59 0.03 0.00 0.04 0.00 0.00 61.00 64.06 1ya4 s PRO 461 Cb -0.16 -3.02 0.14 0.00 0.04 0.00 0.00 34.50 31.50 1ya4 s PRO 461 CO 0.08 -0.64 1.03 1.63 0.04 0.00 0.00 177.00 179.14 1ya4 n LYS 462 N 2.19 0.02 -0.03 4.56 5.02 -1.26 -1.89 118.16 126.76 1ya4 n LYS 462 Ca 0.08 0.38 -0.15 0.00 -2.02 0.00 0.00 58.31 56.60 1ya4 n LYS 462 Cb 0.37 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.78 1ya4 n LYS 462 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1ya4 h THR 463 N 0.00 1.45 -2.78 -0.18 2.02 -2.03 -3.45 112.91 107.94 1ya4 h THR 463 Ca 0.00 -1.70 -0.52 0.00 0.77 0.00 0.00 66.41 64.96 1ya4 h THR 463 Cb 0.04 2.40 0.06 0.00 -1.74 0.00 0.00 68.15 68.92 1ya4 h THR 463 CO 0.00 0.48 1.00 -0.69 0.37 0.00 0.00 175.52 176.67 1ya4 s VAL 464 N -3.60 2.02 -0.03 3.16 1.01 -0.80 -5.02 120.40 117.14 1ya4 s VAL 464 Ca -0.15 0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.85 1ya4 s VAL 464 Cb 0.03 -3.01 0.02 0.00 0.00 0.00 0.00 36.38 33.42 1ya4 s VAL 464 CO 0.75 0.00 -0.01 -0.63 0.00 0.00 0.00 175.10 175.22 1ya4 s ILE 465 N 0.97 0.22 -0.40 2.22 1.01 -1.26 -4.77 121.20 119.20 1ya4 s ILE 465 Ca 0.73 0.03 -0.02 0.00 0.00 0.00 0.00 60.65 61.39 1ya4 s ILE 465 Cb -0.50 -0.29 0.00 0.00 0.01 0.00 0.00 42.46 41.69 1ya4 s ILE 465 CO 0.35 0.14 0.34 0.61 0.00 0.00 0.00 174.94 176.38 1ya4 n GLY 466 N 3.95 0.43 3.56 6.18 0.00 -0.02 -3.28 105.19 116.00 1ya4 n GLY 466 Ca -0.25 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 1ya4 n GLY 466 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ya4 s ASP 467 N -3.18 0.99 0.27 1.61 2.15 -1.25 -0.54 116.67 116.72 1ya4 s ASP 467 Ca 0.13 0.88 -0.30 0.00 0.43 0.00 0.00 52.55 53.69 1ya4 s ASP 467 Cb -0.06 -1.30 -0.12 0.00 -0.30 0.00 0.00 42.92 41.14 1ya4 s ASP 467 CO 0.22 -4.11 1.64 1.57 -0.17 0.00 0.00 175.17 174.33 1ya4 n HIS 468 N -4.79 2.87 -1.11 -5.34 -0.00 -1.17 -2.14 115.22 103.54 1ya4 n HIS 468 Ca 0.10 0.18 -0.04 0.00 -0.00 0.00 0.00 57.72 57.97 1ya4 n HIS 468 Cb 0.59 -2.63 -0.02 0.00 -0.00 0.00 0.00 29.99 27.93 1ya4 n HIS 468 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1ya4 n GLY 469 N 2.65 0.60 0.19 1.57 0.00 -1.26 -4.89 105.19 104.05 1ya4 n GLY 469 Ca 0.10 -0.21 0.07 0.00 0.00 0.00 0.00 46.02 45.98 1ya4 n GLY 469 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ya4 h ASP 470 N 0.00 0.00 1.29 1.61 3.32 -1.76 -2.98 116.42 117.90 1ya4 h ASP 470 Ca -0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1ya4 h ASP 470 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1ya4 h ASP 470 CO 0.12 0.33 0.00 1.05 -1.72 0.00 0.00 179.24 179.02 1ya4 h GLU 471 N 0.00 0.00 -0.69 3.56 9.09 -1.90 -3.27 114.58 121.37 1ya4 h GLU 471 Ca -0.00 0.00 0.11 0.00 0.05 0.00 0.00 59.36 59.51 1ya4 h GLU 471 Cb 0.91 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 27.93 1ya4 h GLU 471 CO 0.04 0.00 0.29 -0.07 0.05 0.00 0.00 179.01 179.33 1ya4 h LEU 472 N 0.00 0.32 -1.48 3.06 3.38 -1.93 -0.75 115.31 117.91 1ya4 h LEU 472 Ca 0.00 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1ya4 h LEU 472 Cb 0.65 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1ya4 h LEU 472 CO 0.00 0.17 0.37 -0.26 0.09 0.00 0.00 178.44 178.81 1ya4 h PHE 473 N 0.49 0.66 0.05 1.13 -1.00 -1.78 -0.04 116.94 116.45 1ya4 h PHE 473 Ca 0.35 0.02 -0.14 0.00 2.81 0.00 0.00 57.97 61.01 1ya4 h PHE 473 Cb 0.45 -0.22 0.01 0.00 3.61 0.00 0.00 35.95 39.80 1ya4 h PHE 473 CO -0.15 0.41 -0.60 0.77 -1.61 0.00 0.00 178.31 177.13 1ya4 h SER 474 N 0.71 0.43 -0.82 2.17 0.02 -1.59 -0.28 113.55 114.19 1ya4 h SER 474 Ca 0.21 -0.85 0.04 0.00 -0.84 0.00 0.00 61.79 60.36 1ya4 h SER 474 Cb -0.01 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.34 1ya4 h SER 474 CO -0.05 1.24 0.54 0.58 -1.14 0.00 0.00 176.83 177.99 1ya4 h VAL 475 N -0.31 1.11 -0.56 2.27 2.07 -0.78 -2.70 116.25 117.34 1ya4 h VAL 475 Ca -0.09 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1ya4 h VAL 475 Cb 1.37 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1ya4 h VAL 475 CO 0.11 0.18 0.00 0.49 0.02 0.00 0.00 177.57 178.37 1ya4 n PHE 476 N -4.46 1.64 -2.74 1.57 3.01 -0.06 -4.75 117.46 111.67 1ya4 n PHE 476 Ca 0.11 -0.69 -0.22 0.00 1.01 0.00 0.00 57.45 57.67 1ya4 n PHE 476 Cb 0.14 -0.36 0.01 0.00 -0.01 0.00 0.00 39.48 39.27 1ya4 n PHE 476 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ya4 n GLY 477 N 0.70 -0.51 0.39 1.37 0.00 -1.02 -4.47 105.19 101.65 1ya4 n GLY 477 Ca 0.26 0.07 0.25 0.00 0.00 0.00 0.00 46.02 46.59 1ya4 n GLY 477 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ya4 h ALA 478 N 1.00 2.17 -0.03 4.61 0.00 -1.26 0.23 119.26 125.99 1ya4 h ALA 478 Ca -0.51 0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.52 1ya4 h ALA 478 Cb 1.37 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 1ya4 h ALA 478 CO 0.58 -0.68 0.05 -1.35 0.00 0.00 0.00 179.25 177.84 1ya4 h PRO 479 N 0.36 0.00 -0.01 0.00 0.11 -1.87 0.43 132.00 131.01 1ya4 h PRO 479 Ca 0.68 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.79 1ya4 h PRO 479 Cb 1.69 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.80 1ya4 h PRO 479 CO -0.43 0.00 -0.37 1.19 -0.21 0.00 0.00 178.00 178.18 1ya4 n PHE 480 N -3.48 0.00 0.00 0.65 3.01 0.80 -4.30 117.46 114.15 1ya4 n PHE 480 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1ya4 n PHE 480 Cb 0.13 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 39.50 1ya4 n PHE 480 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1ya4 n LEU 481 N -0.60 0.02 0.00 4.37 4.77 -0.73 -4.93 117.00 119.90 1ya4 n LEU 481 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1ya4 n LEU 481 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1ya4 n LEU 481 CO 0.28 0.00 0.00 0.29 -1.33 0.00 0.00 177.39 176.63 1ya4 n LYS 482 N -1.94 1.00 -4.17 3.23 5.02 0.14 -3.86 118.16 117.58 1ya4 n LYS 482 Ca 0.00 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.11 1ya4 n LYS 482 Cb 0.48 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.37 1ya4 n LYS 482 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1ya4 s GLU 483 N -1.00 0.82 0.00 1.97 2.56 -1.26 -4.86 118.70 116.93 1ya4 s GLU 483 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 54.97 54.01 1ya4 s GLU 483 Cb 0.00 -0.84 0.00 0.00 2.00 0.00 0.00 34.13 35.29 1ya4 s GLU 483 CO 0.00 0.19 0.00 0.41 -0.56 0.00 0.00 175.26 175.30 1ya4 n GLY 484 N 1.28 0.66 3.67 -1.50 0.00 -1.26 -5.03 105.19 103.01 1ya4 n GLY 484 Ca -0.21 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 1ya4 n GLY 484 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ya4 s ALA 485 N -2.00 3.59 0.99 4.61 0.00 -1.26 -5.00 121.76 122.69 1ya4 s ALA 485 Ca 0.00 0.56 -0.11 0.00 0.00 0.00 0.00 51.96 52.41 1ya4 s ALA 485 Cb 0.00 -3.58 0.19 0.00 0.00 0.00 0.00 23.12 19.73 1ya4 s ALA 485 CO 0.00 -1.00 1.11 -1.54 0.00 0.00 0.00 175.76 174.33 1ya4 s SER 486 N 1.81 2.33 0.53 0.00 1.04 -1.26 -4.74 113.70 113.40 1ya4 s SER 486 Ca 0.56 1.96 0.34 0.00 0.48 0.00 0.00 55.95 59.29 1ya4 s SER 486 Cb -0.24 -2.48 1.48 0.00 0.10 0.00 0.00 66.02 64.88 1ya4 s SER 486 CO 0.19 -3.44 2.00 -0.08 0.98 0.00 0.00 173.24 172.90 1ya4 h GLU 487 N -2.10 0.00 -0.20 4.02 4.57 -2.00 -2.05 114.58 116.82 1ya4 h GLU 487 Ca -0.49 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 57.48 1ya4 h GLU 487 Cb 1.29 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.89 1ya4 h GLU 487 CO 0.45 0.00 -0.70 1.49 -1.18 0.00 0.00 179.01 179.07 1ya4 h GLU 488 N 0.00 0.83 -0.17 1.92 4.81 -2.01 -3.11 114.58 116.86 1ya4 h GLU 488 Ca 0.00 -0.62 -0.21 0.00 -0.13 0.00 0.00 59.36 58.39 1ya4 h GLU 488 Cb 0.41 0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.91 1ya4 h GLU 488 CO 0.00 1.24 -0.72 1.49 -0.73 0.00 0.00 179.01 180.29 1ya4 h GLU 489 N 0.59 0.78 -0.74 1.92 4.81 -1.75 -2.72 114.58 117.47 1ya4 h GLU 489 Ca -0.03 -0.62 0.08 0.00 -0.13 0.00 0.00 59.36 58.66 1ya4 h GLU 489 Cb 1.33 0.12 -0.05 0.00 0.63 0.00 0.00 28.75 30.78 1ya4 h GLU 489 CO 0.15 1.23 0.49 0.82 -0.73 0.00 0.00 179.01 180.97 1ya4 h ILE 490 N 0.52 0.98 -0.05 2.32 2.04 -1.46 -1.55 117.51 120.31 1ya4 h ILE 490 Ca -0.04 -0.24 -0.16 0.00 1.00 0.00 0.00 64.86 65.41 1ya4 h ILE 490 Cb 1.35 0.20 0.01 0.00 -0.74 0.00 0.00 36.82 37.65 1ya4 h ILE 490 CO 0.15 0.13 -0.59 0.03 0.00 0.00 0.00 178.15 177.87 1ya4 h ARG 491 N 0.71 0.49 -0.65 2.37 3.08 -1.52 -2.14 114.38 116.73 1ya4 h ARG 491 Ca 0.33 -0.46 0.11 0.00 0.07 0.00 0.00 59.98 60.03 1ya4 h ARG 491 Cb 0.36 0.11 -0.08 0.00 0.08 0.00 0.00 29.97 30.44 1ya4 h ARG 491 CO -0.12 1.10 0.21 1.25 -1.07 0.00 0.00 179.97 181.35 1ya4 h LEU 492 N 0.05 0.16 -0.46 3.04 5.85 -1.01 -0.85 115.31 122.10 1ya4 h LEU 492 Ca -0.06 0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1ya4 h LEU 492 Cb 1.27 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.38 1ya4 h LEU 492 CO 0.12 0.08 0.07 -1.28 -0.34 0.00 0.00 178.44 177.10 1ya4 h SER 493 N 0.37 0.73 -0.77 1.25 0.87 -1.33 -0.85 113.55 113.82 1ya4 h SER 493 Ca 0.34 -0.26 0.09 0.00 -1.23 0.00 0.00 61.79 60.73 1ya4 h SER 493 Cb 0.48 -0.19 -0.07 0.00 -0.44 0.00 0.00 62.40 62.18 1ya4 h SER 493 CO -0.37 0.80 0.42 0.11 -0.53 0.00 0.00 176.83 177.26 1ya4 h LYS 494 N 0.62 0.69 0.24 2.24 1.57 -0.58 -1.94 116.57 119.41 1ya4 h LYS 494 Ca 0.14 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1ya4 h LYS 494 Cb 0.38 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1ya4 h LYS 494 CO 0.01 0.45 -0.12 1.98 -0.57 0.00 0.00 179.45 181.21 1ya4 h MET 495 N 0.71 -0.32 -0.63 3.15 4.05 -0.96 -2.41 114.93 118.52 1ya4 h MET 495 Ca 0.37 0.02 0.10 0.00 -0.28 0.00 0.00 59.70 59.91 1ya4 h MET 495 Cb 0.35 0.07 -0.07 0.00 -0.80 0.00 0.00 31.60 31.15 1ya4 h MET 495 CO -0.25 0.00 0.25 0.28 0.23 0.00 0.00 176.91 177.42 1ya4 h VAL 496 N -0.65 0.77 -0.59 -5.77 2.07 -0.93 0.31 116.25 111.46 1ya4 h VAL 496 Ca -0.03 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.26 1ya4 h VAL 496 Cb 0.46 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1ya4 h VAL 496 CO 0.05 0.08 0.06 0.24 0.02 0.00 0.00 177.57 178.03 1ya4 h MET 497 N 0.43 1.00 0.20 1.57 2.86 -1.39 0.17 114.93 119.76 1ya4 h MET 497 Ca 0.32 -0.29 0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1ya4 h MET 497 Cb 0.40 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 1ya4 h MET 497 CO -0.31 0.96 -0.26 0.87 1.06 0.00 0.00 176.91 179.22 1ya4 h LYS 498 N 0.89 -0.50 -0.01 1.72 1.79 -0.85 0.49 116.57 120.09 1ya4 h LYS 498 Ca 0.17 0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.70 1ya4 h LYS 498 Cb 0.47 0.11 -0.05 0.00 -1.58 0.00 0.00 32.23 31.19 1ya4 h LYS 498 CO 0.02 -0.34 -0.44 0.74 -1.08 0.00 0.00 179.45 178.35 1ya4 h PHE 499 N -0.52 -1.28 -0.33 -1.35 0.05 -0.62 0.40 116.94 113.28 1ya4 h PHE 499 Ca 0.01 0.04 0.07 0.00 3.82 0.00 0.00 57.97 61.91 1ya4 h PHE 499 Cb 0.51 0.56 -0.07 0.00 2.00 0.00 0.00 35.95 38.95 1ya4 h PHE 499 CO -0.20 -0.46 -0.10 -1.49 -0.18 0.00 0.00 178.31 175.87 1ya4 h TRP 500 N -0.54 -0.24 -0.70 -0.55 -0.00 -0.52 -1.72 115.95 111.68 1ya4 h TRP 500 Ca 0.01 0.03 0.01 0.00 -0.00 0.00 0.00 58.89 58.94 1ya4 h TRP 500 Cb 0.58 0.16 -0.04 0.00 -0.00 0.00 0.00 29.16 29.86 1ya4 h TRP 500 CO -0.50 -0.17 0.46 0.00 -0.00 0.00 0.00 178.44 178.23 1ya4 h ALA 501 N 1.28 0.90 -0.71 1.49 0.00 0.38 -0.90 119.26 121.69 1ya4 h ALA 501 Ca 0.16 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1ya4 h ALA 501 Cb 0.28 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1ya4 h ALA 501 CO -0.36 0.29 0.46 -0.91 0.00 0.00 0.00 179.25 178.73 1ya4 h ASN 502 N 0.93 0.77 0.38 0.00 2.35 0.28 -0.70 115.58 119.59 1ya4 h ASN 502 Ca 0.26 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 56.00 1ya4 h ASN 502 Cb -0.08 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 1ya4 h ASN 502 CO -0.07 0.54 -0.31 0.15 -1.65 0.00 0.00 177.43 176.10 1ya4 h PHE 503 N 0.91 -0.83 -0.84 1.19 3.57 -0.72 0.39 116.94 120.61 1ya4 h PHE 503 Ca 0.27 0.00 0.24 0.00 3.53 0.00 0.00 57.97 62.02 1ya4 h PHE 503 Cb -0.04 0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.98 1ya4 h PHE 503 CO -0.03 -0.46 0.68 0.00 -2.23 0.00 0.00 178.31 176.27 1ya4 h ALA 504 N -0.18 2.73 0.00 2.41 0.00 -0.60 1.03 119.26 124.64 1ya4 h ALA 504 Ca -0.03 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1ya4 h ALA 504 Cb 0.61 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1ya4 h ALA 504 CO -0.02 -1.11 -0.54 0.00 0.00 0.00 0.00 179.25 177.57 1ya4 h ARG 505 N 0.00 0.00 0.00 0.00 3.08 0.44 -3.43 114.38 114.47 1ya4 h ARG 505 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.45 1ya4 h ARG 505 Cb 1.75 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.80 1ya4 h ARG 505 CO -0.00 0.92 0.00 0.09 -1.07 0.00 0.00 179.97 179.90 1ya4 n ASN 506 N -4.54 1.37 -2.29 7.04 3.02 0.12 -5.00 115.26 114.97 1ya4 n ASN 506 Ca -0.19 -1.40 -0.15 0.00 -0.03 0.00 0.00 54.58 52.80 1ya4 n ASN 506 Cb 0.53 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.74 1ya4 n ASN 506 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ya4 n GLY 507 N -0.20 -0.10 3.17 7.41 0.00 0.35 -4.98 105.19 110.84 1ya4 n GLY 507 Ca 0.00 -0.12 0.05 0.00 0.00 0.00 0.00 46.02 45.94 1ya4 n GLY 507 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ya4 s ASN 508 N -2.97 -0.80 0.40 1.61 3.84 -1.25 -4.93 114.94 110.84 1ya4 s ASN 508 Ca 0.28 0.54 0.13 0.00 0.21 0.00 0.00 52.86 54.02 1ya4 s ASN 508 Cb -0.12 1.69 0.96 0.00 -0.55 0.00 0.00 41.25 43.22 1ya4 s ASN 508 CO 0.35 -0.15 1.89 1.55 -2.79 0.00 0.00 177.10 177.95 1ya4 h PRO 509 N 7.97 0.52 -6.54 0.43 0.13 -1.84 -3.28 132.00 129.39 1ya4 h PRO 509 Ca -0.17 -0.03 -0.55 0.00 -0.87 0.00 0.00 66.00 64.38 1ya4 h PRO 509 Cb 1.16 -0.12 0.21 0.00 0.13 0.00 0.00 31.00 32.39 1ya4 h PRO 509 CO 0.04 0.34 -0.84 0.09 -0.23 0.00 0.00 178.00 177.41 1ya4 n ASN 510 N -4.51 -2.79 0.00 1.44 3.02 -1.26 -4.49 115.26 106.66 1ya4 n ASN 510 Ca 0.16 0.39 0.00 0.00 -0.03 0.00 0.00 54.58 55.09 1ya4 n ASN 510 Cb 0.51 -1.09 0.00 0.00 -0.61 0.00 0.00 39.78 38.59 1ya4 n ASN 510 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ya4 n GLY 511 N 2.03 0.62 3.80 7.41 0.00 -1.26 -4.89 105.19 112.89 1ya4 n GLY 511 Ca 0.06 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.84 1ya4 n GLY 511 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ya4 s GLU 512 N -2.00 4.05 0.00 1.61 -1.05 -1.26 -3.33 118.70 116.72 1ya4 s GLU 512 Ca 0.00 1.36 0.00 0.00 -0.15 0.00 0.00 54.97 56.18 1ya4 s GLU 512 Cb 0.00 -2.30 0.00 0.00 -0.44 0.00 0.00 34.13 31.39 1ya4 s GLU 512 CO 0.00 -0.21 0.00 0.41 0.95 0.00 0.00 175.26 176.41 1ya4 n GLY 513 N -0.07 0.77 3.19 -3.83 0.00 -1.26 -5.04 105.19 98.95 1ya4 n GLY 513 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 1ya4 n GLY 513 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ya4 s LEU 514 N 0.00 2.27 1.18 0.99 1.43 -1.21 -5.10 118.68 118.24 1ya4 s LEU 514 Ca 0.00 -0.61 -0.17 0.00 -1.03 0.00 0.00 54.13 52.32 1ya4 s LEU 514 Cb 0.00 -0.61 0.21 0.00 0.03 0.00 0.00 46.19 45.82 1ya4 s LEU 514 CO 0.00 -0.03 0.42 -2.65 0.23 0.00 0.00 176.35 174.31 1ya4 n PRO 515 N 1.32 -2.44 -3.43 1.29 -0.02 -1.26 -4.77 135.00 125.68 1ya4 n PRO 515 Ca -0.20 -0.70 -0.38 0.00 -2.02 0.00 0.00 63.50 60.19 1ya4 n PRO 515 Cb 0.54 -1.81 -0.06 0.00 -0.02 0.00 0.00 33.50 32.15 1ya4 n PRO 515 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1ya4 s HIS 516 N -2.23 3.67 -0.35 6.00 2.46 -1.26 -4.77 115.29 118.81 1ya4 s HIS 516 Ca 0.58 0.98 -0.00 0.00 0.47 0.00 0.00 55.06 57.09 1ya4 s HIS 516 Cb -0.14 -2.38 0.09 0.00 -0.13 0.00 0.00 32.58 30.01 1ya4 s HIS 516 CO 0.60 0.50 0.09 -0.46 -2.47 0.00 0.00 174.74 173.00 1ya4 s TRP 517 N -0.57 3.54 0.27 3.88 -0.11 -1.26 -4.51 118.94 120.18 1ya4 s TRP 517 Ca 0.25 -2.45 -0.30 0.00 1.22 0.00 0.00 56.10 54.82 1ya4 s TRP 517 Cb -0.16 -2.79 -0.11 0.00 -1.50 0.00 0.00 33.47 28.91 1ya4 s TRP 517 CO 0.13 -0.92 1.50 -1.25 -4.62 0.00 0.00 176.95 171.79 1ya4 s PRO 518 N 1.10 4.20 0.77 5.86 0.04 -1.26 -4.86 135.00 140.85 1ya4 s PRO 518 Ca 0.05 2.43 -0.13 0.00 0.04 0.00 0.00 61.00 63.38 1ya4 s PRO 518 Cb -0.21 -3.07 0.06 0.00 0.04 0.00 0.00 34.50 31.33 1ya4 s PRO 518 CO -0.05 -0.51 1.17 -2.00 0.04 0.00 0.00 177.00 175.66 1ya4 s GLU 519 N -0.53 1.94 -1.07 4.56 2.12 -1.26 -4.47 118.70 120.00 1ya4 s GLU 519 Ca 0.60 1.62 -0.17 0.00 0.36 0.00 0.00 54.97 57.38 1ya4 s GLU 519 Cb -0.44 -1.83 0.14 0.00 0.26 0.00 0.00 34.13 32.26 1ya4 s GLU 519 CO 0.46 -1.95 1.31 -0.47 -0.54 0.00 0.00 175.26 174.07 1ya4 s TYR 520 N -2.27 3.20 0.00 5.30 5.04 0.33 -3.92 117.35 125.04 1ya4 s TYR 520 Ca 0.71 -1.65 0.00 0.00 -2.44 0.00 0.00 57.07 53.68 1ya4 s TYR 520 Cb -0.26 -4.36 0.00 0.00 0.35 0.00 0.00 41.96 37.70 1ya4 s TYR 520 CO 0.49 -1.51 0.00 0.27 -1.34 0.00 0.00 175.55 173.46 1ya4 n ASN 521 N 6.50 0.00 0.20 4.32 0.23 -1.26 -4.59 115.26 120.66 1ya4 n ASN 521 Ca 0.31 0.00 0.04 0.00 -0.53 0.00 0.00 54.58 54.40 1ya4 n ASN 521 Cb 0.47 0.00 0.44 0.00 -2.08 0.00 0.00 39.78 38.61 1ya4 n ASN 521 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1ya4 h GLN 522 N 0.00 0.01 0.00 -3.83 1.08 -1.99 -0.17 115.11 110.21 1ya4 h GLN 522 Ca 0.00 -0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 1ya4 h GLN 522 Cb 0.00 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.42 1ya4 h GLN 522 CO 0.00 0.27 -0.13 0.87 -0.95 0.00 0.00 178.83 178.88 1ya4 h LYS 523 N 0.01 0.00 -5.25 1.46 6.56 -1.94 -3.47 116.57 113.95 1ya4 h LYS 523 Ca -0.00 0.00 -0.26 0.00 -1.06 0.00 0.00 60.65 59.33 1ya4 h LYS 523 Cb 0.45 0.00 0.17 0.00 -0.57 0.00 0.00 32.23 32.28 1ya4 h LYS 523 CO 0.03 0.13 -0.73 0.39 -2.06 0.00 0.00 179.45 177.21 1ya4 n GLU 524 N -3.35 -3.99 -3.11 3.15 1.02 -0.08 -3.98 120.64 110.31 1ya4 n GLU 524 Ca -0.00 0.77 -0.39 0.00 -0.02 0.00 0.00 57.16 57.52 1ya4 n GLU 524 Cb 0.34 -5.47 -0.06 0.00 -0.02 0.00 0.00 31.44 26.23 1ya4 n GLU 524 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1ya4 s GLY 525 N -3.79 2.76 0.12 0.62 0.00 -1.25 -0.22 107.32 105.56 1ya4 s GLY 525 Ca 0.21 0.19 0.01 0.00 0.00 0.00 0.00 44.72 45.13 1ya4 s GLY 525 CO 0.66 0.78 0.05 1.58 0.00 0.00 0.00 173.10 176.17 1ya4 n TYR 526 N 2.12 0.00 -4.02 1.90 0.18 -0.68 -3.85 117.16 112.81 1ya4 n TYR 526 Ca -0.06 -0.79 -0.27 0.00 1.88 0.00 0.00 57.90 58.65 1ya4 n TYR 526 Cb 0.50 0.01 -0.17 0.00 -0.38 0.00 0.00 39.34 39.30 1ya4 n TYR 526 CO 0.00 0.00 0.00 -1.17 -2.08 0.00 0.00 176.86 173.61 1ya4 s LEU 527 N 0.00 1.31 -0.06 -3.48 2.96 -0.88 -1.97 118.68 116.57 1ya4 s LEU 527 Ca 0.07 -0.33 -0.24 0.00 -0.22 0.00 0.00 54.13 53.41 1ya4 s LEU 527 Cb 0.00 -0.89 -0.04 0.00 0.50 0.00 0.00 46.19 45.77 1ya4 s LEU 527 CO 0.05 -0.09 0.73 -1.10 -1.32 0.00 0.00 176.35 174.62 1ya4 s GLN 528 N 1.53 4.45 -0.02 1.98 -0.21 -1.08 -0.33 119.66 125.98 1ya4 s GLN 528 Ca 0.02 0.94 0.06 0.00 0.02 0.00 0.00 55.36 56.40 1ya4 s GLN 528 Cb -0.13 -3.45 -0.02 0.00 1.00 0.00 0.00 33.01 30.41 1ya4 s GLN 528 CO -0.07 0.05 -0.21 0.42 -2.12 0.00 0.00 175.29 173.36 1ya4 s ILE 529 N 0.84 2.53 -5.00 1.08 1.01 0.23 -2.79 121.20 119.10 1ya4 s ILE 529 Ca 0.39 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 60.04 1ya4 s ILE 529 Cb -0.18 -1.96 0.00 0.00 0.01 0.00 0.00 42.46 40.33 1ya4 s ILE 529 CO 0.19 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.28 1ya4 n GLY 530 N 2.22 0.25 0.31 6.18 0.00 -1.26 -1.40 105.19 111.49 1ya4 n GLY 530 Ca -0.17 -1.48 0.16 0.00 0.00 0.00 0.00 46.02 44.53 1ya4 n GLY 530 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ya4 n ALA 531 N -0.51 0.52 -4.00 4.61 0.00 -1.26 -3.09 120.51 116.78 1ya4 n ALA 531 Ca 0.00 0.95 -0.32 0.00 0.00 0.00 0.00 53.44 54.07 1ya4 n ALA 531 Cb 0.00 -0.73 -0.15 0.00 0.00 0.00 0.00 19.45 18.57 1ya4 n ALA 531 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1ya4 s ASN 532 N -4.94 4.66 -0.48 0.00 0.01 -1.26 -5.08 114.94 107.84 1ya4 s ASN 532 Ca -0.11 -1.73 -0.16 0.00 -0.71 0.00 0.00 52.86 50.15 1ya4 s ASN 532 Cb 0.27 -1.61 0.08 0.00 0.41 0.00 0.00 41.25 40.39 1ya4 s ASN 532 CO 0.70 -0.29 0.41 -0.89 -1.51 0.00 0.00 177.10 175.51 1ya4 s THR 533 N 1.03 5.23 -0.01 1.60 2.01 -1.18 -4.64 115.64 119.69 1ya4 s THR 533 Ca 0.00 -1.09 -0.07 0.00 0.31 0.00 0.00 61.69 60.85 1ya4 s THR 533 Cb -0.20 -4.15 0.00 0.00 0.01 0.00 0.00 72.50 68.17 1ya4 s THR 533 CO -0.06 -0.60 0.13 0.00 -0.69 0.00 0.00 174.62 173.40 1ya4 s GLN 534 N 1.66 0.41 1.09 4.92 0.00 -1.12 -4.92 119.66 121.70 1ya4 s GLN 534 Ca 0.04 -0.29 -0.12 0.00 -0.00 0.00 0.00 55.36 54.99 1ya4 s GLN 534 Cb -0.25 0.17 0.24 0.00 0.00 0.00 0.00 33.01 33.18 1ya4 s GLN 534 CO 0.06 -0.09 1.06 0.00 0.00 0.00 0.00 175.29 176.32 1ya4 s ALA 535 N -1.09 0.14 0.00 2.60 0.00 -1.26 -2.62 121.76 119.53 1ya4 s ALA 535 Ca -0.12 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.75 1ya4 s ALA 535 Cb -0.06 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1ya4 s ALA 535 CO 0.01 -3.44 0.00 0.00 0.00 0.00 0.00 175.76 172.34 1ya4 n ALA 536 N -4.63 0.00 -2.31 0.00 0.00 -0.83 -4.81 120.51 107.93 1ya4 n ALA 536 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.39 1ya4 n ALA 536 Cb 0.55 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.91 1ya4 n ALA 536 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ya4 s GLN 537 N -1.56 0.94 -0.94 0.00 -0.21 -1.26 -1.69 119.66 114.93 1ya4 s GLN 537 Ca 0.00 -1.31 -0.14 0.00 0.02 0.00 0.00 55.36 53.93 1ya4 s GLN 537 Cb 0.00 0.28 0.02 0.00 1.00 0.00 0.00 33.01 34.31 1ya4 s GLN 537 CO 0.00 -0.28 0.60 1.63 -2.12 0.00 0.00 175.29 175.12 1ya4 n LYS 538 N -0.09 -0.95 -1.71 2.91 5.02 0.69 -4.83 118.16 119.19 1ya4 n LYS 538 Ca -0.08 0.42 -0.42 0.00 -2.02 0.00 0.00 58.31 56.21 1ya4 n LYS 538 Cb 0.63 -2.16 -0.03 0.00 -0.02 0.00 0.00 35.03 33.45 1ya4 n LYS 538 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1ya4 n LEU 539 N -3.52 4.03 0.00 -0.35 7.94 -1.26 -2.22 117.00 121.62 1ya4 n LEU 539 Ca -0.23 1.03 0.00 0.00 -1.11 0.00 0.00 56.01 55.70 1ya4 n LEU 539 Cb 0.61 -1.57 0.00 0.00 0.53 0.00 0.00 43.42 42.99 1ya4 n LEU 539 CO 0.65 0.19 0.00 0.29 -1.11 0.00 0.00 177.39 177.41 1ya4 n LYS 540 N 4.67 -1.39 -0.32 1.96 4.76 -1.26 -4.79 118.16 121.80 1ya4 n LYS 540 Ca 0.17 0.23 0.20 0.00 -2.87 0.00 0.00 58.31 56.03 1ya4 n LYS 540 Cb 0.36 -3.87 0.37 0.00 -1.84 0.00 0.00 35.03 30.05 1ya4 n LYS 540 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1ya4 n ASP 541 N 0.27 0.05 -0.23 4.39 -0.08 -0.94 0.55 116.55 120.55 1ya4 n ASP 541 Ca 0.00 1.58 -0.07 0.00 -1.51 0.00 0.00 54.79 54.78 1ya4 n ASP 541 Cb 0.23 -0.64 0.06 0.00 2.34 0.00 0.00 41.12 43.10 1ya4 n ASP 541 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1ya4 h LYS 542 N 0.00 1.09 -0.15 -0.67 3.64 -1.87 -2.75 116.57 115.86 1ya4 h LYS 542 Ca 0.65 -0.29 -0.13 0.00 -1.27 0.00 0.00 60.65 59.61 1ya4 h LYS 542 Cb 1.51 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 1ya4 h LYS 542 CO -0.82 1.00 -0.41 0.93 -2.27 0.00 0.00 179.45 177.87 1ya4 h GLU 543 N 1.02 0.55 -0.32 1.90 3.07 -0.28 -2.09 114.58 118.43 1ya4 h GLU 543 Ca 0.20 -0.39 0.07 0.00 -0.50 0.00 0.00 59.36 58.74 1ya4 h GLU 543 Cb 0.44 0.06 -0.07 0.00 -0.84 0.00 0.00 28.75 28.34 1ya4 h GLU 543 CO 0.01 1.00 -0.16 0.28 -1.40 0.00 0.00 179.01 178.75 1ya4 h VAL 544 N 0.18 0.51 -0.46 3.13 2.07 -1.12 -1.13 116.25 119.44 1ya4 h VAL 544 Ca -0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.55 1ya4 h VAL 544 Cb 1.03 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 1ya4 h VAL 544 CO 0.09 0.00 0.23 0.00 0.02 0.00 0.00 177.57 177.91 1ya4 h ALA 545 N 1.12 0.58 0.82 1.67 0.00 -1.48 -1.36 119.26 120.60 1ya4 h ALA 545 Ca 0.16 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1ya4 h ALA 545 Cb 0.36 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.10 1ya4 h ALA 545 CO -0.39 -0.12 -0.39 0.35 0.00 0.00 0.00 179.25 178.69 1ya4 h PHE 546 N 0.46 -1.02 -0.34 0.00 3.57 -0.62 -3.17 116.94 115.83 1ya4 h PHE 546 Ca 0.20 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 1ya4 h PHE 546 Cb 0.11 0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 1ya4 h PHE 546 CO -0.10 -0.62 0.16 -1.49 -2.23 0.00 0.00 178.31 174.03 1ya4 h TRP 547 N -1.18 0.45 -0.83 0.41 4.06 -1.26 -2.03 115.95 115.57 1ya4 h TRP 547 Ca -0.11 -0.00 0.08 0.00 2.06 0.00 0.00 58.89 60.92 1ya4 h TRP 547 Cb 0.85 -0.15 -0.07 0.00 -1.00 0.00 0.00 29.16 28.80 1ya4 h TRP 547 CO -0.01 0.34 0.49 1.15 -3.56 0.00 0.00 178.44 176.85 1ya4 h THR 548 N 0.46 0.96 0.05 1.49 2.02 -1.23 -0.77 112.91 115.89 1ya4 h THR 548 Ca 0.12 -0.29 -0.07 0.00 0.77 0.00 0.00 66.41 66.94 1ya4 h THR 548 Cb 0.05 0.03 0.01 0.00 -1.74 0.00 0.00 68.15 66.50 1ya4 h THR 548 CO -0.02 0.15 -0.31 0.78 0.37 0.00 0.00 175.52 176.50 1ya4 h ASN 549 N 0.85 0.19 -0.81 4.18 2.35 -1.44 -2.64 115.58 118.26 1ya4 h ASN 549 Ca 0.39 -0.94 0.20 0.00 -0.55 0.00 0.00 56.30 55.39 1ya4 h ASN 549 Cb 0.29 -0.06 -0.13 0.00 0.05 0.00 0.00 38.32 38.48 1ya4 h ASN 549 CO -0.22 1.12 0.19 0.25 -1.65 0.00 0.00 177.43 177.12 1ya4 h LEU 550 N -0.70 -0.03 -1.00 1.61 5.85 -1.20 0.74 115.31 120.58 1ya4 h LEU 550 Ca -0.05 0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 1ya4 h LEU 550 Cb 1.21 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.47 1ya4 h LEU 550 CO 0.06 -0.10 -0.38 -0.26 -0.34 0.00 0.00 178.44 177.41 1ya4 h PHE 551 N 0.23 0.00 0.00 1.25 0.05 -1.22 -0.48 116.94 116.77 1ya4 h PHE 551 Ca 0.48 0.00 0.00 0.00 3.82 0.00 0.00 57.97 62.27 1ya4 h PHE 551 Cb 0.90 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.85 1ya4 h PHE 551 CO -0.28 0.38 0.00 0.00 -0.18 0.00 0.00 178.31 178.23 1ya4 n ALA 552 N -2.32 2.13 -0.76 2.45 0.00 0.25 -5.10 120.51 117.15 1ya4 n ALA 552 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1ya4 n ALA 552 Cb 0.49 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.62 1ya4 n ALA 552 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13