#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4yas s PHE 3 N 0.00 3.15 0.25 0.00 0.08 -1.26 -4.72 117.98 115.48 4yas s PHE 3 Ca 0.00 0.13 0.01 0.00 0.12 0.00 0.00 56.93 57.19 4yas s PHE 3 Cb 0.00 -1.70 -0.05 0.00 -0.57 0.00 0.00 43.02 40.70 4yas s PHE 3 CO 0.00 0.49 0.09 0.00 -0.10 0.00 0.00 175.22 175.70 4yas s ALA 4 N -1.12 1.72 -0.38 5.36 0.00 -1.26 -5.02 121.76 121.05 4yas s ALA 4 Ca 0.20 -1.86 -0.08 0.00 0.00 0.00 0.00 51.96 50.23 4yas s ALA 4 Cb -0.12 1.00 0.06 0.00 0.00 0.00 0.00 23.12 24.07 4yas s ALA 4 CO 0.11 -0.44 0.19 -1.58 0.00 0.00 0.00 175.76 174.04 4yas s HIS 5 N -3.74 3.31 0.01 0.00 2.46 -1.26 -1.71 115.29 114.36 4yas s HIS 5 Ca 0.37 -1.49 -0.22 0.00 0.47 0.00 0.00 55.06 54.19 4yas s HIS 5 Cb 0.08 -2.65 -0.05 0.00 -0.13 0.00 0.00 32.58 29.82 4yas s HIS 5 CO 0.13 -0.79 0.64 -0.06 -2.47 0.00 0.00 174.74 172.20 4yas s PHE 6 N 1.41 3.69 -0.27 3.88 0.08 -0.36 -1.12 117.98 125.29 4yas s PHE 6 Ca 0.01 1.27 0.01 0.00 0.12 0.00 0.00 56.93 58.35 4yas s PHE 6 Cb -0.21 -2.67 0.05 0.00 -0.57 0.00 0.00 43.02 39.62 4yas s PHE 6 CO 0.02 0.32 -0.07 0.08 -0.10 0.00 0.00 175.22 175.47 4yas s VAL 7 N -0.12 2.52 -0.11 -0.44 1.01 -0.30 -1.01 120.40 121.94 4yas s VAL 7 Ca 0.33 -1.45 -0.17 0.00 0.00 0.00 0.00 61.98 60.69 4yas s VAL 7 Cb -0.19 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 4yas s VAL 7 CO 0.19 -0.00 0.43 -0.76 0.00 0.00 0.00 175.10 174.96 4yas s LEU 8 N 1.19 4.29 -0.20 3.92 1.43 -0.09 -1.19 118.68 128.03 4yas s LEU 8 Ca -0.06 0.77 0.01 0.00 -1.03 0.00 0.00 54.13 53.82 4yas s LEU 8 Cb -0.19 -2.62 0.05 0.00 0.03 0.00 0.00 46.19 43.45 4yas s LEU 8 CO -0.04 0.05 -0.08 -0.63 0.23 0.00 0.00 176.35 175.88 4yas s ILE 9 N 0.41 1.50 1.06 -0.59 1.01 0.53 -2.94 121.20 122.18 4yas s ILE 9 Ca 0.24 -0.96 -0.15 0.00 0.00 0.00 0.00 60.65 59.78 4yas s ILE 9 Cb -0.15 -1.63 0.22 0.00 0.01 0.00 0.00 42.46 40.91 4yas s ILE 9 CO 0.09 0.11 1.11 -1.38 0.00 0.00 0.00 174.94 174.88 4yas s HIS 10 N 1.45 1.59 0.58 3.97 -3.43 -1.26 -2.30 115.29 115.89 4yas s HIS 10 Ca -0.02 0.78 0.02 0.00 -0.80 0.00 0.00 55.06 55.04 4yas s HIS 10 Cb -0.16 -3.37 0.06 0.00 -1.43 0.00 0.00 32.58 27.67 4yas s HIS 10 CO -0.08 -3.19 0.81 -0.08 -2.00 0.00 0.00 174.74 170.21 4yas s THR 11 N -3.04 2.52 0.63 -5.38 -1.32 -1.25 -4.24 115.64 103.57 4yas s THR 11 Ca 0.67 -0.70 -0.18 0.00 -1.21 0.00 0.00 61.69 60.27 4yas s THR 11 Cb -0.15 -2.82 -0.02 0.00 -1.51 0.00 0.00 72.50 68.00 4yas s THR 11 CO 0.57 0.00 1.29 0.27 -2.21 0.00 0.00 174.62 174.53 4yas s ILE 12 N -2.81 2.12 0.00 5.08 -4.36 -1.26 -2.30 121.20 117.67 4yas s ILE 12 Ca 0.60 0.08 0.00 0.00 -0.26 0.00 0.00 60.65 61.06 4yas s ILE 12 Cb -0.09 -3.03 0.00 0.00 1.25 0.00 0.00 42.46 40.59 4yas s ILE 12 CO 0.39 -0.02 0.00 0.00 0.24 0.00 0.00 174.94 175.56 4yas n HIS 14 N -2.03 -0.64 -3.66 0.00 8.25 -0.97 -1.72 115.22 114.44 4yas n HIS 14 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.39 4yas n HIS 14 Cb 0.01 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.13 4yas n HIS 14 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 4yas n GLY 15 N 5.00 1.83 0.48 -1.41 0.00 -1.26 -2.91 105.19 106.92 4yas n GLY 15 Ca 0.00 -1.32 0.30 0.00 0.00 0.00 0.00 46.02 45.00 4yas n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4yas h ALA 16 N 1.92 2.89 -0.50 4.61 0.00 -1.85 -2.42 119.26 123.90 4yas h ALA 16 Ca -0.20 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 54.83 4yas h ALA 16 Cb 0.78 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 4yas h ALA 16 CO 0.26 -1.18 0.47 0.11 0.00 0.00 0.00 179.25 178.90 4yas h TRP 17 N 0.04 0.00 0.00 0.00 5.08 -1.93 -0.63 115.95 118.51 4yas h TRP 17 Ca 0.49 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.45 4yas h TRP 17 Cb 1.88 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 28.04 4yas h TRP 17 CO -0.00 0.00 -0.04 0.97 -1.28 0.00 0.00 178.44 178.09 4yas h ILE 18 N 0.00 0.23 -0.46 0.12 6.09 -1.86 -1.80 117.51 119.84 4yas h ILE 18 Ca 0.24 -0.26 0.00 0.00 -1.37 0.00 0.00 64.86 63.47 4yas h ILE 18 Cb 1.17 1.20 0.00 0.00 0.47 0.00 0.00 36.82 39.66 4yas h ILE 18 CO -0.00 0.03 0.00 0.79 -3.07 0.00 0.00 178.15 175.90 4yas n TRP 19 N -3.35 1.09 0.31 2.19 7.02 -0.24 -4.53 117.44 119.92 4yas n TRP 19 Ca -0.02 -0.43 0.17 0.00 -1.02 0.00 0.00 57.50 56.20 4yas n TRP 19 Cb 0.17 -0.20 0.74 0.00 -2.42 0.00 0.00 31.31 29.60 4yas n TRP 19 CO 0.00 0.00 0.00 1.12 -2.02 0.00 0.00 177.69 176.79 4yas h HIS 20 N 2.89 0.00 0.07 -5.99 2.07 -1.47 -1.50 115.15 111.22 4yas h HIS 20 Ca 0.00 0.00 -0.36 0.00 -2.85 0.00 0.00 60.37 57.16 4yas h HIS 20 Cb 1.13 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 31.07 4yas h HIS 20 CO 0.56 0.00 -2.10 1.63 -3.07 0.00 0.00 177.93 174.96 4yas n LYS 21 N -2.79 0.72 0.03 5.12 5.02 -1.26 -4.51 118.16 120.49 4yas n LYS 21 Ca -0.00 0.23 -0.15 0.00 -2.02 0.00 0.00 58.31 56.37 4yas n LYS 21 Cb 0.21 -1.67 -0.05 0.00 -0.02 0.00 0.00 35.03 33.50 4yas n LYS 21 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 4yas h LEU 22 N 0.04 0.72 -0.07 -0.35 5.85 -1.63 -3.26 115.31 116.61 4yas h LEU 22 Ca -0.45 -0.52 -0.00 0.00 0.84 0.00 0.00 57.88 57.75 4yas h LEU 22 Cb 2.01 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.82 4yas h LEU 22 CO 0.04 1.30 0.04 0.50 -0.34 0.00 0.00 178.44 179.99 4yas h LYS 23 N 0.36 0.09 -0.24 1.25 3.64 -1.52 -1.42 116.57 118.73 4yas h LYS 23 Ca -0.07 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 4yas h LYS 23 Cb 1.49 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.28 4yas h LYS 23 CO 0.16 0.12 0.14 -1.00 -2.27 0.00 0.00 179.45 176.60 4yas h PRO 24 N 0.04 0.32 -0.30 1.90 0.13 -1.79 -1.92 132.00 130.39 4yas h PRO 24 Ca 0.02 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 65.04 4yas h PRO 24 Cb 0.05 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.10 4yas h PRO 24 CO -0.00 0.23 -0.17 1.25 -0.23 0.00 0.00 178.00 179.08 4yas h LEU 25 N 0.33 0.67 -0.68 1.56 6.46 -1.47 -0.46 115.31 121.72 4yas h LEU 25 Ca 0.09 -0.42 -0.09 0.00 -0.12 0.00 0.00 57.88 57.34 4yas h LEU 25 Cb -0.01 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 39.71 4yas h LEU 25 CO -0.02 0.94 0.07 -0.07 -0.62 0.00 0.00 178.44 178.74 4yas h LEU 26 N 0.40 1.06 -1.40 2.25 3.38 -1.13 -2.23 115.31 117.63 4yas h LEU 26 Ca 0.06 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 4yas h LEU 26 Cb 0.70 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 4yas h LEU 26 CO 0.05 1.07 0.16 -0.33 0.09 0.00 0.00 178.44 179.48 4yas h GLU 27 N 1.02 0.57 0.00 1.13 5.08 -1.20 -1.67 114.58 119.50 4yas h GLU 27 Ca 0.19 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 4yas h GLU 27 Cb 0.48 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.63 4yas h GLU 27 CO 0.02 0.47 0.00 0.00 -1.00 0.00 0.00 179.01 178.50 4yas n ALA 28 N -2.47 1.65 1.29 3.43 0.00 -0.19 -1.29 120.51 122.93 4yas n ALA 28 Ca 0.03 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.65 4yas n ALA 28 Cb 0.14 -1.35 0.36 0.00 0.00 0.00 0.00 19.45 18.60 4yas n ALA 28 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 4yas n LEU 29 N -2.08 1.57 0.00 0.00 4.77 -0.67 -4.96 117.00 115.64 4yas n LEU 29 Ca 0.02 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 4yas n LEU 29 Cb 0.21 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 4yas n LEU 29 CO 0.18 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 4yas n GLY 30 N 1.28 0.78 3.89 -0.72 0.00 -0.41 -4.96 105.19 105.06 4yas n GLY 30 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 4yas n GLY 30 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 4yas s HIS 31 N -2.00 3.55 -0.02 1.61 3.76 -0.97 -4.78 115.29 116.43 4yas s HIS 31 Ca 0.00 1.00 -0.14 0.00 -0.15 0.00 0.00 55.06 55.76 4yas s HIS 31 Cb 0.00 -2.44 -0.05 0.00 1.11 0.00 0.00 32.58 31.19 4yas s HIS 31 CO 0.00 -0.31 0.39 0.21 -0.85 0.00 0.00 174.74 174.18 4yas s LYS 32 N -4.55 3.93 -0.06 1.40 2.47 -0.70 -4.25 119.74 117.98 4yas s LYS 32 Ca 0.50 0.36 0.02 0.00 -1.56 0.00 0.00 55.97 55.30 4yas s LYS 32 Cb -0.10 -3.24 0.02 0.00 -1.46 0.00 0.00 37.83 33.04 4yas s LYS 32 CO 0.42 0.64 -0.09 0.08 0.16 0.00 0.00 175.35 176.57 4yas s VAL 33 N -0.90 0.85 -0.17 4.02 1.01 -1.26 -1.23 120.40 122.72 4yas s VAL 33 Ca 0.23 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.89 4yas s VAL 33 Cb -0.16 -0.81 -0.00 0.00 0.00 0.00 0.00 36.38 35.41 4yas s VAL 33 CO 0.12 0.29 -0.13 -0.89 0.00 0.00 0.00 175.10 174.49 4yas s THR 34 N 0.78 2.80 -0.31 3.92 2.01 -0.18 -4.98 115.64 119.67 4yas s THR 34 Ca -0.13 -0.71 -0.01 0.00 0.31 0.00 0.00 61.69 61.14 4yas s THR 34 Cb -0.15 -2.21 0.06 0.00 0.01 0.00 0.00 72.50 70.21 4yas s THR 34 CO 0.02 0.50 0.02 0.00 -0.69 0.00 0.00 174.62 174.46 4yas s ALA 35 N 0.97 2.84 0.36 7.40 0.00 -1.26 -0.91 121.76 131.16 4yas s ALA 35 Ca -0.02 -1.89 -0.11 0.00 0.00 0.00 0.00 51.96 49.94 4yas s ALA 35 Cb -0.15 -1.96 -0.07 0.00 0.00 0.00 0.00 23.12 20.94 4yas s ALA 35 CO -0.02 -1.35 0.73 -0.51 0.00 0.00 0.00 175.76 174.62 4yas s LEU 36 N 1.21 3.93 -0.19 0.00 1.43 -1.15 -4.78 118.68 119.12 4yas s LEU 36 Ca -0.03 1.13 -0.09 0.00 -1.03 0.00 0.00 54.13 54.11 4yas s LEU 36 Cb -0.20 -3.98 -0.05 0.00 0.03 0.00 0.00 46.19 41.99 4yas s LEU 36 CO -0.02 -0.31 0.11 -1.81 0.23 0.00 0.00 176.35 174.55 4yas s ASP 37 N -2.87 6.06 0.88 2.29 1.01 -1.26 -3.29 116.67 119.48 4yas s ASP 37 Ca 0.51 0.20 -0.09 0.00 0.71 0.00 0.00 52.55 53.88 4yas s ASP 37 Cb -0.10 -2.06 0.19 0.00 1.01 0.00 0.00 42.92 41.96 4yas s ASP 37 CO 0.27 0.18 1.20 -0.76 0.21 0.00 0.00 175.17 176.27 4yas s LEU 38 N 0.34 2.84 0.26 1.23 1.43 -1.26 -4.73 118.68 118.79 4yas s LEU 38 Ca 0.07 -0.16 -0.31 0.00 -1.03 0.00 0.00 54.13 52.71 4yas s LEU 38 Cb -0.11 -1.93 -0.12 0.00 0.03 0.00 0.00 46.19 44.06 4yas s LEU 38 CO -0.01 -2.46 1.58 0.00 0.23 0.00 0.00 176.35 175.68 4yas n ALA 39 N -3.40 2.26 -2.72 4.21 0.00 -0.69 -2.42 120.51 117.76 4yas n ALA 39 Ca 0.17 0.39 -0.19 0.00 0.00 0.00 0.00 53.44 53.81 4yas n ALA 39 Cb 0.60 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.62 4yas n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 4yas n ALA 40 N 2.43 -0.83 -2.60 0.00 0.00 -1.26 -4.94 120.51 113.31 4yas n ALA 40 Ca 0.11 0.16 -0.19 0.00 0.00 0.00 0.00 53.44 53.52 4yas n ALA 40 Cb 0.35 -2.47 -0.12 0.00 0.00 0.00 0.00 19.45 17.21 4yas n ALA 40 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 4yas s SER 41 N -2.31 1.91 1.54 0.00 0.01 -1.01 -4.66 113.70 109.18 4yas s SER 41 Ca 0.14 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.69 4yas s SER 41 Cb -0.07 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.10 4yas s SER 41 CO 0.17 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.34 4yas n GLY 42 N 0.95 3.75 1.44 3.44 0.00 -1.15 -1.42 105.19 112.21 4yas n GLY 42 Ca -0.19 0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.03 4yas n GLY 42 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 4yas n VAL 43 N 0.00 2.57 -1.87 1.61 0.24 -1.26 -4.98 118.33 114.64 4yas n VAL 43 Ca 0.00 -1.68 -0.41 0.00 -2.04 0.00 0.00 64.34 60.21 4yas n VAL 43 Cb 0.00 -0.28 -0.01 0.00 -1.47 0.00 0.00 33.84 32.08 4yas n VAL 43 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 4yas s ASP 44 N -1.37 6.47 0.34 -1.34 2.15 -0.51 -4.93 116.67 117.48 4yas s ASP 44 Ca 0.49 2.89 0.27 0.00 0.43 0.00 0.00 52.55 56.63 4yas s ASP 44 Cb 0.39 -2.64 0.99 0.00 -0.30 0.00 0.00 42.92 41.36 4yas s ASP 44 CO 0.12 -0.82 1.79 1.55 -0.17 0.00 0.00 175.17 177.64 4yas h PRO 45 N 4.18 0.00 -7.13 4.34 0.13 -1.93 -3.41 132.00 128.17 4yas h PRO 45 Ca -0.48 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.17 4yas h PRO 45 Cb 1.23 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.39 4yas h PRO 45 CO 0.73 0.00 0.38 1.03 -0.23 0.00 0.00 178.00 179.91 4yas s ARG 46 N -3.36 3.65 0.20 0.86 0.52 -1.26 -5.02 118.95 114.54 4yas s ARG 46 Ca 0.05 1.24 0.05 0.00 -0.52 0.00 0.00 55.73 56.54 4yas s ARG 46 Cb 0.09 -2.08 -0.03 0.00 0.52 0.00 0.00 34.95 33.45 4yas s ARG 46 CO 0.50 -0.54 0.25 -0.65 0.02 0.00 0.00 175.30 174.88 4yas s GLN 47 N -3.66 3.20 0.54 3.54 -1.52 -1.26 -4.04 119.66 116.46 4yas s GLN 47 Ca 0.65 -0.81 0.26 0.00 -1.95 0.00 0.00 55.36 53.51 4yas s GLN 47 Cb -0.15 -2.78 1.55 0.00 -0.22 0.00 0.00 33.01 31.40 4yas s GLN 47 CO 0.28 0.46 2.15 0.97 -0.25 0.00 0.00 175.29 178.90 4yas h ILE 48 N 1.57 0.65 0.00 1.08 6.09 -1.83 -2.28 117.51 122.80 4yas h ILE 48 Ca -0.49 -0.27 0.00 0.00 -1.37 0.00 0.00 64.86 62.72 4yas h ILE 48 Cb 1.22 1.17 0.00 0.00 0.47 0.00 0.00 36.82 39.67 4yas h ILE 48 CO 0.64 0.07 0.00 -0.62 -3.07 0.00 0.00 178.15 175.16 4yas n GLU 49 N -3.88 0.17 0.01 2.19 4.71 -1.26 -1.02 120.64 121.55 4yas n GLU 49 Ca -0.02 0.47 0.13 0.00 -0.01 0.00 0.00 57.16 57.72 4yas n GLU 49 Cb 0.16 -1.86 0.42 0.00 -1.01 0.00 0.00 31.44 29.15 4yas n GLU 49 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 4yas n GLU 50 N -2.19 0.03 -3.66 3.49 1.02 -0.86 -4.78 120.64 113.69 4yas n GLU 50 Ca 0.01 0.02 -0.37 0.00 -0.02 0.00 0.00 57.16 56.80 4yas n GLU 50 Cb 0.17 -1.53 -0.10 0.00 -0.02 0.00 0.00 31.44 29.97 4yas n GLU 50 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 4yas s ILE 51 N -3.02 5.31 -0.95 -3.67 -1.09 -0.19 -4.99 121.20 112.61 4yas s ILE 51 Ca 0.12 0.17 0.17 0.00 -2.23 0.00 0.00 60.65 58.88 4yas s ILE 51 Cb 0.18 -3.48 -0.16 0.00 -1.58 0.00 0.00 42.46 37.41 4yas s ILE 51 CO 0.62 0.34 0.77 0.61 -1.23 0.00 0.00 174.94 176.04 4yas n GLY 52 N 4.38 -0.54 3.71 6.18 0.00 -1.26 -4.92 105.19 112.74 4yas n GLY 52 Ca -0.15 -0.50 -0.08 0.00 0.00 0.00 0.00 46.02 45.29 4yas n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 4yas s SER 53 N -2.56 -0.24 0.33 1.61 1.04 -1.26 -4.99 113.70 107.64 4yas s SER 53 Ca 0.08 -0.63 0.15 0.00 0.48 0.00 0.00 55.95 56.02 4yas s SER 53 Cb 0.13 0.66 0.56 0.00 0.10 0.00 0.00 66.02 67.47 4yas s SER 53 CO 0.67 -1.22 1.70 0.15 0.98 0.00 0.00 173.24 175.52 4yas h PHE 54 N 2.10 0.00 -0.38 5.02 3.04 -1.93 -1.46 116.94 123.33 4yas h PHE 54 Ca -0.23 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.65 4yas h PHE 54 Cb 1.26 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.75 4yas h PHE 54 CO 0.40 0.48 -0.03 -0.44 -2.02 0.00 0.00 178.31 176.69 4yas h ASP 55 N 0.00 0.68 -0.44 0.41 5.19 -1.97 -1.37 116.42 118.92 4yas h ASP 55 Ca -0.00 -0.33 -0.09 0.00 -0.62 0.00 0.00 57.03 55.99 4yas h ASP 55 Cb 0.94 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 40.24 4yas h ASP 55 CO 0.06 0.85 -0.04 -0.08 -3.12 0.00 0.00 179.24 176.91 4yas h GLU 56 N 0.50 0.87 -0.68 3.56 4.81 -1.92 -2.40 114.58 119.32 4yas h GLU 56 Ca 0.10 -0.26 0.01 0.00 -0.13 0.00 0.00 59.36 59.08 4yas h GLU 56 Cb 0.51 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 4yas h GLU 56 CO 0.03 0.89 0.45 -0.92 -0.73 0.00 0.00 179.01 178.72 4yas h TYR 57 N 0.80 0.84 0.00 0.92 3.20 -1.11 -2.05 116.97 119.57 4yas h TYR 57 Ca 0.14 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.03 4yas h TYR 57 Cb 0.53 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.51 4yas h TYR 57 CO 0.03 0.52 0.00 0.43 -1.64 0.00 0.00 178.16 177.50 4yas n SER 58 N -4.44 0.00 -0.16 -2.11 7.64 -0.53 -1.71 113.62 112.31 4yas n SER 58 Ca 0.07 -0.97 -0.03 0.00 1.01 0.00 0.00 58.87 58.95 4yas n SER 58 Cb 0.06 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.30 4yas n SER 58 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 4yas h GLU 59 N 0.00 0.03 -0.91 1.43 4.22 -1.21 -2.27 114.58 115.88 4yas h GLU 59 Ca 0.00 -0.00 0.16 0.00 0.08 0.00 0.00 59.36 59.60 4yas h GLU 59 Cb 0.00 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.17 4yas h GLU 59 CO 0.00 0.02 0.58 -1.35 -2.18 0.00 0.00 179.01 176.08 4yas h PRO 60 N 0.03 0.62 -0.24 0.92 0.11 -1.85 -0.29 132.00 131.30 4yas h PRO 60 Ca 0.25 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.21 4yas h PRO 60 Cb 0.38 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.35 4yas h PRO 60 CO -0.49 0.41 -0.29 1.25 -0.21 0.00 0.00 178.00 178.67 4yas h LEU 61 N 0.64 0.68 -0.64 2.35 5.85 -1.75 -1.77 115.31 120.67 4yas h LEU 61 Ca 0.47 -0.49 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 4yas h LEU 61 Cb 0.84 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 4yas h LEU 61 CO -0.22 1.03 0.14 -0.07 -0.34 0.00 0.00 178.44 178.98 4yas h LEU 62 N 0.33 0.98 -0.72 2.25 3.38 -1.09 -1.41 115.31 119.03 4yas h LEU 62 Ca 0.03 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 4yas h LEU 62 Cb 0.86 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 4yas h LEU 62 CO 0.07 0.97 0.06 0.74 0.09 0.00 0.00 178.44 180.37 4yas h THR 63 N 0.95 1.26 -0.22 0.22 2.02 -1.10 -1.58 112.91 114.45 4yas h THR 63 Ca 0.20 -1.06 -0.01 0.00 0.77 0.00 0.00 66.41 66.31 4yas h THR 63 Cb 0.38 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 4yas h THR 63 CO 0.01 0.39 0.12 0.15 0.37 0.00 0.00 175.52 176.55 4yas h PHE 64 N 0.97 0.31 -0.33 3.16 3.57 -1.10 -2.25 116.94 121.28 4yas h PHE 64 Ca 0.19 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.59 4yas h PHE 64 Cb 0.47 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 4yas h PHE 64 CO 0.03 0.29 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.18 4yas h LEU 65 N 0.24 0.58 -1.14 0.59 3.38 -1.09 -2.55 115.31 115.32 4yas h LEU 65 Ca 0.08 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 4yas h LEU 65 Cb 0.09 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 4yas h LEU 65 CO -0.01 0.75 0.33 -0.08 0.09 0.00 0.00 178.44 179.52 4yas h GLU 66 N 0.53 0.93 0.00 1.13 4.81 -1.19 -2.13 114.58 118.66 4yas h GLU 66 Ca 0.09 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 4yas h GLU 66 Cb 0.58 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.78 4yas h GLU 66 CO 0.04 0.71 0.00 0.00 -0.73 0.00 0.00 179.01 179.03 4yas n ALA 67 N -2.44 2.03 -2.23 2.92 0.00 -0.86 -4.76 120.51 115.18 4yas n ALA 67 Ca 0.06 -0.09 -0.42 0.00 0.00 0.00 0.00 53.44 53.00 4yas n ALA 67 Cb 0.12 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 4yas n ALA 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 4yas s LEU 68 N -2.79 4.33 0.49 0.00 1.43 -0.80 -5.00 118.68 116.33 4yas s LEU 68 Ca 0.15 2.14 -0.23 0.00 -1.03 0.00 0.00 54.13 55.16 4yas s LEU 68 Cb 0.14 -3.57 -0.07 0.00 0.03 0.00 0.00 46.19 42.72 4yas s LEU 68 CO 0.35 -0.69 1.29 -2.65 0.23 0.00 0.00 176.35 174.87 4yas n PRO 69 N 5.05 1.77 -1.57 1.29 -0.02 -1.26 -4.91 135.00 135.34 4yas n PRO 69 Ca 0.13 0.64 -0.51 0.00 -2.02 0.00 0.00 63.50 61.74 4yas n PRO 69 Cb 0.44 -2.45 -0.05 0.00 -0.02 0.00 0.00 33.50 31.41 4yas n PRO 69 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 4yas n PRO 70 N -0.47 1.04 0.00 0.52 -0.02 -1.26 -1.94 135.00 132.87 4yas n PRO 70 Ca 0.09 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 4yas n PRO 70 Cb 0.42 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 4yas n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 4yas n GLY 71 N 2.20 1.25 3.64 -1.23 0.00 -1.26 -5.04 105.19 104.75 4yas n GLY 71 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 4yas n GLY 71 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 4yas s GLU 72 N -0.74 4.16 0.09 1.61 2.02 -0.82 -5.06 118.70 119.96 4yas s GLU 72 Ca 0.00 0.54 0.04 0.00 0.02 0.00 0.00 54.97 55.57 4yas s GLU 72 Cb 0.00 -3.61 -0.04 0.00 0.10 0.00 0.00 34.13 30.58 4yas s GLU 72 CO 0.00 -0.30 0.03 0.15 0.02 0.00 0.00 175.26 175.17 4yas s LYS 73 N 2.11 2.68 0.22 1.61 -0.14 -1.26 -4.71 119.74 120.26 4yas s LYS 73 Ca 0.27 -0.78 0.07 0.00 -1.36 0.00 0.00 55.97 54.16 4yas s LYS 73 Cb -0.16 -2.61 -0.05 0.00 -1.68 0.00 0.00 37.83 33.33 4yas s LYS 73 CO 0.09 0.55 -0.12 0.14 -0.76 0.00 0.00 175.35 175.26 4yas s VAL 74 N -1.36 1.65 -0.25 3.17 -7.23 0.03 -4.55 120.40 111.87 4yas s VAL 74 Ca 0.27 -2.18 -0.06 0.00 -1.81 0.00 0.00 61.98 58.20 4yas s VAL 74 Cb -0.12 -2.14 -0.02 0.00 0.56 0.00 0.00 36.38 34.66 4yas s VAL 74 CO 0.20 -0.52 0.04 -0.63 -0.31 0.00 0.00 175.10 173.88 4yas s ILE 75 N -3.02 3.97 0.24 -0.62 1.01 -0.28 -0.85 121.20 121.65 4yas s ILE 75 Ca 0.24 -0.37 -0.24 0.00 0.00 0.00 0.00 60.65 60.29 4yas s ILE 75 Cb 0.01 -2.88 -0.09 0.00 0.01 0.00 0.00 42.46 39.51 4yas s ILE 75 CO 0.08 0.31 0.82 -0.76 0.00 0.00 0.00 174.94 175.39 4yas s LEU 76 N 1.55 4.42 -0.09 2.97 1.43 -0.52 -1.14 118.68 127.29 4yas s LEU 76 Ca 0.05 1.64 -0.02 0.00 -1.03 0.00 0.00 54.13 54.78 4yas s LEU 76 Cb -0.15 -3.66 0.03 0.00 0.03 0.00 0.00 46.19 42.44 4yas s LEU 76 CO 0.01 0.05 0.00 -0.69 0.23 0.00 0.00 176.35 175.95 4yas s VAL 77 N -1.45 0.42 -0.04 -1.59 1.01 -0.33 -0.84 120.40 117.59 4yas s VAL 77 Ca 0.44 0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.47 4yas s VAL 77 Cb -0.19 -0.63 -0.01 0.00 0.00 0.00 0.00 36.38 35.55 4yas s VAL 77 CO 0.24 0.19 -0.20 -0.83 0.00 0.00 0.00 175.10 174.50 4yas s GLY 78 N 1.95 1.05 -0.05 4.51 0.00 -0.46 -0.35 107.32 113.96 4yas s GLY 78 Ca 0.04 -0.85 -0.00 0.00 0.00 0.00 0.00 44.72 43.91 4yas s GLY 78 CO -0.06 -0.57 -0.01 -1.83 0.00 0.00 0.00 173.10 170.64 4yas s GLU 79 N -0.20 2.88 1.86 2.90 -1.05 -0.97 -0.79 118.70 123.32 4yas s GLU 79 Ca 0.01 -0.50 0.00 0.00 -0.15 0.00 0.00 54.97 54.32 4yas s GLU 79 Cb -0.11 -2.72 0.00 0.00 -0.44 0.00 0.00 34.13 30.86 4yas s GLU 79 CO 0.01 0.67 0.00 0.45 0.95 0.00 0.00 175.26 177.34 4yas n SER 80 N 1.85 0.00 0.06 0.83 2.88 -0.68 -1.05 113.62 117.51 4yas n SER 80 Ca -0.17 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.46 4yas n SER 80 Cb 0.53 0.00 0.37 0.00 -0.75 0.00 0.00 64.21 64.36 4yas n SER 80 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 4yas h GLY 82 N 2.16 0.46 1.49 0.00 0.00 -1.26 -1.40 103.07 104.52 4yas h GLY 82 Ca 0.00 -0.10 0.07 0.00 0.00 0.00 0.00 47.33 47.31 4yas h GLY 82 CO 0.00 -0.01 0.18 -1.33 0.00 0.00 0.00 176.54 175.39 4yas h GLY 83 N 0.21 0.00 1.41 4.60 0.00 -1.73 -1.27 103.07 106.30 4yas h GLY 83 Ca 0.43 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.55 4yas h GLY 83 CO -0.10 0.00 -0.80 1.41 0.00 0.00 0.00 176.54 177.05 4yas h LEU 84 N 0.00 0.68 -0.94 3.11 3.38 -1.49 -2.21 115.31 117.84 4yas h LEU 84 Ca 0.12 -0.47 -0.08 0.00 0.09 0.00 0.00 57.88 57.54 4yas h LEU 84 Cb 0.49 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 4yas h LEU 84 CO -0.00 1.25 -0.12 0.78 0.09 0.00 0.00 178.44 180.44 4yas h ASN 85 N 0.37 0.63 -0.51 -0.43 2.35 -1.36 -1.96 115.58 114.66 4yas h ASN 85 Ca -0.05 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.51 4yas h ASN 85 Cb 1.41 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 39.59 4yas h ASN 85 CO 0.15 0.78 0.29 0.40 -1.65 0.00 0.00 177.43 177.40 4yas h ILE 86 N 0.59 1.17 -0.67 2.81 2.04 -1.23 -1.38 117.51 120.83 4yas h ILE 86 Ca 0.10 -0.41 -0.07 0.00 1.00 0.00 0.00 64.86 65.48 4yas h ILE 86 Cb 0.54 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 4yas h ILE 86 CO 0.03 0.18 0.15 0.00 0.00 0.00 0.00 178.15 178.51 4yas h ALA 87 N 1.13 0.89 -0.32 1.87 0.00 -1.10 0.15 119.26 121.88 4yas h ALA 87 Ca 0.18 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 4yas h ALA 87 Cb 0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 4yas h ALA 87 CO -0.03 0.62 0.10 0.82 0.00 0.00 0.00 179.25 180.76 4yas h ILE 88 N 1.01 1.20 -0.56 0.00 2.04 -1.27 -2.75 117.51 117.18 4yas h ILE 88 Ca 0.21 -0.65 -0.05 0.00 1.00 0.00 0.00 64.86 65.37 4yas h ILE 88 Cb 0.38 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 4yas h ILE 88 CO 0.00 0.22 0.15 0.00 0.00 0.00 0.00 178.15 178.53 4yas h ALA 89 N 0.94 1.22 0.00 1.87 0.00 -1.04 -2.87 119.26 119.38 4yas h ALA 89 Ca 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 4yas h ALA 89 Cb 0.24 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 4yas h ALA 89 CO -0.00 0.54 -0.05 0.00 0.00 0.00 0.00 179.25 179.74 4yas h ALA 90 N 1.34 1.00 -0.00 0.00 0.00 -0.83 0.75 119.26 121.52 4yas h ALA 90 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.05 4yas h ALA 90 Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 4yas h ALA 90 CO -0.00 0.06 -0.02 -0.25 0.00 0.00 0.00 179.25 179.04 4yas n ASP 91 N -3.14 0.40 0.00 0.00 8.00 -1.05 -2.77 116.55 117.98 4yas n ASP 91 Ca 0.01 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.55 4yas n ASP 91 Cb 0.39 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 4yas n ASP 91 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 4yas n LYS 92 N -0.77 3.54 -2.69 -1.24 4.81 -0.89 -4.89 118.16 116.03 4yas n LYS 92 Ca 0.21 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.60 4yas n LYS 92 Cb 0.20 -1.00 0.04 0.00 0.02 0.00 0.00 35.03 34.29 4yas n LYS 92 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 4yas n TYR 93 N -2.06 1.52 0.26 5.64 4.01 0.21 -4.91 117.16 121.83 4yas n TYR 93 Ca 0.00 -2.18 0.11 0.00 -0.16 0.00 0.00 57.90 55.67 4yas n TYR 93 Cb 0.50 -0.25 0.74 0.00 -0.31 0.00 0.00 39.34 40.02 4yas n TYR 93 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 4yas h GLU 95 N 0.00 0.00 -0.07 0.00 9.09 -1.91 -2.63 114.58 119.07 4yas h GLU 95 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.42 4yas h GLU 95 Cb 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.16 4yas h GLU 95 CO -0.00 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.69 4yas n LYS 96 N -3.10 1.89 -3.77 1.06 5.02 -0.40 -4.84 118.16 114.02 4yas n LYS 96 Ca 0.01 -1.31 -0.37 0.00 -2.02 0.00 0.00 58.31 54.62 4yas n LYS 96 Cb 0.32 -1.46 -0.13 0.00 -0.02 0.00 0.00 35.03 33.74 4yas n LYS 96 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 4yas s ILE 97 N -1.93 3.71 0.12 -0.18 1.01 -0.99 -0.79 121.20 122.15 4yas s ILE 97 Ca 0.35 -1.09 -0.13 0.00 0.00 0.00 0.00 60.65 59.78 4yas s ILE 97 Cb 0.20 -3.07 -0.06 0.00 0.01 0.00 0.00 42.46 39.55 4yas s ILE 97 CO 0.31 -0.12 1.46 0.00 0.00 0.00 0.00 174.94 176.59 4yas h ALA 98 N 8.20 0.50 -2.40 9.38 0.00 -1.29 -3.46 119.26 130.18 4yas h ALA 98 Ca -0.24 -0.40 0.09 0.00 0.00 0.00 0.00 54.91 54.35 4yas h ALA 98 Cb 1.09 -0.11 -0.15 0.00 0.00 0.00 0.00 17.79 18.62 4yas h ALA 98 CO 0.59 0.51 0.45 0.00 0.00 0.00 0.00 179.25 180.80 4yas s ALA 99 N -4.47 -1.78 -0.07 0.00 0.00 -1.25 -4.52 121.76 109.67 4yas s ALA 99 Ca -0.12 0.92 0.04 0.00 0.00 0.00 0.00 51.96 52.80 4yas s ALA 99 Cb 0.10 0.50 0.00 0.00 0.00 0.00 0.00 23.12 23.72 4yas s ALA 99 CO 0.84 -0.70 -0.19 0.00 0.00 0.00 0.00 175.76 175.71 4yas s ALA 100 N -3.23 1.78 -0.16 0.00 0.00 0.02 -1.44 121.76 118.72 4yas s ALA 100 Ca 0.04 -0.76 -0.02 0.00 0.00 0.00 0.00 51.96 51.23 4yas s ALA 100 Cb -0.01 -0.67 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 4yas s ALA 100 CO -0.10 0.25 -0.09 0.08 0.00 0.00 0.00 175.76 175.91 4yas s VAL 101 N 0.33 3.31 -0.25 0.00 1.01 -0.02 -0.79 120.40 123.99 4yas s VAL 101 Ca -0.13 -0.55 -0.09 0.00 0.00 0.00 0.00 61.98 61.20 4yas s VAL 101 Cb -0.16 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 4yas s VAL 101 CO 0.06 0.49 0.13 -0.36 0.00 0.00 0.00 175.10 175.42 4yas s PHE 102 N 0.67 3.22 -0.40 5.22 0.40 0.18 -1.36 117.98 125.92 4yas s PHE 102 Ca -0.05 0.01 0.03 0.00 -0.60 0.00 0.00 56.93 56.33 4yas s PHE 102 Cb -0.15 -2.27 0.11 0.00 0.51 0.00 0.00 43.02 41.22 4yas s PHE 102 CO 0.02 -0.10 0.12 -1.58 0.70 0.00 0.00 175.22 174.39 4yas s HIS 103 N 1.31 3.59 -1.44 0.36 2.46 0.03 -0.29 115.29 121.32 4yas s HIS 103 Ca 0.06 -3.02 -0.05 0.00 0.47 0.00 0.00 55.06 52.52 4yas s HIS 103 Cb -0.15 -2.92 0.01 0.00 -0.13 0.00 0.00 32.58 29.39 4yas s HIS 103 CO 0.06 -0.89 0.25 0.09 -2.47 0.00 0.00 174.74 171.78 4yas n ASN 104 N 3.94 -0.37 -4.45 9.88 3.02 -0.31 -2.89 115.26 124.09 4yas n ASN 104 Ca 0.04 -1.18 -0.27 0.00 -0.03 0.00 0.00 54.58 53.14 4yas n ASN 104 Cb 0.39 -2.15 -0.11 0.00 -0.61 0.00 0.00 39.78 37.30 4yas n ASN 104 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 4yas s SER 105 N -4.23 3.57 0.44 6.41 0.15 -1.26 -1.68 113.70 117.09 4yas s SER 105 Ca 0.08 -0.84 -0.25 0.00 0.70 0.00 0.00 55.95 55.64 4yas s SER 105 Cb -0.04 -0.32 -0.08 0.00 -1.71 0.00 0.00 66.02 63.86 4yas s SER 105 CO 0.95 0.11 1.33 0.68 1.20 0.00 0.00 173.24 177.52 4yas s VAL 106 N -1.75 2.45 -0.51 4.45 -7.23 -0.50 -4.89 120.40 112.41 4yas s VAL 106 Ca 0.22 0.38 0.03 0.00 -1.81 0.00 0.00 61.98 60.81 4yas s VAL 106 Cb -0.08 -3.22 0.14 0.00 0.56 0.00 0.00 36.38 33.78 4yas s VAL 106 CO 0.11 0.04 0.28 -0.22 -0.31 0.00 0.00 175.10 175.01 4yas s LEU 107 N -2.71 3.70 0.89 1.32 2.96 -1.26 -4.21 118.68 119.37 4yas s LEU 107 Ca 0.60 -2.98 -0.10 0.00 -0.22 0.00 0.00 54.13 51.44 4yas s LEU 107 Cb -0.39 -1.39 0.13 0.00 0.50 0.00 0.00 46.19 45.05 4yas s LEU 107 CO 0.49 -0.22 1.14 -2.84 -1.32 0.00 0.00 176.35 173.60 4yas s PRO 108 N -0.19 1.18 0.00 0.98 0.02 -1.26 -4.92 135.00 130.81 4yas s PRO 108 Ca 0.19 1.51 0.00 0.00 0.02 0.00 0.00 61.00 62.72 4yas s PRO 108 Cb -0.22 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.55 4yas s PRO 108 CO -0.02 -2.51 0.00 -0.40 -0.33 0.00 0.00 177.00 173.74 4yas n ASP 109 N -4.13 1.26 -0.00 2.53 5.68 -1.26 -5.02 116.55 115.60 4yas n ASP 109 Ca 0.12 -0.88 0.04 0.00 -0.50 0.00 0.00 54.79 53.57 4yas n ASP 109 Cb 0.52 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.45 4yas n ASP 109 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 4yas n THR 110 N 0.00 0.00 0.10 2.12 -2.24 -1.26 -4.40 114.28 108.60 4yas n THR 110 Ca 0.00 -0.28 0.11 0.00 -2.27 0.00 0.00 64.05 61.61 4yas n THR 110 Cb 0.00 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 4yas n THR 110 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 4yas h GLU 111 N 0.00 0.00 -5.84 -0.78 4.39 -1.98 -3.44 114.58 106.93 4yas h GLU 111 Ca 0.00 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.10 4yas h GLU 111 Cb 0.24 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 28.78 4yas h GLU 111 CO 0.00 0.03 -0.58 -1.01 -1.16 0.00 0.00 179.01 176.29 4yas s HIS 112 N -3.32 2.55 0.83 4.33 3.76 -1.26 -5.13 115.29 117.04 4yas s HIS 112 Ca -0.00 -0.58 -0.12 0.00 -0.15 0.00 0.00 55.06 54.21 4yas s HIS 112 Cb 0.09 -1.75 0.10 0.00 1.11 0.00 0.00 32.58 32.13 4yas s HIS 112 CO 0.79 0.38 1.15 0.00 -0.85 0.00 0.00 174.74 176.20 4yas h PRO 114 N -1.26 0.00 -0.00 0.00 0.11 -1.81 -2.05 132.00 126.98 4yas h PRO 114 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 4yas h PRO 114 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 4yas h PRO 114 CO 0.46 0.00 -0.36 -1.13 -0.21 0.00 0.00 178.00 176.76 4yas n SER 115 N -3.13 0.63 -0.25 -2.05 3.41 -1.24 -4.58 113.62 106.42 4yas n SER 115 Ca -0.02 -0.44 0.01 0.00 -0.26 0.00 0.00 58.87 58.16 4yas n SER 115 Cb 0.23 0.14 0.08 0.00 -0.26 0.00 0.00 64.21 64.40 4yas n SER 115 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 4yas h TYR 116 N 0.44 -0.38 -0.05 7.33 3.20 -1.71 -0.08 116.97 125.71 4yas h TYR 116 Ca 0.00 0.06 -0.12 0.00 3.14 0.00 0.00 58.73 61.81 4yas h TYR 116 Cb 0.49 0.28 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 4yas h TYR 116 CO 0.00 -0.31 -0.53 0.28 -1.64 0.00 0.00 178.16 175.96 4yas h VAL 117 N 0.00 1.37 -0.16 1.81 2.07 -1.83 -2.08 116.25 117.43 4yas h VAL 117 Ca 0.34 -1.82 -0.16 0.00 0.82 0.00 0.00 66.70 65.89 4yas h VAL 117 Cb 0.52 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 4yas h VAL 117 CO -0.73 0.53 -0.51 0.58 0.02 0.00 0.00 177.57 177.46 4yas h VAL 118 N 0.12 1.33 -0.70 2.57 2.07 -1.52 -1.09 116.25 119.03 4yas h VAL 118 Ca 0.00 -1.77 0.03 0.00 0.82 0.00 0.00 66.70 65.78 4yas h VAL 118 Cb 0.98 2.00 -0.04 0.00 -1.52 0.00 0.00 31.29 32.70 4yas h VAL 118 CO 0.08 0.55 0.44 0.44 0.02 0.00 0.00 177.57 179.10 4yas h ASP 119 N 0.29 0.73 -0.09 0.57 3.32 -0.97 -1.06 116.42 119.21 4yas h ASP 119 Ca -0.02 -0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.94 4yas h ASP 119 Cb 1.13 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 4yas h ASP 119 CO 0.11 0.51 -0.22 0.50 -1.72 0.00 0.00 179.24 178.42 4yas h LYS 120 N 0.87 0.51 -0.77 3.56 1.63 -1.29 -2.66 116.57 118.41 4yas h LYS 120 Ca 0.28 -0.18 -0.05 0.00 -0.85 0.00 0.00 60.65 59.85 4yas h LYS 120 Cb 0.01 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.57 4yas h LYS 120 CO -0.10 0.70 0.28 1.25 -3.45 0.00 0.00 179.45 178.13 4yas h LEU 121 N 0.46 1.08 -1.57 5.20 5.85 -0.50 -2.14 115.31 123.68 4yas h LEU 121 Ca 0.07 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 4yas h LEU 121 Cb 0.63 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 4yas h LEU 121 CO 0.05 0.97 -0.07 0.24 -0.34 0.00 0.00 178.44 179.29 4yas h MET 122 N 1.13 0.00 0.10 1.25 2.86 -0.94 0.39 114.93 119.72 4yas h MET 122 Ca 0.25 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.67 4yas h MET 122 Cb 0.25 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.93 4yas h MET 122 CO -0.02 0.07 -0.92 1.49 1.06 0.00 0.00 176.91 178.59 4yas h GLU 123 N 0.00 0.44 0.00 1.72 4.81 -1.13 -3.12 114.58 117.31 4yas h GLU 123 Ca -0.00 -0.61 -0.19 0.00 -0.13 0.00 0.00 59.36 58.43 4yas h GLU 123 Cb 0.50 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.06 4yas h GLU 123 CO 0.01 1.26 -0.87 0.28 -0.73 0.00 0.00 179.01 178.95 4yas h VAL 124 N -0.07 1.59 -2.71 0.32 2.07 -1.09 -3.38 116.25 112.98 4yas h VAL 124 Ca -0.14 -2.89 -0.60 0.00 0.82 0.00 0.00 66.70 63.89 4yas h VAL 124 Cb 1.66 2.58 -0.40 0.00 -1.52 0.00 0.00 31.29 33.61 4yas h VAL 124 CO 0.18 0.83 -0.80 0.12 0.02 0.00 0.00 177.57 177.91 4yas s PHE 125 N -3.06 1.95 -0.26 1.57 5.36 0.10 -4.97 117.98 118.66 4yas s PHE 125 Ca -0.01 -2.59 0.22 0.00 -0.96 0.00 0.00 56.93 53.59 4yas s PHE 125 Cb 0.11 -1.62 0.06 0.00 -0.34 0.00 0.00 43.02 41.23 4yas s PHE 125 CO 0.81 -0.74 1.17 -1.00 -1.46 0.00 0.00 175.22 174.00 4yas h PRO 126 N 5.89 0.00 -4.50 10.12 0.13 -1.74 -3.41 132.00 138.49 4yas h PRO 126 Ca 0.16 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.58 4yas h PRO 126 Cb 0.87 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 31.74 4yas h PRO 126 CO 0.48 0.06 -0.48 0.34 -0.23 0.00 0.00 178.00 178.17 4yas s ASP 127 N -5.66 5.69 -0.27 1.44 2.15 -1.26 -4.93 116.67 113.84 4yas s ASP 127 Ca 0.01 -1.29 0.08 0.00 0.43 0.00 0.00 52.55 51.78 4yas s ASP 127 Cb 0.08 -2.01 0.61 0.00 -0.30 0.00 0.00 42.92 41.31 4yas s ASP 127 CO 0.76 -0.48 1.61 0.79 -0.17 0.00 0.00 175.17 177.68 4yas n TRP 128 N 4.96 2.03 0.00 -5.34 7.02 -1.26 -5.01 117.44 119.84 4yas n TRP 128 Ca -0.11 -1.02 0.00 0.00 -1.02 0.00 0.00 57.50 55.36 4yas n TRP 128 Cb 0.44 -0.60 0.00 0.00 -2.42 0.00 0.00 31.31 28.73 4yas n TRP 128 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 4yas n LYS 129 N -0.06 0.00 -0.18 -0.99 5.02 -1.26 -2.20 118.16 118.48 4yas n LYS 129 Ca 0.34 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.66 4yas n LYS 129 Cb 1.21 0.00 0.12 0.00 -0.02 0.00 0.00 35.03 36.33 4yas n LYS 129 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 4yas n ASP 130 N 6.44 1.69 -4.74 4.39 5.75 -1.26 -4.90 116.55 123.92 4yas n ASP 130 Ca 0.00 -2.09 -0.42 0.00 -0.01 0.00 0.00 54.79 52.27 4yas n ASP 130 Cb 0.00 -0.28 -0.02 0.00 -1.03 0.00 0.00 41.12 39.79 4yas n ASP 130 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 4yas s THR 131 N -1.65 2.24 0.14 2.12 2.01 -0.94 -4.17 115.64 115.40 4yas s THR 131 Ca 0.17 0.19 0.04 0.00 0.31 0.00 0.00 61.69 62.41 4yas s THR 131 Cb 0.10 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 4yas s THR 131 CO 0.09 0.03 0.13 0.42 -0.69 0.00 0.00 174.62 174.60 4yas s THR 132 N 0.15 4.54 0.10 -0.82 -4.23 -0.51 -4.86 115.64 110.01 4yas s THR 132 Ca 0.64 -0.99 0.06 0.00 -1.18 0.00 0.00 61.69 60.21 4yas s THR 132 Cb -0.46 -3.29 -0.03 0.00 1.34 0.00 0.00 72.50 70.05 4yas s THR 132 CO 0.45 -0.06 -0.15 -0.31 -0.54 0.00 0.00 174.62 174.02 4yas s TYR 133 N -1.67 1.34 0.26 3.99 2.02 -1.26 -1.13 117.35 120.90 4yas s TYR 133 Ca 0.31 -0.50 -0.07 0.00 -0.37 0.00 0.00 57.07 56.43 4yas s TYR 133 Cb -0.11 -0.73 -0.01 0.00 -0.40 0.00 0.00 41.96 40.71 4yas s TYR 133 CO 0.23 0.11 0.38 -0.59 -1.57 0.00 0.00 175.55 174.11 4yas s PHE 134 N -1.68 0.75 0.03 2.71 -0.71 -0.81 -4.97 117.98 113.29 4yas s PHE 134 Ca 0.04 -1.04 0.04 0.00 -1.04 0.00 0.00 56.93 54.94 4yas s PHE 134 Cb -0.08 -0.08 -0.02 0.00 -1.21 0.00 0.00 43.02 41.63 4yas s PHE 134 CO 0.03 -0.93 -0.13 0.95 -1.34 0.00 0.00 175.22 173.80 4yas s THR 135 N -3.84 1.05 0.10 -4.49 -4.23 -1.26 -0.40 115.64 102.57 4yas s THR 135 Ca 0.29 -0.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 4yas s THR 135 Cb 0.01 -0.94 -0.04 0.00 1.34 0.00 0.00 72.50 72.88 4yas s THR 135 CO 0.12 0.06 -0.01 -0.72 -0.54 0.00 0.00 174.62 173.54 4yas s TYR 136 N -0.72 0.80 -0.12 3.99 1.13 -0.57 -4.95 117.35 116.91 4yas s TYR 136 Ca 0.02 -1.07 -0.01 0.00 -1.41 0.00 0.00 57.07 54.60 4yas s TYR 136 Cb -0.07 -0.49 -0.02 0.00 -1.10 0.00 0.00 41.96 40.28 4yas s TYR 136 CO 0.01 -0.34 -0.09 0.99 -2.51 0.00 0.00 175.55 173.60 4yas s THR 137 N -3.85 3.41 -0.10 -3.49 2.01 -1.26 -0.91 115.64 111.45 4yas s THR 137 Ca 0.15 -0.55 -0.05 0.00 0.31 0.00 0.00 61.69 61.55 4yas s THR 137 Cb 0.07 -2.43 0.04 0.00 0.01 0.00 0.00 72.50 70.19 4yas s THR 137 CO -0.04 0.54 0.23 -0.75 -0.69 0.00 0.00 174.62 173.91 4yas s LYS 138 N 0.01 0.20 -1.40 4.92 2.47 -0.43 -4.93 119.74 120.57 4yas s LYS 138 Ca -0.02 0.48 -0.06 0.00 -1.56 0.00 0.00 55.97 54.81 4yas s LYS 138 Cb -0.14 -0.10 0.00 0.00 -1.46 0.00 0.00 37.83 36.14 4yas s LYS 138 CO 0.04 -0.15 0.35 -0.25 0.16 0.00 0.00 175.35 175.50 4yas n ASP 139 N 4.06 -0.84 0.00 1.43 8.00 -1.26 -1.61 116.55 126.34 4yas n ASP 139 Ca -0.24 -1.13 0.00 0.00 0.71 0.00 0.00 54.79 54.13 4yas n ASP 139 Cb 0.54 -2.45 0.00 0.00 -0.02 0.00 0.00 41.12 39.18 4yas n ASP 139 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 4yas n GLY 140 N -2.16 2.90 3.77 0.44 0.00 -1.26 -5.01 105.19 103.87 4yas n GLY 140 Ca -0.27 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 4yas n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 4yas s LYS 141 N -0.10 3.06 -0.30 1.61 3.01 -0.63 -5.08 119.74 121.31 4yas s LYS 141 Ca 0.00 -0.46 -0.21 0.00 -1.01 0.00 0.00 55.97 54.29 4yas s LYS 141 Cb 0.00 -2.86 -0.01 0.00 -1.01 0.00 0.00 37.83 33.95 4yas s LYS 141 CO 0.00 0.66 0.64 -2.00 0.51 0.00 0.00 175.35 175.16 4yas s GLU 142 N -1.59 3.93 -0.10 1.68 2.12 -1.26 -1.31 118.70 122.17 4yas s GLU 142 Ca 0.21 0.36 -0.01 0.00 0.36 0.00 0.00 54.97 55.89 4yas s GLU 142 Cb -0.12 -3.72 -0.03 0.00 0.26 0.00 0.00 34.13 30.52 4yas s GLU 142 CO 0.12 -0.56 -0.05 0.42 -0.54 0.00 0.00 175.26 174.65 4yas s ILE 143 N 2.62 3.81 -0.31 -3.70 1.01 -0.09 -4.96 121.20 119.59 4yas s ILE 143 Ca 0.26 -0.42 -0.22 0.00 0.00 0.00 0.00 60.65 60.27 4yas s ILE 143 Cb -0.15 -2.60 -0.00 0.00 0.01 0.00 0.00 42.46 39.72 4yas s ILE 143 CO 0.11 0.57 0.73 -0.89 0.00 0.00 0.00 174.94 175.46 4yas s THR 144 N -0.43 4.84 0.55 2.92 2.01 -1.26 -1.51 115.64 122.76 4yas s THR 144 Ca 0.07 1.06 -0.03 0.00 0.31 0.00 0.00 61.69 63.09 4yas s THR 144 Cb -0.12 -4.10 0.02 0.00 0.01 0.00 0.00 72.50 68.30 4yas s THR 144 CO 0.02 -0.22 0.81 -0.83 -0.69 0.00 0.00 174.62 173.71 4yas s GLY 145 N 1.64 1.64 0.09 4.40 0.00 0.47 -4.31 107.32 111.25 4yas s GLY 145 Ca 0.30 -0.96 -0.12 0.00 0.00 0.00 0.00 44.72 43.94 4yas s GLY 145 CO 0.12 -0.70 0.29 0.48 0.00 0.00 0.00 173.10 173.30 4yas s LEU 146 N -4.83 0.93 -0.09 0.66 2.34 -0.31 -1.93 118.68 115.46 4yas s LEU 146 Ca 0.53 -0.44 -0.02 0.00 0.06 0.00 0.00 54.13 54.27 4yas s LEU 146 Cb -0.10 1.40 0.03 0.00 -0.56 0.00 0.00 46.19 46.96 4yas s LEU 146 CO 0.41 -0.75 0.01 -0.75 -1.06 0.00 0.00 176.35 174.22 4yas s LYS 147 N -3.59 0.52 0.21 1.48 2.20 -0.29 -1.41 119.74 118.87 4yas s LYS 147 Ca 0.02 0.07 -0.32 0.00 -0.36 0.00 0.00 55.97 55.38 4yas s LYS 147 Cb 0.03 -1.09 -0.12 0.00 -1.51 0.00 0.00 37.83 35.14 4yas s LYS 147 CO -0.10 -0.36 1.70 1.28 -0.36 0.00 0.00 175.35 177.52 4yas n LEU 148 N 5.16 3.95 -4.78 5.43 4.77 -1.26 -1.42 117.00 128.85 4yas n LEU 148 Ca -0.07 1.07 -0.37 0.00 -0.03 0.00 0.00 56.01 56.61 4yas n LEU 148 Cb 0.50 -1.56 -0.03 0.00 -2.33 0.00 0.00 43.42 39.99 4yas n LEU 148 CO 0.10 0.14 0.78 -0.83 -1.33 0.00 0.00 177.39 176.25 4yas s GLY 149 N 1.11 2.77 0.44 -0.72 0.00 -1.26 -4.84 107.32 104.82 4yas s GLY 149 Ca 0.75 0.81 0.14 0.00 0.00 0.00 0.00 44.72 46.41 4yas s GLY 149 CO 0.34 1.26 1.99 0.74 0.00 0.00 0.00 173.10 177.42 4yas h PHE 150 N 2.38 0.05 -0.01 1.90 0.04 -1.93 -0.56 116.94 118.82 4yas h PHE 150 Ca -0.49 -0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.04 4yas h PHE 150 Cb 1.23 -0.01 0.01 0.00 2.20 0.00 0.00 35.95 39.37 4yas h PHE 150 CO 0.56 0.21 -0.96 1.15 -0.60 0.00 0.00 178.31 178.67 4yas h THR 151 N 0.05 1.36 -0.74 -1.55 2.02 -1.94 -0.89 112.91 111.22 4yas h THR 151 Ca 0.01 -2.36 -0.03 0.00 0.77 0.00 0.00 66.41 64.80 4yas h THR 151 Cb 0.31 2.38 -0.03 0.00 -1.74 0.00 0.00 68.15 69.06 4yas h THR 151 CO 0.02 0.71 0.34 0.25 0.37 0.00 0.00 175.52 177.21 4yas h LEU 152 N 0.29 0.99 -0.26 2.58 5.85 -1.72 0.01 115.31 123.06 4yas h LEU 152 Ca -0.09 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 4yas h LEU 152 Cb 1.60 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 4yas h LEU 152 CO 0.17 0.86 0.13 -0.07 -0.34 0.00 0.00 178.44 179.19 4yas h LEU 153 N 1.05 0.33 -0.32 2.25 4.07 -1.05 -0.19 115.31 121.45 4yas h LEU 153 Ca 0.25 -0.12 -0.05 0.00 0.08 0.00 0.00 57.88 58.04 4yas h LEU 153 Cb 0.15 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 4yas h LEU 153 CO -0.03 0.36 -0.00 -0.09 -1.08 0.00 0.00 178.44 177.60 4yas h ARG 154 N 0.28 0.57 0.07 1.13 9.65 -0.86 0.67 114.38 125.90 4yas h ARG 154 Ca 0.09 -0.18 -0.34 0.00 -1.10 0.00 0.00 59.98 58.45 4yas h ARG 154 Cb 0.11 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.61 4yas h ARG 154 CO -0.01 0.71 -1.91 0.39 2.80 0.00 0.00 179.97 181.94 4yas n GLU 155 N -4.54 0.71 -0.06 0.20 1.02 -0.04 -3.20 120.64 114.73 4yas n GLU 155 Ca -0.02 0.26 -0.07 0.00 -0.02 0.00 0.00 57.16 57.31 4yas n GLU 155 Cb 0.27 -1.73 -0.08 0.00 -0.02 0.00 0.00 31.44 29.87 4yas n GLU 155 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 4yas n ASN 156 N -3.29 2.37 -0.06 1.62 4.13 -0.10 -4.27 115.26 115.67 4yas n ASN 156 Ca -0.27 -0.03 -0.20 0.00 1.68 0.00 0.00 54.58 55.77 4yas n ASN 156 Cb 1.05 0.43 -0.13 0.00 -1.54 0.00 0.00 39.78 39.59 4yas n ASN 156 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 4yas n LEU 157 N -2.61 2.79 -1.31 3.41 4.32 -1.08 -3.57 117.00 118.95 4yas n LEU 157 Ca -0.22 0.04 -0.09 0.00 -0.02 0.00 0.00 56.01 55.73 4yas n LEU 157 Cb 0.85 -1.01 0.15 0.00 -1.62 0.00 0.00 43.42 41.79 4yas n LEU 157 CO 0.21 0.89 0.54 -1.22 -1.22 0.00 0.00 177.39 176.60 4yas n TYR 158 N -3.37 1.35 -0.37 -1.77 4.02 0.22 -3.12 117.16 114.13 4yas n TYR 158 Ca -0.39 -1.83 -0.02 0.00 -0.01 0.00 0.00 57.90 55.65 4yas n TYR 158 Cb 1.02 -0.46 0.02 0.00 -0.02 0.00 0.00 39.34 39.90 4yas n TYR 158 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 4yas n THR 159 N -1.02 -0.51 -0.43 -0.72 -1.04 -1.20 -1.69 114.28 107.67 4yas n THR 159 Ca 0.34 2.22 0.07 0.00 -2.04 0.00 0.00 64.05 64.65 4yas n THR 159 Cb 0.91 -2.91 0.23 0.00 -1.82 0.00 0.00 70.33 66.74 4yas n THR 159 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 4yas n LEU 160 N -5.36 3.54 -4.81 -4.42 4.77 -1.26 -4.93 117.00 104.52 4yas n LEU 160 Ca 0.09 -2.28 -0.33 0.00 -0.03 0.00 0.00 56.01 53.46 4yas n LEU 160 Cb 0.36 -0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 41.05 4yas n LEU 160 CO -0.13 0.76 0.71 0.00 -1.33 0.00 0.00 177.39 177.40 4yas s GLY 162 N -2.38 1.65 0.50 0.00 0.00 -1.26 -4.78 107.32 101.05 4yas s GLY 162 Ca 0.65 0.35 0.21 0.00 0.00 0.00 0.00 44.72 45.93 4yas s GLY 162 CO 0.26 0.82 2.08 -0.56 0.00 0.00 0.00 173.10 175.70 4yas h PRO 163 N -1.87 0.00 0.00 2.90 0.13 -1.98 -1.98 132.00 129.21 4yas h PRO 163 Ca -0.47 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 4yas h PRO 163 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 4yas h PRO 163 CO 0.46 0.11 -0.23 1.05 -0.23 0.00 0.00 178.00 179.17 4yas h GLU 164 N 0.00 0.00 0.16 0.86 9.09 -1.99 -0.17 114.58 122.53 4yas h GLU 164 Ca -0.00 0.00 -0.24 0.00 0.05 0.00 0.00 59.36 59.17 4yas h GLU 164 Cb 0.24 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.37 4yas h GLU 164 CO 0.01 0.23 -1.02 0.93 0.05 0.00 0.00 179.01 179.21 4yas h GLU 165 N 0.00 0.41 -0.29 1.06 4.39 -1.73 -2.95 114.58 115.48 4yas h GLU 165 Ca -0.00 -0.66 -0.04 0.00 0.34 0.00 0.00 59.36 59.00 4yas h GLU 165 Cb 0.95 0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 29.82 4yas h GLU 165 CO 0.03 1.30 0.01 -0.92 -1.16 0.00 0.00 179.01 178.27 4yas h TYR 166 N -0.13 0.44 -0.46 4.33 3.20 -1.33 -2.52 116.97 120.49 4yas h TYR 166 Ca -0.17 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.63 4yas h TYR 166 Cb 1.79 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.91 4yas h TYR 166 CO 0.17 0.43 0.15 1.49 -1.64 0.00 0.00 178.16 178.76 4yas h GLU 167 N 0.42 0.72 -1.00 1.82 4.57 -1.05 -2.01 114.58 118.04 4yas h GLU 167 Ca 0.09 -0.15 0.07 0.00 -1.18 0.00 0.00 59.36 58.19 4yas h GLU 167 Cb 0.26 -0.11 -0.07 0.00 -0.16 0.00 0.00 28.75 28.67 4yas h GLU 167 CO 0.01 0.68 0.65 -0.07 -1.18 0.00 0.00 179.01 179.09 4yas h LEU 168 N 0.61 1.03 -0.46 1.64 3.38 -1.28 -1.35 115.31 118.88 4yas h LEU 168 Ca 0.15 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 4yas h LEU 168 Cb 0.26 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 4yas h LEU 168 CO -0.01 0.65 0.17 0.00 0.09 0.00 0.00 178.44 179.34 4yas h ALA 169 N 1.46 0.60 -0.25 1.53 0.00 -1.08 0.12 119.26 121.64 4yas h ALA 169 Ca 0.44 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 4yas h ALA 169 Cb 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 4yas h ALA 169 CO -0.18 0.23 -0.18 0.87 0.00 0.00 0.00 179.25 179.99 4yas h LYS 170 N 0.61 0.44 0.06 0.00 1.57 -0.95 -1.28 116.57 117.01 4yas h LYS 170 Ca 0.15 -0.14 -0.27 0.00 -1.87 0.00 0.00 60.65 58.52 4yas h LYS 170 Cb 0.23 -0.04 0.02 0.00 0.08 0.00 0.00 32.23 32.52 4yas h LYS 170 CO -0.01 0.61 -1.12 0.52 -0.57 0.00 0.00 179.45 178.88 4yas h MET 171 N 0.40 0.60 0.00 3.15 2.86 -1.10 -3.40 114.93 117.44 4yas h MET 171 Ca 0.07 -0.72 -0.00 0.00 -2.06 0.00 0.00 59.70 56.99 4yas h MET 171 Cb 0.55 0.22 -0.00 0.00 0.06 0.00 0.00 31.60 32.43 4yas h MET 171 CO 0.04 1.31 -1.63 1.28 1.06 0.00 0.00 176.91 178.96 4yas n LEU 172 N -3.79 0.00 -4.76 1.22 4.77 0.39 -4.98 117.00 109.85 4yas n LEU 172 Ca -0.11 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.46 4yas n LEU 172 Cb 0.92 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.00 4yas n LEU 172 CO 0.56 0.00 1.03 0.42 -1.33 0.00 0.00 177.39 178.07 4yas s THR 173 N -2.96 2.65 0.44 -5.08 -4.23 -0.49 -4.81 115.64 101.17 4yas s THR 173 Ca -0.05 0.62 0.06 0.00 -1.18 0.00 0.00 61.69 61.14 4yas s THR 173 Cb 0.09 -3.40 -0.06 0.00 1.34 0.00 0.00 72.50 70.47 4yas s THR 173 CO 0.58 0.13 0.03 -0.13 -0.54 0.00 0.00 174.62 174.69 4yas s ARG 174 N -1.41 2.04 0.33 3.99 0.52 -0.70 -4.99 118.95 118.73 4yas s ARG 174 Ca 0.52 -2.16 -0.29 0.00 -0.52 0.00 0.00 55.73 53.28 4yas s ARG 174 Cb -0.41 -1.64 -0.11 0.00 0.52 0.00 0.00 34.95 33.31 4yas s ARG 174 CO 0.51 -0.14 1.55 0.15 0.02 0.00 0.00 175.30 177.39 4yas s LYS 175 N -3.77 4.11 0.00 3.54 1.02 -1.26 -4.41 119.74 118.96 4yas s LYS 175 Ca 0.28 2.59 0.00 0.00 0.02 0.00 0.00 55.97 58.86 4yas s LYS 175 Cb 0.07 -2.99 0.00 0.00 -0.52 0.00 0.00 37.83 34.39 4yas s LYS 175 CO 0.15 -0.60 0.00 0.41 -0.92 0.00 0.00 175.35 174.39 4yas n GLY 176 N 1.34 4.55 3.50 -3.33 0.00 -0.50 -4.68 105.19 106.07 4yas n GLY 176 Ca 0.05 -1.52 -0.16 0.00 0.00 0.00 0.00 46.02 44.39 4yas n GLY 176 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 4yas s SER 177 N 0.04 -0.61 0.26 1.61 0.15 -1.26 -1.16 113.70 112.73 4yas s SER 177 Ca 0.00 0.88 0.24 0.00 0.70 0.00 0.00 55.95 57.77 4yas s SER 177 Cb 0.00 0.83 0.46 0.00 -1.71 0.00 0.00 66.02 65.60 4yas s SER 177 CO 0.00 -0.43 1.53 -0.07 1.20 0.00 0.00 173.24 175.47 4yas h LEU 178 N 3.97 0.00 -0.28 3.45 4.07 -1.97 -3.48 115.31 121.07 4yas h LEU 178 Ca -0.28 -0.05 -0.45 0.00 0.08 0.00 0.00 57.88 57.19 4yas h LEU 178 Cb 1.15 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.79 4yas h LEU 178 CO 0.27 0.02 -0.68 0.49 -1.08 0.00 0.00 178.44 177.46 4yas n PHE 179 N -2.54 -1.92 -0.33 1.13 3.72 -1.26 -4.86 117.46 111.40 4yas n PHE 179 Ca 0.04 0.67 -0.03 0.00 -0.05 0.00 0.00 57.45 58.09 4yas n PHE 179 Cb 0.48 -3.25 0.12 0.00 -0.94 0.00 0.00 39.48 35.88 4yas n PHE 179 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 4yas h GLN 180 N -1.41 1.24 -0.33 -1.08 4.15 -1.92 -1.24 115.11 114.52 4yas h GLN 180 Ca -0.51 -0.11 -0.12 0.00 0.77 0.00 0.00 58.65 58.67 4yas h GLN 180 Cb 1.34 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 28.76 4yas h GLN 180 CO 0.64 0.87 -0.30 -2.95 -1.93 0.00 0.00 178.83 175.15 4yas h ASN 181 N 1.26 0.72 1.13 -0.69 -1.07 -1.95 -2.01 115.58 112.97 4yas h ASN 181 Ca 0.33 -0.29 -0.18 0.00 0.07 0.00 0.00 56.30 56.24 4yas h ASN 181 Cb -0.05 -0.20 -0.03 0.00 -2.07 0.00 0.00 38.32 35.97 4yas h ASN 181 CO -0.06 0.98 -0.88 -0.29 0.07 0.00 0.00 177.43 177.25 4yas h ILE 182 N 0.59 1.37 -0.42 6.14 -0.00 -1.83 -3.19 117.51 120.18 4yas h ILE 182 Ca 0.07 -2.97 -0.09 0.00 -0.00 0.00 0.00 64.86 61.87 4yas h ILE 182 Cb 0.81 2.67 -0.02 0.00 -0.00 0.00 0.00 36.82 40.28 4yas h ILE 182 CO 0.07 0.78 -0.12 -0.07 -0.00 0.00 0.00 178.15 178.81 4yas h LEU 183 N 0.00 0.74 -1.43 2.19 3.38 -1.14 -0.99 115.31 118.06 4yas h LEU 183 Ca -0.02 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.69 4yas h LEU 183 Cb 1.65 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.19 4yas h LEU 183 CO 0.10 0.88 -0.02 0.00 0.09 0.00 0.00 178.44 179.49 4yas h ALA 184 N 1.19 1.54 -0.03 1.53 0.00 -1.38 -2.66 119.26 119.45 4yas h ALA 184 Ca 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.87 4yas h ALA 184 Cb 0.59 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.27 4yas h ALA 184 CO 0.04 0.33 -0.03 1.63 0.00 0.00 0.00 179.25 181.22 4yas n LYS 185 N -4.33 2.21 -2.29 0.00 4.01 -1.04 -4.81 118.16 111.91 4yas n LYS 185 Ca 0.00 -1.80 -0.38 0.00 -0.51 0.00 0.00 58.31 55.63 4yas n LYS 185 Cb 0.21 -1.46 -0.02 0.00 -0.51 0.00 0.00 35.03 33.25 4yas n LYS 185 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 4yas s ARG 186 N -2.03 3.96 0.37 1.97 3.52 -0.40 -5.01 118.95 121.32 4yas s ARG 186 Ca 0.28 1.81 -0.26 0.00 -0.13 0.00 0.00 55.73 57.43 4yas s ARG 186 Cb 0.20 -2.58 -0.12 0.00 -1.56 0.00 0.00 34.95 30.89 4yas s ARG 186 CO 0.32 -0.39 1.09 -0.35 -0.81 0.00 0.00 175.30 175.15 4yas n PRO 187 N -0.12 1.56 -1.71 5.12 -0.04 -1.26 -4.60 135.00 133.95 4yas n PRO 187 Ca 0.05 0.55 -0.38 0.00 -0.04 0.00 0.00 63.50 63.69 4yas n PRO 187 Cb 0.47 -2.07 0.05 0.00 -0.04 0.00 0.00 33.50 31.91 4yas n PRO 187 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 4yas n PHE 188 N -0.08 1.89 -1.88 0.54 3.01 -1.26 -4.75 117.46 114.93 4yas n PHE 188 Ca 0.08 0.43 -0.39 0.00 1.01 0.00 0.00 57.45 58.58 4yas n PHE 188 Cb 0.36 -2.29 0.02 0.00 -0.01 0.00 0.00 39.48 37.56 4yas n PHE 188 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 4yas s PHE 189 N -1.35 2.53 0.22 1.38 0.08 -1.26 -4.98 117.98 114.60 4yas s PHE 189 Ca 0.75 1.33 -0.08 0.00 0.12 0.00 0.00 56.93 59.05 4yas s PHE 189 Cb -0.41 -3.82 -0.07 0.00 -0.57 0.00 0.00 43.02 38.15 4yas s PHE 189 CO 0.47 -2.67 0.52 0.95 -0.10 0.00 0.00 175.22 174.38 4yas s THR 190 N -1.25 4.99 0.35 0.64 -4.23 -1.26 -4.57 115.64 110.30 4yas s THR 190 Ca 0.62 0.35 0.09 0.00 -1.18 0.00 0.00 61.69 61.57 4yas s THR 190 Cb -0.41 -3.63 0.10 0.00 1.34 0.00 0.00 72.50 69.89 4yas s THR 190 CO 0.52 -0.08 1.81 0.11 -0.54 0.00 0.00 174.62 176.44 4yas h LYS 191 N 2.50 0.19 0.00 3.99 1.57 -1.93 -0.78 116.57 122.10 4yas h LYS 191 Ca -0.47 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.22 4yas h LYS 191 Cb 1.17 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.46 4yas h LYS 191 CO 0.69 0.47 -0.34 1.05 -0.57 0.00 0.00 179.45 180.76 4yas h GLU 192 N 0.17 0.00 0.00 3.15 9.09 -1.94 -2.64 114.58 122.41 4yas h GLU 192 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.43 4yas h GLU 192 Cb 0.61 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.71 4yas h GLU 192 CO 0.04 0.09 0.00 0.41 0.05 0.00 0.00 179.01 179.61 4yas n GLY 193 N 1.15 0.16 0.20 1.06 0.00 -1.22 -4.34 105.19 102.20 4yas n GLY 193 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 4yas n GLY 193 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 4yas h TYR 194 N 0.00 0.27 0.00 1.61 3.20 -1.52 -2.18 116.97 118.35 4yas h TYR 194 Ca 0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 4yas h TYR 194 Cb 0.00 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.22 4yas h TYR 194 CO 0.00 0.08 -0.04 0.78 -1.64 0.00 0.00 178.16 177.34 4yas h GLY 195 N 0.32 0.00 1.99 1.82 0.00 -1.07 -2.75 103.07 103.38 4yas h GLY 195 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 4yas h GLY 195 CO -0.26 0.00 -0.01 1.48 0.00 0.00 0.00 176.54 177.75 4yas h SER 196 N 0.00 0.00 -4.00 0.19 4.64 -1.02 -3.47 113.55 109.89 4yas h SER 196 Ca -0.00 -0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.86 4yas h SER 196 Cb 0.10 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 4yas h SER 196 CO 0.01 0.00 0.29 0.27 -0.87 0.00 0.00 176.83 176.53 4yas s ILE 197 N -3.16 4.48 0.19 0.95 -4.36 -1.04 -5.02 121.20 113.24 4yas s ILE 197 Ca 0.09 1.32 -0.30 0.00 -0.26 0.00 0.00 60.65 61.49 4yas s ILE 197 Cb 0.08 -3.62 -0.08 0.00 1.25 0.00 0.00 42.46 40.09 4yas s ILE 197 CO 0.64 -0.36 1.27 -0.54 0.24 0.00 0.00 174.94 176.19 4yas s LYS 198 N -3.30 4.42 -0.12 0.37 -0.14 -1.26 -4.94 119.74 114.77 4yas s LYS 198 Ca 0.60 1.99 0.00 0.00 -1.36 0.00 0.00 55.97 57.20 4yas s LYS 198 Cb -0.09 -3.21 0.02 0.00 -1.68 0.00 0.00 37.83 32.87 4yas s LYS 198 CO 0.17 -0.20 -0.10 0.15 -0.76 0.00 0.00 175.35 174.61 4yas s LYS 199 N -0.11 1.80 -0.17 1.68 1.02 -1.26 -0.80 119.74 121.90 4yas s LYS 199 Ca 0.56 -0.37 -0.01 0.00 0.02 0.00 0.00 55.97 56.17 4yas s LYS 199 Cb -0.35 -1.74 -0.00 0.00 -0.52 0.00 0.00 37.83 35.22 4yas s LYS 199 CO 0.37 -0.22 -0.13 0.42 -0.92 0.00 0.00 175.35 174.87 4yas s ILE 200 N 1.52 2.82 -0.26 2.17 1.09 0.03 -0.90 121.20 127.66 4yas s ILE 200 Ca 0.03 -0.71 -0.07 0.00 -1.10 0.00 0.00 60.65 58.80 4yas s ILE 200 Cb -0.13 -2.21 -0.01 0.00 -1.06 0.00 0.00 42.46 39.04 4yas s ILE 200 CO -0.08 0.50 0.06 -0.47 -0.10 0.00 0.00 174.94 174.85 4yas s TYR 201 N 0.97 3.09 -0.12 3.97 6.14 -0.41 -0.64 117.35 130.35 4yas s TYR 201 Ca -0.02 -0.67 -0.01 0.00 0.64 0.00 0.00 57.07 57.02 4yas s TYR 201 Cb -0.15 -2.23 -0.02 0.00 0.42 0.00 0.00 41.96 39.98 4yas s TYR 201 CO -0.02 -0.46 -0.09 0.08 0.64 0.00 0.00 175.55 175.70 4yas s VAL 202 N 1.56 3.42 0.22 3.14 1.01 0.60 -0.55 120.40 129.80 4yas s VAL 202 Ca 0.05 -0.55 -0.19 0.00 0.00 0.00 0.00 61.98 61.30 4yas s VAL 202 Cb -0.16 -2.44 0.03 0.00 0.00 0.00 0.00 36.38 33.81 4yas s VAL 202 CO 0.02 0.54 0.59 -1.66 0.00 0.00 0.00 175.10 174.59 4yas s TRP 203 N -0.00 -0.15 -0.02 5.22 1.48 -0.65 -1.16 118.94 123.66 4yas s TRP 203 Ca -0.02 -0.21 0.06 0.00 -1.06 0.00 0.00 56.10 54.86 4yas s TRP 203 Cb -0.14 0.49 -0.01 0.00 -1.16 0.00 0.00 33.47 32.65 4yas s TRP 203 CO 0.03 -1.01 -0.20 -0.08 -4.06 0.00 0.00 176.95 171.64 4yas s THR 204 N -3.88 1.56 -1.69 0.66 -1.32 -1.26 -0.27 115.64 109.44 4yas s THR 204 Ca 0.10 -0.83 0.24 0.00 -1.21 0.00 0.00 61.69 59.99 4yas s THR 204 Cb -0.02 -1.30 0.53 0.00 -1.51 0.00 0.00 72.50 70.20 4yas s THR 204 CO -0.00 0.44 1.78 -0.90 -2.21 0.00 0.00 174.62 173.73 4yas n ASP 205 N 2.71 0.00 -1.01 8.08 5.68 -1.26 -2.83 116.55 127.92 4yas n ASP 205 Ca -0.16 -0.37 0.10 0.00 -0.50 0.00 0.00 54.79 53.87 4yas n ASP 205 Cb 0.53 -0.16 0.26 0.00 -1.14 0.00 0.00 41.12 40.62 4yas n ASP 205 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 4yas n GLN 206 N -1.16 2.29 -1.98 0.11 1.13 -1.26 -4.64 117.38 111.87 4yas n GLN 206 Ca 0.14 -1.99 -0.42 0.00 -1.94 0.00 0.00 57.00 52.79 4yas n GLN 206 Cb 0.14 -1.46 -0.03 0.00 0.11 0.00 0.00 30.24 29.01 4yas n GLN 206 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 4yas s ASP 207 N -1.18 6.65 0.00 1.08 -1.08 -1.13 -4.62 116.67 116.39 4yas s ASP 207 Ca 0.38 2.35 0.27 0.00 -0.52 0.00 0.00 52.55 55.03 4yas s ASP 207 Cb 0.20 -2.55 1.14 0.00 -1.46 0.00 0.00 42.92 40.26 4yas s ASP 207 CO 0.27 -0.89 1.79 -0.62 0.52 0.00 0.00 175.17 176.24 4yas n GLU 208 N 6.25 1.52 0.00 4.34 -0.58 -1.25 -4.10 120.64 126.81 4yas n GLU 208 Ca 0.16 -0.76 0.00 0.00 -0.42 0.00 0.00 57.16 56.14 4yas n GLU 208 Cb 0.42 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 4yas n GLU 208 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 4yas n ILE 209 N -0.06 0.00 -2.76 -3.67 3.06 -1.23 -4.80 119.36 109.90 4yas n ILE 209 Ca 0.19 0.00 -0.44 0.00 -2.50 0.00 0.00 62.75 60.00 4yas n ILE 209 Cb 0.29 -0.99 0.00 0.00 0.54 0.00 0.00 39.64 39.48 4yas n ILE 209 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 4yas n PHE 210 N -2.72 4.35 -1.19 9.51 3.01 -1.26 -4.78 117.46 124.37 4yas n PHE 210 Ca 0.00 -3.18 -0.34 0.00 1.01 0.00 0.00 57.45 54.94 4yas n PHE 210 Cb 0.46 -2.12 0.11 0.00 -0.01 0.00 0.00 39.48 37.92 4yas n PHE 210 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 4yas n LEU 211 N 5.12 3.51 -0.32 4.37 4.77 -1.26 -4.62 117.00 128.57 4yas n LEU 211 Ca 0.38 0.60 0.17 0.00 -0.03 0.00 0.00 56.01 57.13 4yas n LEU 211 Cb 0.41 -1.43 0.41 0.00 -2.33 0.00 0.00 43.42 40.48 4yas n LEU 211 CO 0.69 -2.06 1.20 -0.65 -1.33 0.00 0.00 177.39 175.24 4yas h PRO 212 N -0.67 0.57 -0.62 3.23 0.11 -1.82 -0.97 132.00 131.84 4yas h PRO 212 Ca -0.46 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.67 4yas h PRO 212 Cb 1.31 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 4yas h PRO 212 CO 0.45 0.38 0.32 1.49 -0.21 0.00 0.00 178.00 180.43 4yas h GLU 213 N 0.59 0.59 -0.19 1.05 4.81 -1.98 0.31 114.58 119.75 4yas h GLU 213 Ca 0.57 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.69 4yas h GLU 213 Cb 1.13 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.37 4yas h GLU 213 CO -0.33 0.39 -0.17 0.35 -0.73 0.00 0.00 179.01 178.52 4yas h PHE 214 N 0.60 0.53 -0.21 0.92 3.57 -1.54 -1.80 116.94 119.02 4yas h PHE 214 Ca 0.28 -0.16 -0.18 0.00 3.53 0.00 0.00 57.97 61.44 4yas h PHE 214 Cb 0.19 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.82 4yas h PHE 214 CO -0.09 0.80 -0.58 1.96 -2.23 0.00 0.00 178.31 178.17 4yas h GLN 215 N 0.11 0.69 -0.05 1.11 4.20 -1.18 -1.56 115.11 118.44 4yas h GLN 215 Ca 0.03 -0.45 -0.13 0.00 0.06 0.00 0.00 58.65 58.15 4yas h GLN 215 Cb 0.71 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 4yas h GLN 215 CO 0.04 1.08 -0.58 -0.07 -0.67 0.00 0.00 178.83 178.63 4yas h LEU 216 N 0.52 0.17 -0.76 1.46 3.38 -1.03 -2.15 115.31 116.90 4yas h LEU 216 Ca 0.00 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 4yas h LEU 216 Cb 1.16 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 4yas h LEU 216 CO 0.12 0.72 0.33 -0.25 0.09 0.00 0.00 178.44 179.44 4yas h TRP 217 N 0.12 1.14 -0.35 1.13 7.01 -1.10 -2.30 115.95 121.60 4yas h TRP 217 Ca -0.00 -0.07 -0.16 0.00 2.11 0.00 0.00 58.89 60.76 4yas h TRP 217 Cb 1.06 -0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 27.76 4yas h TRP 217 CO 0.01 0.85 -0.42 1.96 -2.79 0.00 0.00 178.44 178.05 4yas h GLN 218 N 1.09 0.88 -0.90 2.65 4.20 -0.84 -0.87 115.11 121.33 4yas h GLN 218 Ca 0.26 -0.48 -0.02 0.00 0.06 0.00 0.00 58.65 58.47 4yas h GLN 218 Cb 0.18 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.94 4yas h GLN 218 CO -0.03 1.13 0.50 0.82 -0.67 0.00 0.00 178.83 180.58 4yas h ILE 219 N 0.71 1.26 -0.33 2.54 2.04 -1.37 -1.73 117.51 120.63 4yas h ILE 219 Ca 0.05 -0.63 -0.18 0.00 1.00 0.00 0.00 64.86 65.10 4yas h ILE 219 Cb 1.01 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 4yas h ILE 219 CO 0.10 0.29 -0.48 -0.08 0.00 0.00 0.00 178.15 177.98 4yas h GLU 220 N 1.26 0.90 -0.42 2.37 4.22 -1.34 -3.18 114.58 118.40 4yas h GLU 220 Ca 0.32 -0.53 -0.12 0.00 0.08 0.00 0.00 59.36 59.11 4yas h GLU 220 Cb 0.02 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 4yas h GLU 220 CO -0.05 1.17 -0.22 -0.97 -2.18 0.00 0.00 179.01 176.77 4yas h ASN 221 N 0.71 0.85 -2.17 1.04 -1.24 -0.76 -3.40 115.58 110.62 4yas h ASN 221 Ca 0.03 -0.31 -0.41 0.00 0.71 0.00 0.00 56.30 56.33 4yas h ASN 221 Cb 1.08 -0.23 -0.34 0.00 0.73 0.00 0.00 38.32 39.56 4yas h ASN 221 CO 0.11 1.04 -0.71 -0.47 -1.29 0.00 0.00 177.43 176.11 4yas s TYR 222 N -4.63 -0.11 -0.08 0.67 5.04 -0.69 -5.09 117.35 112.46 4yas s TYR 222 Ca -0.10 -0.82 -0.30 0.00 -2.44 0.00 0.00 57.07 53.40 4yas s TYR 222 Cb 0.13 -0.55 -0.08 0.00 0.35 0.00 0.00 41.96 41.81 4yas s TYR 222 CO 0.84 -0.92 2.05 1.17 -1.34 0.00 0.00 175.55 177.35 4yas n LYS 223 N 4.52 2.38 -2.07 4.97 3.00 -1.20 -4.62 118.16 125.15 4yas n LYS 223 Ca 0.07 0.81 -0.35 0.00 -0.00 0.00 0.00 58.31 58.84 4yas n LYS 223 Cb 0.44 -2.99 0.02 0.00 0.00 0.00 0.00 35.03 32.50 4yas n LYS 223 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.40 175.26 4yas s PRO 224 N 5.09 3.08 0.45 1.64 0.02 -1.26 -4.96 135.00 139.06 4yas s PRO 224 Ca 0.94 1.70 0.15 0.00 0.02 0.00 0.00 61.00 63.81 4yas s PRO 224 Cb -0.47 -1.96 1.03 0.00 0.02 0.00 0.00 34.50 33.12 4yas s PRO 224 CO 0.42 -1.09 2.00 -0.44 -0.33 0.00 0.00 177.00 177.56 4yas h ASP 225 N 0.89 0.00 -4.05 2.53 3.32 -1.40 -3.44 116.42 114.27 4yas h ASP 225 Ca -0.50 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.43 4yas h ASP 225 Cb 1.28 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.59 4yas h ASP 225 CO 0.56 0.18 -0.24 -0.75 -1.72 0.00 0.00 179.24 177.26 4yas s LYS 226 N -4.63 0.51 -0.09 3.56 2.36 -1.17 -5.03 119.74 115.26 4yas s LYS 226 Ca -0.04 0.46 0.03 0.00 -2.55 0.00 0.00 55.97 53.86 4yas s LYS 226 Cb 0.16 0.24 0.01 0.00 -1.05 0.00 0.00 37.83 37.19 4yas s LYS 226 CO 0.69 -0.08 -0.17 0.08 1.55 0.00 0.00 175.35 177.42 4yas s VAL 227 N -0.02 1.54 -0.15 4.02 1.01 -1.26 -1.28 120.40 124.26 4yas s VAL 227 Ca -0.02 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.27 4yas s VAL 227 Cb -0.03 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 34.99 4yas s VAL 227 CO 0.01 0.45 -0.20 -0.31 0.00 0.00 0.00 175.10 175.04 4yas s TYR 228 N 0.60 2.71 -0.23 5.22 1.51 0.28 -4.96 117.35 122.48 4yas s TYR 228 Ca -0.15 -1.38 -0.07 0.00 -1.01 0.00 0.00 57.07 54.47 4yas s TYR 228 Cb -0.16 -1.85 -0.03 0.00 -0.11 0.00 0.00 41.96 39.80 4yas s TYR 228 CO 0.05 -0.64 0.06 0.21 -1.11 0.00 0.00 175.55 174.12 4yas s LYS 229 N 0.94 3.69 -0.15 -0.62 2.20 -1.26 -1.64 119.74 122.89 4yas s LYS 229 Ca -0.04 -0.47 -0.18 0.00 -0.36 0.00 0.00 55.97 54.93 4yas s LYS 229 Cb -0.15 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 32.86 4yas s LYS 229 CO -0.04 -0.10 0.46 0.08 -0.36 0.00 0.00 175.35 175.39 4yas s VAL 230 N 1.37 5.18 0.07 4.02 1.01 0.63 -4.97 120.40 127.71 4yas s VAL 230 Ca 0.05 0.89 -0.30 0.00 0.00 0.00 0.00 61.98 62.62 4yas s VAL 230 Cb -0.15 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 4yas s VAL 230 CO 0.03 0.28 1.09 -1.61 0.00 0.00 0.00 175.10 174.89 4yas s GLU 231 N 0.96 4.53 2.59 2.72 0.41 -1.26 -4.29 118.70 124.36 4yas s GLU 231 Ca 0.24 1.62 0.00 0.00 -0.41 0.00 0.00 54.97 56.42 4yas s GLU 231 Cb -0.15 -3.37 0.00 0.00 -1.78 0.00 0.00 34.13 28.83 4yas s GLU 231 CO 0.09 -0.08 0.00 0.41 -0.49 0.00 0.00 175.26 175.19 4yas n GLY 232 N 2.79 -0.69 7.00 -1.39 0.00 -1.26 -5.04 105.19 106.61 4yas n GLY 232 Ca 0.06 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.94 4yas n GLY 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4yas n GLY 233 N 0.00 -0.52 0.00 -0.02 0.00 -1.26 -4.63 105.19 98.75 4yas n GLY 233 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.90 4yas n GLY 233 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 4yas n ASP 234 N -1.20 0.00 -0.25 1.61 5.68 -1.26 -4.70 116.55 116.43 4yas n ASP 234 Ca 0.00 -0.65 0.12 0.00 -0.50 0.00 0.00 54.79 53.76 4yas n ASP 234 Cb 0.00 0.00 0.40 0.00 -1.14 0.00 0.00 41.12 40.38 4yas n ASP 234 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 4yas h HIS 235 N 0.65 0.76 -2.12 2.11 -0.00 -1.81 -3.09 115.15 111.65 4yas h HIS 235 Ca 0.00 0.02 -0.78 0.00 -0.00 0.00 0.00 60.37 59.62 4yas h HIS 235 Cb 0.00 -0.24 -0.21 0.00 -0.00 0.00 0.00 27.41 26.96 4yas h HIS 235 CO 0.00 0.29 1.44 1.63 -0.00 0.00 0.00 177.93 181.29 4yas n LYS 236 N -4.54 3.90 0.28 5.26 4.76 -1.18 -4.81 118.16 121.82 4yas n LYS 236 Ca 0.17 -3.97 0.14 0.00 -2.87 0.00 0.00 58.31 51.77 4yas n LYS 236 Cb 0.47 -2.77 0.81 0.00 -1.84 0.00 0.00 35.03 31.69 4yas n LYS 236 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 4yas h LEU 237 N 7.12 0.00 0.00 -0.35 3.38 -1.91 -1.45 115.31 122.10 4yas h LEU 237 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 4yas h LEU 237 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 4yas h LEU 237 CO 1.45 0.07 0.00 0.00 0.09 0.00 0.00 178.44 180.06 4yas n GLN 238 N -3.68 0.28 -0.07 1.13 0.00 -1.26 -0.69 117.38 113.08 4yas n GLN 238 Ca -0.02 0.10 -0.12 0.00 0.00 0.00 0.00 57.00 56.96 4yas n GLN 238 Cb 0.18 -1.50 -0.06 0.00 0.00 0.00 0.00 30.24 28.86 4yas n GLN 238 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 4yas n LEU 239 N -1.29 2.41 0.10 2.61 4.77 -0.62 -4.20 117.00 120.79 4yas n LEU 239 Ca 0.09 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.13 4yas n LEU 239 Cb 0.16 -0.48 -0.01 0.00 -2.33 0.00 0.00 43.42 40.76 4yas n LEU 239 CO 0.15 0.61 0.07 0.71 -1.33 0.00 0.00 177.39 177.61 4yas h THR 240 N -0.16 0.36 -0.70 -5.08 1.35 -1.39 -3.38 112.91 103.91 4yas h THR 240 Ca -0.33 -1.63 -0.32 0.00 -0.55 0.00 0.00 66.41 63.57 4yas h THR 240 Cb 1.44 1.94 -0.40 0.00 -1.73 0.00 0.00 68.15 69.40 4yas h THR 240 CO -0.10 0.21 -1.10 0.29 -0.25 0.00 0.00 175.52 174.56 4yas n LYS 241 N -2.91 1.78 -0.25 4.72 4.76 0.13 -4.86 118.16 121.52 4yas n LYS 241 Ca -0.03 -3.53 0.02 0.00 -2.87 0.00 0.00 58.31 51.90 4yas n LYS 241 Cb 0.70 -1.58 0.14 0.00 -1.84 0.00 0.00 35.03 32.45 4yas n LYS 241 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 4yas h THR 242 N 4.31 0.86 -0.53 -0.18 2.02 -1.70 -1.37 112.91 116.33 4yas h THR 242 Ca -0.06 -0.22 -0.06 0.00 0.77 0.00 0.00 66.41 66.84 4yas h THR 242 Cb 1.24 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 4yas h THR 242 CO 0.37 0.12 0.09 0.50 0.37 0.00 0.00 175.52 176.97 4yas h LYS 243 N 0.64 0.87 -0.52 6.66 3.11 -1.92 -1.51 116.57 123.89 4yas h LYS 243 Ca 0.36 -0.23 -0.09 0.00 -2.81 0.00 0.00 60.65 57.88 4yas h LYS 243 Cb 0.36 -0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 31.47 4yas h LYS 243 CO -0.26 0.84 -0.04 0.93 -2.81 0.00 0.00 179.45 178.11 4yas h GLU 244 N 0.75 0.92 -0.43 1.90 3.07 -1.80 -1.61 114.58 117.38 4yas h GLU 244 Ca 0.16 -0.29 -0.06 0.00 -0.50 0.00 0.00 59.36 58.67 4yas h GLU 244 Cb 0.39 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 4yas h GLU 244 CO 0.01 0.93 0.02 0.82 -1.40 0.00 0.00 179.01 179.40 4yas h ILE 245 N 0.84 1.26 -0.37 3.13 1.08 -1.00 -1.78 117.51 120.66 4yas h ILE 245 Ca 0.15 -0.98 -0.05 0.00 -0.39 0.00 0.00 64.86 63.58 4yas h ILE 245 Cb 0.56 1.05 -0.02 0.00 -3.07 0.00 0.00 36.82 35.34 4yas h ILE 245 CO 0.03 0.34 0.01 0.00 -0.69 0.00 0.00 178.15 177.84 4yas h ALA 246 N 0.91 1.34 -0.69 1.87 0.00 -1.11 0.09 119.26 121.67 4yas h ALA 246 Ca 0.12 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 4yas h ALA 246 Cb 0.45 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 4yas h ALA 246 CO 0.02 0.45 0.19 0.93 0.00 0.00 0.00 179.25 180.84 4yas h GLU 247 N 0.55 1.09 -0.36 0.00 5.08 -1.09 -0.20 114.58 119.65 4yas h GLU 247 Ca 0.12 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 4yas h GLU 247 Cb 0.33 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 4yas h GLU 247 CO 0.01 0.96 0.00 0.82 -1.00 0.00 0.00 179.01 179.80 4yas h ILE 248 N 1.03 1.26 -0.02 3.13 2.04 -0.90 -2.72 117.51 121.33 4yas h ILE 248 Ca 0.22 -0.98 -0.10 0.00 1.00 0.00 0.00 64.86 65.00 4yas h ILE 248 Cb 0.34 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 4yas h ILE 248 CO -0.00 0.33 -0.44 -0.07 0.00 0.00 0.00 178.15 177.97 4yas h LEU 249 N 0.45 0.06 -0.44 1.44 3.38 -0.81 -1.73 115.31 117.66 4yas h LEU 249 Ca 0.10 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 4yas h LEU 249 Cb 0.46 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 4yas h LEU 249 CO 0.02 0.49 0.20 -0.61 0.09 0.00 0.00 178.44 178.63 4yas h GLN 250 N 0.05 0.63 -0.95 1.13 5.75 -0.93 -0.98 115.11 119.81 4yas h GLN 250 Ca 0.00 -0.10 -0.00 0.00 -0.15 0.00 0.00 58.65 58.40 4yas h GLN 250 Cb 0.80 -0.11 -0.05 0.00 1.07 0.00 0.00 27.48 29.19 4yas h GLN 250 CO 0.06 0.55 0.58 0.93 -2.65 0.00 0.00 178.83 178.30 4yas h GLU 251 N 0.56 1.28 -0.54 1.69 5.08 -1.11 -0.67 114.58 120.89 4yas h GLU 251 Ca 0.15 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 4yas h GLU 251 Cb 0.13 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 4yas h GLU 251 CO -0.02 0.89 0.14 0.28 -1.00 0.00 0.00 179.01 179.30 4yas h VAL 252 N 1.31 1.24 -0.14 3.13 2.07 -1.08 -0.19 116.25 122.59 4yas h VAL 252 Ca 0.34 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 4yas h VAL 252 Cb -0.07 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 4yas h VAL 252 CO -0.07 0.31 -0.05 0.00 0.02 0.00 0.00 177.57 177.79 4yas h ALA 253 N 1.01 1.66 0.00 1.67 0.00 -0.82 0.83 119.26 123.62 4yas h ALA 253 Ca 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.95 4yas h ALA 253 Cb 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 4yas h ALA 253 CO -0.00 0.25 -0.14 -0.44 0.00 0.00 0.00 179.25 178.92 4yas h ASP 254 N 0.20 0.00 0.00 0.00 3.32 -0.53 -3.37 116.42 116.04 4yas h ASP 254 Ca 0.05 -0.04 -0.36 0.00 0.02 0.00 0.00 57.03 56.70 4yas h ASP 254 Cb 0.22 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.71 4yas h ASP 254 CO 0.01 0.02 -2.36 0.41 -1.72 0.00 0.00 179.24 175.60 4yas n THR 255 N -2.39 1.37 -4.00 0.35 -1.04 -0.14 -4.99 114.28 103.45 4yas n THR 255 Ca 0.05 -0.59 -0.30 0.00 -2.04 0.00 0.00 64.05 61.17 4yas n THR 255 Cb 0.45 -1.17 -0.16 0.00 -1.82 0.00 0.00 70.33 67.63 4yas n THR 255 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 4yas s TYR 256 N -2.48 2.12 0.00 -1.42 2.02 0.20 -5.09 117.35 112.71 4yas s TYR 256 Ca -0.27 -1.23 0.00 0.00 -0.37 0.00 0.00 57.07 55.19 4yas s TYR 256 Cb 0.08 -1.55 0.00 0.00 -0.40 0.00 0.00 41.96 40.08 4yas s TYR 256 CO 0.60 -0.67 0.05 0.27 -1.57 0.00 0.00 175.55 174.24