#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 7yas s PHE 3 N 0.00 3.05 0.22 0.00 0.08 -1.26 -4.73 117.98 115.34 7yas s PHE 3 Ca 0.00 0.05 0.00 0.00 0.12 0.00 0.00 56.93 57.10 7yas s PHE 3 Cb 0.00 -1.64 -0.05 0.00 -0.57 0.00 0.00 43.02 40.77 7yas s PHE 3 CO 0.00 0.46 0.10 0.00 -0.10 0.00 0.00 175.22 175.68 7yas s ALA 4 N -1.14 1.45 -0.39 5.36 0.00 -1.26 -5.03 121.76 120.76 7yas s ALA 4 Ca 0.21 -1.77 -0.08 0.00 0.00 0.00 0.00 51.96 50.32 7yas s ALA 4 Cb -0.12 1.14 0.07 0.00 0.00 0.00 0.00 23.12 24.21 7yas s ALA 4 CO 0.12 -0.50 0.20 -1.58 0.00 0.00 0.00 175.76 174.00 7yas s HIS 5 N -3.92 3.33 -0.03 0.00 2.46 -1.26 -1.72 115.29 114.16 7yas s HIS 5 Ca 0.37 -1.57 -0.21 0.00 0.47 0.00 0.00 55.06 54.11 7yas s HIS 5 Cb 0.07 -2.75 -0.05 0.00 -0.13 0.00 0.00 32.58 29.73 7yas s HIS 5 CO 0.12 -0.82 0.62 -0.06 -2.47 0.00 0.00 174.74 172.13 7yas s PHE 6 N 1.39 3.64 -0.31 3.88 0.08 -0.04 -1.04 117.98 125.59 7yas s PHE 6 Ca 0.02 1.20 -0.02 0.00 0.12 0.00 0.00 56.93 58.25 7yas s PHE 6 Cb -0.22 -2.67 0.05 0.00 -0.57 0.00 0.00 43.02 39.62 7yas s PHE 6 CO 0.02 0.26 0.01 0.08 -0.10 0.00 0.00 175.22 175.49 7yas s VAL 7 N 0.15 3.02 -0.10 -0.44 1.01 -0.36 -1.02 120.40 122.65 7yas s VAL 7 Ca 0.33 -1.42 -0.21 0.00 0.00 0.00 0.00 61.98 60.68 7yas s VAL 7 Cb -0.18 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 7yas s VAL 7 CO 0.17 -0.14 0.58 -0.76 0.00 0.00 0.00 175.10 174.95 7yas s LEU 8 N 1.25 4.29 -0.22 3.92 1.43 0.17 -1.13 118.68 128.39 7yas s LEU 8 Ca -0.04 0.99 0.01 0.00 -1.03 0.00 0.00 54.13 54.05 7yas s LEU 8 Cb -0.20 -2.88 0.05 0.00 0.03 0.00 0.00 46.19 43.20 7yas s LEU 8 CO -0.01 -0.06 -0.08 -0.63 0.23 0.00 0.00 176.35 175.80 7yas s ILE 9 N 0.74 1.64 0.99 -0.59 1.01 0.71 -2.81 121.20 122.89 7yas s ILE 9 Ca 0.31 -1.17 -0.13 0.00 0.00 0.00 0.00 60.65 59.67 7yas s ILE 9 Cb -0.16 -1.81 0.18 0.00 0.01 0.00 0.00 42.46 40.69 7yas s ILE 9 CO 0.14 0.02 1.10 -1.38 0.00 0.00 0.00 174.94 174.83 7yas s HIS 10 N 1.37 2.14 0.66 3.97 -3.43 -1.26 -1.82 115.29 116.92 7yas s HIS 10 Ca -0.04 0.92 -0.01 0.00 -0.80 0.00 0.00 55.06 55.13 7yas s HIS 10 Cb -0.18 -3.31 0.08 0.00 -1.43 0.00 0.00 32.58 27.75 7yas s HIS 10 CO -0.07 -2.84 0.92 -0.08 -2.00 0.00 0.00 174.74 170.67 7yas s THR 11 N -3.04 2.36 0.55 -5.38 -1.32 -1.25 -4.22 115.64 103.34 7yas s THR 11 Ca 0.65 -0.57 -0.21 0.00 -1.21 0.00 0.00 61.69 60.36 7yas s THR 11 Cb -0.18 -2.79 -0.04 0.00 -1.51 0.00 0.00 72.50 67.98 7yas s THR 11 CO 0.57 0.00 1.30 0.27 -2.21 0.00 0.00 174.62 174.54 7yas s ILE 12 N -3.02 2.31 0.00 5.08 -4.36 -1.26 -2.08 121.20 117.87 7yas s ILE 12 Ca 0.62 0.22 0.00 0.00 -0.26 0.00 0.00 60.65 61.23 7yas s ILE 12 Cb -0.08 -3.11 0.00 0.00 1.25 0.00 0.00 42.46 40.52 7yas s ILE 12 CO 0.42 -0.01 0.00 0.00 0.24 0.00 0.00 174.94 175.59 7yas n HIS 14 N -2.20 -0.16 -3.80 0.00 8.25 -0.88 -1.98 115.22 114.44 7yas n HIS 14 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 7yas n HIS 14 Cb 0.09 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.20 7yas n HIS 14 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 7yas n GLY 15 N 5.00 1.65 0.54 -1.41 0.00 -1.26 -3.38 105.19 106.33 7yas n GLY 15 Ca 0.00 -1.38 0.37 0.00 0.00 0.00 0.00 46.02 45.01 7yas n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 7yas h ALA 16 N 1.97 3.06 -0.52 4.61 0.00 -1.85 -2.42 119.26 124.12 7yas h ALA 16 Ca -0.26 -0.00 0.15 0.00 0.00 0.00 0.00 54.91 54.80 7yas h ALA 16 Cb 1.02 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 7yas h ALA 16 CO 0.33 -1.50 0.46 0.11 0.00 0.00 0.00 179.25 178.66 7yas h TRP 17 N 0.08 0.00 0.00 0.00 5.08 -1.93 -0.65 115.95 118.52 7yas h TRP 17 Ca 0.69 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.65 7yas h TRP 17 Cb 2.49 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 28.65 7yas h TRP 17 CO -0.00 0.00 -0.04 0.97 -1.28 0.00 0.00 178.44 178.09 7yas h ILE 18 N 0.00 0.35 -0.46 0.12 6.09 -1.85 -2.06 117.51 119.70 7yas h ILE 18 Ca 0.25 -0.23 0.00 0.00 -1.37 0.00 0.00 64.86 63.51 7yas h ILE 18 Cb 1.17 1.16 0.00 0.00 0.47 0.00 0.00 36.82 39.62 7yas h ILE 18 CO -0.00 0.04 0.00 0.79 -3.07 0.00 0.00 178.15 175.91 7yas n TRP 19 N -3.50 0.61 0.31 2.19 7.02 -0.25 -4.54 117.44 119.27 7yas n TRP 19 Ca -0.02 -0.30 0.20 0.00 -1.02 0.00 0.00 57.50 56.35 7yas n TRP 19 Cb 0.15 0.00 1.02 0.00 -2.42 0.00 0.00 31.31 30.06 7yas n TRP 19 CO 0.00 0.00 0.00 1.12 -2.02 0.00 0.00 177.69 176.79 7yas h HIS 20 N 2.89 0.00 0.15 -5.99 2.07 -1.50 -1.32 115.15 111.45 7yas h HIS 20 Ca 0.00 0.00 -0.36 0.00 -2.85 0.00 0.00 60.37 57.16 7yas h HIS 20 Cb 0.66 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.63 7yas h HIS 20 CO 0.30 0.02 -1.92 0.87 -3.07 0.00 0.00 177.93 174.13 7yas h LYS 21 N 0.00 0.31 -0.22 5.12 1.57 -1.84 -3.40 116.57 118.11 7yas h LYS 21 Ca -0.00 -0.52 -0.20 0.00 -1.87 0.00 0.00 60.65 58.06 7yas h LYS 21 Cb 0.16 0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.67 7yas h LYS 21 CO 0.00 1.25 -0.64 1.25 -0.57 0.00 0.00 179.45 180.74 7yas h LEU 22 N 0.08 0.89 -0.22 2.94 5.85 -1.63 -3.25 115.31 119.98 7yas h LEU 22 Ca -0.40 -0.52 -0.00 0.00 0.84 0.00 0.00 57.88 57.80 7yas h LEU 22 Cb 2.06 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.82 7yas h LEU 22 CO 0.12 1.30 0.13 0.50 -0.34 0.00 0.00 178.44 180.15 7yas h LYS 23 N 0.58 0.30 -0.25 1.25 3.64 -1.47 -1.05 116.57 119.56 7yas h LYS 23 Ca -0.01 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 7yas h LYS 23 Cb 1.24 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 7yas h LYS 23 CO 0.13 0.25 0.09 -1.00 -2.27 0.00 0.00 179.45 176.66 7yas h PRO 24 N 0.26 0.34 -0.27 1.90 0.13 -1.78 -1.92 132.00 130.67 7yas h PRO 24 Ca 0.08 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 65.11 7yas h PRO 24 Cb 0.03 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.09 7yas h PRO 24 CO -0.01 0.30 -0.06 1.25 -0.23 0.00 0.00 178.00 179.25 7yas h LEU 25 N 0.35 0.52 -0.85 1.56 5.85 -1.43 -0.47 115.31 120.83 7yas h LEU 25 Ca 0.09 -0.36 -0.08 0.00 0.84 0.00 0.00 57.88 58.37 7yas h LEU 25 Cb 0.09 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 7yas h LEU 25 CO -0.01 0.75 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.77 7yas h LEU 26 N 0.27 0.82 -1.27 2.25 3.38 -1.01 -2.44 115.31 117.32 7yas h LEU 26 Ca 0.07 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 7yas h LEU 26 Cb 0.52 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 7yas h LEU 26 CO 0.02 0.89 -0.22 -0.33 0.09 0.00 0.00 178.44 178.89 7yas h GLU 27 N 0.79 0.21 0.00 1.13 5.08 -1.19 -1.63 114.58 118.97 7yas h GLU 27 Ca 0.15 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 7yas h GLU 27 Cb 0.48 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.71 7yas h GLU 27 CO 0.02 0.43 0.00 0.00 -1.00 0.00 0.00 179.01 178.47 7yas n ALA 28 N -2.48 1.85 1.21 3.43 0.00 -0.20 -1.28 120.51 123.04 7yas n ALA 28 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.56 7yas n ALA 28 Cb 0.33 -1.36 0.31 0.00 0.00 0.00 0.00 19.45 18.73 7yas n ALA 28 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 7yas n LEU 29 N -1.91 1.28 0.00 0.00 4.77 -0.66 -4.96 117.00 115.52 7yas n LEU 29 Ca 0.04 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 7yas n LEU 29 Cb 0.26 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 7yas n LEU 29 CO 0.20 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 7yas n GLY 30 N 1.34 0.81 3.87 -0.72 0.00 -0.41 -4.97 105.19 105.12 7yas n GLY 30 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 7yas n GLY 30 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 7yas s HIS 31 N -2.00 3.49 -0.03 1.61 3.76 -0.91 -4.77 115.29 116.43 7yas s HIS 31 Ca 0.00 1.12 -0.18 0.00 -0.15 0.00 0.00 55.06 55.85 7yas s HIS 31 Cb 0.00 -2.51 -0.05 0.00 1.11 0.00 0.00 32.58 31.12 7yas s HIS 31 CO 0.00 -0.22 0.49 0.21 -0.85 0.00 0.00 174.74 174.37 7yas s LYS 32 N -4.11 4.19 -0.05 1.40 2.47 -0.70 -4.19 119.74 118.75 7yas s LYS 32 Ca 0.52 0.54 0.01 0.00 -1.56 0.00 0.00 55.97 55.49 7yas s LYS 32 Cb -0.10 -3.32 0.02 0.00 -1.46 0.00 0.00 37.83 32.96 7yas s LYS 32 CO 0.35 0.44 -0.07 0.08 0.16 0.00 0.00 175.35 176.31 7yas s VAL 33 N -0.33 0.68 -0.13 4.02 1.01 -1.26 -0.86 120.40 123.53 7yas s VAL 33 Ca 0.27 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.04 7yas s VAL 33 Cb -0.17 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.54 7yas s VAL 33 CO 0.14 0.25 -0.20 -0.89 0.00 0.00 0.00 175.10 174.41 7yas s THR 34 N 0.77 2.33 -0.31 3.92 2.01 -0.19 -4.99 115.64 119.18 7yas s THR 34 Ca -0.12 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.00 7yas s THR 34 Cb -0.14 -1.94 0.07 0.00 0.01 0.00 0.00 72.50 70.50 7yas s THR 34 CO 0.01 0.54 -0.01 0.00 -0.69 0.00 0.00 174.62 174.47 7yas s ALA 35 N 0.67 2.78 0.36 7.40 0.00 -1.26 -0.66 121.76 131.05 7yas s ALA 35 Ca -0.10 -2.02 -0.15 0.00 0.00 0.00 0.00 51.96 49.69 7yas s ALA 35 Cb -0.16 -1.86 -0.09 0.00 0.00 0.00 0.00 23.12 21.01 7yas s ALA 35 CO 0.02 -1.39 0.79 -0.51 0.00 0.00 0.00 175.76 174.67 7yas s LEU 36 N 1.11 3.98 -0.22 0.00 1.43 -1.12 -4.77 118.68 119.08 7yas s LEU 36 Ca -0.02 1.34 -0.11 0.00 -1.03 0.00 0.00 54.13 54.31 7yas s LEU 36 Cb -0.20 -4.17 -0.05 0.00 0.03 0.00 0.00 46.19 41.80 7yas s LEU 36 CO -0.04 -0.28 0.19 -1.81 0.23 0.00 0.00 176.35 174.63 7yas s ASP 37 N -2.44 6.19 0.94 2.29 1.01 -1.26 -3.21 116.67 120.19 7yas s ASP 37 Ca 0.55 0.21 -0.15 0.00 0.71 0.00 0.00 52.55 53.87 7yas s ASP 37 Cb -0.10 -2.12 0.18 0.00 1.01 0.00 0.00 42.92 41.89 7yas s ASP 37 CO 0.20 0.07 1.30 -0.76 0.21 0.00 0.00 175.17 176.19 7yas s LEU 38 N 0.93 2.68 0.32 1.23 1.43 -1.26 -4.73 118.68 119.28 7yas s LEU 38 Ca 0.10 0.35 -0.29 0.00 -1.03 0.00 0.00 54.13 53.25 7yas s LEU 38 Cb -0.13 -2.46 -0.12 0.00 0.03 0.00 0.00 46.19 43.51 7yas s LEU 38 CO 0.04 -2.60 1.50 0.00 0.23 0.00 0.00 176.35 175.51 7yas n ALA 39 N -3.70 2.14 -2.87 4.21 0.00 -0.66 -2.29 120.51 117.34 7yas n ALA 39 Ca 0.14 0.37 -0.20 0.00 0.00 0.00 0.00 53.44 53.75 7yas n ALA 39 Cb 0.60 -2.40 0.01 0.00 0.00 0.00 0.00 19.45 17.66 7yas n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 7yas n ALA 40 N 1.35 -0.90 -2.68 0.00 0.00 -1.26 -4.93 120.51 112.10 7yas n ALA 40 Ca 0.06 0.16 -0.19 0.00 0.00 0.00 0.00 53.44 53.47 7yas n ALA 40 Cb 0.37 -2.65 -0.12 0.00 0.00 0.00 0.00 19.45 17.04 7yas n ALA 40 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 7yas s SER 41 N -2.43 1.74 1.80 0.00 0.01 -0.97 -4.64 113.70 109.20 7yas s SER 41 Ca 0.20 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 56.89 7yas s SER 41 Cb -0.10 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.06 7yas s SER 41 CO 0.25 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.48 7yas n GLY 42 N 1.44 3.88 1.62 3.44 0.00 -1.22 -1.10 105.19 113.25 7yas n GLY 42 Ca -0.20 0.06 0.08 0.00 0.00 0.00 0.00 46.02 45.95 7yas n GLY 42 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 7yas n VAL 43 N 0.00 2.62 -1.80 1.61 0.24 -1.26 -4.96 118.33 114.78 7yas n VAL 43 Ca 0.00 -1.53 -0.41 0.00 -2.04 0.00 0.00 64.34 60.36 7yas n VAL 43 Cb 0.00 -0.26 -0.01 0.00 -1.47 0.00 0.00 33.84 32.10 7yas n VAL 43 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 7yas s ASP 44 N -1.10 6.40 0.28 -1.34 2.15 -0.26 -4.92 116.67 117.87 7yas s ASP 44 Ca 0.51 2.93 0.25 0.00 0.43 0.00 0.00 52.55 56.67 7yas s ASP 44 Cb 0.40 -2.64 0.98 0.00 -0.30 0.00 0.00 42.92 41.36 7yas s ASP 44 CO 0.14 -0.89 1.74 1.55 -0.17 0.00 0.00 175.17 177.54 7yas h PRO 45 N 4.69 0.00 -7.16 4.34 0.13 -1.93 -3.41 132.00 128.67 7yas h PRO 45 Ca -0.47 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.19 7yas h PRO 45 Cb 1.22 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.36 7yas h PRO 45 CO 0.78 0.00 0.37 1.03 -0.23 0.00 0.00 178.00 179.95 7yas s ARG 46 N -3.31 3.97 0.18 0.86 0.52 -1.26 -5.02 118.95 114.89 7yas s ARG 46 Ca 0.05 1.02 0.04 0.00 -0.52 0.00 0.00 55.73 56.31 7yas s ARG 46 Cb 0.10 -2.14 -0.03 0.00 0.52 0.00 0.00 34.95 33.39 7yas s ARG 46 CO 0.43 -0.25 0.27 -0.65 0.02 0.00 0.00 175.30 175.12 7yas s GLN 47 N -3.85 3.33 0.58 3.54 -1.52 -1.26 -4.04 119.66 116.44 7yas s GLN 47 Ca 0.60 -0.70 0.29 0.00 -1.95 0.00 0.00 55.36 53.60 7yas s GLN 47 Cb -0.10 -2.88 1.78 0.00 -0.22 0.00 0.00 33.01 31.59 7yas s GLN 47 CO 0.27 0.49 2.24 0.97 -0.25 0.00 0.00 175.29 179.01 7yas h ILE 48 N 1.58 0.54 0.00 1.08 6.09 -1.84 -2.04 117.51 122.93 7yas h ILE 48 Ca -0.49 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 62.94 7yas h ILE 48 Cb 1.21 1.04 0.00 0.00 0.47 0.00 0.00 36.82 39.53 7yas h ILE 48 CO 0.66 0.01 0.00 -0.33 -3.07 0.00 0.00 178.15 175.42 7yas h GLU 49 N 0.00 0.00 0.00 2.19 3.07 -1.96 -0.57 114.58 117.31 7yas h GLU 49 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 7yas h GLU 49 Cb 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 7yas h GLU 49 CO 0.00 0.00 -0.15 0.39 -1.40 0.00 0.00 179.01 177.86 7yas n GLU 50 N -2.48 0.18 -3.76 2.33 1.02 -0.77 -4.84 120.64 112.33 7yas n GLU 50 Ca 0.00 0.12 -0.36 0.00 -0.02 0.00 0.00 57.16 56.90 7yas n GLU 50 Cb 0.17 -1.68 -0.10 0.00 -0.02 0.00 0.00 31.44 29.81 7yas n GLU 50 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 7yas s ILE 51 N -3.08 5.04 -1.49 -3.67 -1.09 -0.22 -5.00 121.20 111.70 7yas s ILE 51 Ca 0.11 0.07 0.16 0.00 -2.23 0.00 0.00 60.65 58.76 7yas s ILE 51 Cb 0.15 -3.34 -0.00 0.00 -1.58 0.00 0.00 42.46 37.68 7yas s ILE 51 CO 0.61 0.36 0.86 0.61 -1.23 0.00 0.00 174.94 176.15 7yas n GLY 52 N 4.27 -0.04 3.59 6.18 0.00 -1.26 -4.95 105.19 112.97 7yas n GLY 52 Ca -0.15 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 7yas n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 7yas s SER 53 N -1.89 -0.39 0.45 1.61 1.04 -1.26 -4.99 113.70 108.27 7yas s SER 53 Ca 0.13 -0.20 0.12 0.00 0.48 0.00 0.00 55.95 56.48 7yas s SER 53 Cb 0.13 0.56 1.03 0.00 0.10 0.00 0.00 66.02 67.84 7yas s SER 53 CO 0.40 -0.96 2.06 0.15 0.98 0.00 0.00 173.24 175.87 7yas h PHE 54 N 2.00 0.20 -0.42 5.02 3.04 -1.89 -1.24 116.94 123.65 7yas h PHE 54 Ca -0.26 -0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.62 7yas h PHE 54 Cb 1.27 -0.06 -0.02 0.00 2.56 0.00 0.00 35.95 39.70 7yas h PHE 54 CO 0.30 0.18 0.03 -0.44 -2.02 0.00 0.00 178.31 176.37 7yas h ASP 55 N 0.21 0.70 -0.47 0.41 5.19 -1.97 -1.32 116.42 119.17 7yas h ASP 55 Ca 0.05 -0.29 -0.09 0.00 -0.62 0.00 0.00 57.03 56.08 7yas h ASP 55 Cb 0.09 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.39 7yas h ASP 55 CO -0.00 0.82 -0.04 -0.33 -3.12 0.00 0.00 179.24 176.57 7yas h GLU 56 N 0.57 0.91 -0.59 3.56 5.08 -1.85 -2.49 114.58 119.76 7yas h GLU 56 Ca 0.12 -0.28 0.02 0.00 -1.00 0.00 0.00 59.36 58.23 7yas h GLU 56 Cb 0.44 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 7yas h GLU 56 CO 0.02 0.92 0.39 -0.92 -1.00 0.00 0.00 179.01 178.42 7yas h TYR 57 N 0.83 0.69 0.00 4.33 3.20 -1.11 -2.06 116.97 122.84 7yas h TYR 57 Ca 0.15 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.04 7yas h TYR 57 Cb 0.54 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.58 7yas h TYR 57 CO 0.03 0.41 0.00 0.43 -1.64 0.00 0.00 178.16 177.39 7yas n SER 58 N -4.46 0.00 -0.19 -2.11 7.64 -0.51 -1.66 113.62 112.33 7yas n SER 58 Ca 0.07 -0.76 -0.01 0.00 1.01 0.00 0.00 58.87 59.18 7yas n SER 58 Cb 0.11 -0.07 0.07 0.00 -1.01 0.00 0.00 64.21 63.31 7yas n SER 58 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 7yas h GLU 59 N 0.00 0.06 -0.88 1.43 4.22 -1.29 -1.38 114.58 116.73 7yas h GLU 59 Ca 0.00 -0.00 0.16 0.00 0.08 0.00 0.00 59.36 59.59 7yas h GLU 59 Cb 0.06 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.23 7yas h GLU 59 CO 0.00 0.04 0.57 -1.35 -2.18 0.00 0.00 179.01 176.09 7yas h PRO 60 N 0.06 0.59 -0.20 0.92 0.11 -1.85 0.14 132.00 131.77 7yas h PRO 60 Ca 0.29 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.25 7yas h PRO 60 Cb 0.45 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.43 7yas h PRO 60 CO -0.53 0.39 -0.31 1.25 -0.21 0.00 0.00 178.00 178.59 7yas h LEU 61 N 0.61 0.63 -0.95 2.35 5.85 -1.60 -1.63 115.31 120.57 7yas h LEU 61 Ca 0.45 -0.52 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 7yas h LEU 61 Cb 0.83 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 7yas h LEU 61 CO -0.20 1.03 0.07 -0.07 -0.34 0.00 0.00 178.44 178.92 7yas h LEU 62 N 0.24 0.79 -0.41 2.25 3.38 -0.94 -1.32 115.31 119.30 7yas h LEU 62 Ca 0.02 -0.17 -0.14 0.00 0.09 0.00 0.00 57.88 57.68 7yas h LEU 62 Cb 0.89 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 7yas h LEU 62 CO 0.07 0.82 -0.28 0.74 0.09 0.00 0.00 178.44 179.88 7yas h THR 63 N 0.79 1.27 -0.09 0.22 2.02 -0.99 -0.93 112.91 115.21 7yas h THR 63 Ca 0.16 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 65.90 7yas h THR 63 Cb 0.38 1.29 -0.00 0.00 -1.74 0.00 0.00 68.15 68.08 7yas h THR 63 CO 0.01 0.49 0.06 0.15 0.37 0.00 0.00 175.52 176.60 7yas h PHE 64 N 0.75 0.12 -0.61 3.16 3.57 -1.01 -2.32 116.94 120.60 7yas h PHE 64 Ca 0.08 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 7yas h PHE 64 Cb 0.86 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.54 7yas h PHE 64 CO 0.06 0.10 0.15 -0.07 -2.23 0.00 0.00 178.31 176.32 7yas h LEU 65 N 0.11 0.89 -1.55 0.59 3.38 -1.10 -2.34 115.31 115.29 7yas h LEU 65 Ca 0.03 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 7yas h LEU 65 Cb 0.01 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 7yas h LEU 65 CO -0.01 0.87 0.26 -0.08 0.09 0.00 0.00 178.44 179.57 7yas h GLU 66 N 0.91 0.57 0.00 1.13 4.57 -0.99 -2.15 114.58 118.62 7yas h GLU 66 Ca 0.20 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 7yas h GLU 66 Cb 0.32 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 7yas h GLU 66 CO -0.00 0.39 0.00 0.00 -1.18 0.00 0.00 179.01 178.22 7yas n ALA 67 N -2.47 2.00 -2.20 2.92 0.00 -0.89 -4.76 120.51 115.11 7yas n ALA 67 Ca 0.03 -0.06 -0.42 0.00 0.00 0.00 0.00 53.44 52.99 7yas n ALA 67 Cb 0.07 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.13 7yas n ALA 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 7yas s LEU 68 N -3.20 4.34 0.60 0.00 1.43 -0.81 -5.01 118.68 116.03 7yas s LEU 68 Ca 0.10 2.19 -0.19 0.00 -1.03 0.00 0.00 54.13 55.20 7yas s LEU 68 Cb 0.14 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.75 7yas s LEU 68 CO 0.41 -0.71 1.17 -2.65 0.23 0.00 0.00 176.35 174.81 7yas n PRO 69 N 4.99 1.17 -1.58 1.29 -0.02 -1.26 -4.91 135.00 134.68 7yas n PRO 69 Ca 0.13 0.45 -0.52 0.00 -2.02 0.00 0.00 63.50 61.53 7yas n PRO 69 Cb 0.43 -2.39 -0.06 0.00 -0.02 0.00 0.00 33.50 31.47 7yas n PRO 69 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 7yas n PRO 70 N -1.29 1.03 0.00 0.52 -0.02 -1.26 -2.15 135.00 131.83 7yas n PRO 70 Ca 0.14 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 7yas n PRO 70 Cb 0.47 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 7yas n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 7yas n GLY 71 N 2.34 1.10 3.61 -1.23 0.00 -1.26 -5.04 105.19 104.72 7yas n GLY 71 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 7yas n GLY 71 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 7yas s GLU 72 N -0.76 4.00 0.08 1.61 2.02 -0.91 -5.06 118.70 119.68 7yas s GLU 72 Ca 0.00 0.39 0.04 0.00 0.02 0.00 0.00 54.97 55.42 7yas s GLU 72 Cb 0.00 -3.69 -0.04 0.00 0.10 0.00 0.00 34.13 30.50 7yas s GLU 72 CO 0.00 -0.49 0.00 0.15 0.02 0.00 0.00 175.26 174.94 7yas s LYS 73 N 2.53 2.58 0.21 1.61 1.02 -1.26 -4.73 119.74 121.71 7yas s LYS 73 Ca 0.25 -0.81 0.09 0.00 0.02 0.00 0.00 55.97 55.52 7yas s LYS 73 Cb -0.15 -2.56 -0.05 0.00 -0.52 0.00 0.00 37.83 34.55 7yas s LYS 73 CO 0.10 0.55 -0.16 0.14 -0.92 0.00 0.00 175.35 175.07 7yas s VAL 74 N -1.28 1.87 -0.29 3.17 -7.23 -0.07 -4.55 120.40 112.02 7yas s VAL 74 Ca 0.25 -2.22 -0.08 0.00 -1.81 0.00 0.00 61.98 58.12 7yas s VAL 74 Cb -0.12 -2.07 -0.01 0.00 0.56 0.00 0.00 36.38 34.75 7yas s VAL 74 CO 0.17 -0.54 0.10 -0.63 -0.31 0.00 0.00 175.10 173.90 7yas s ILE 75 N -2.81 4.31 0.24 -0.62 1.01 -0.21 -0.91 121.20 122.21 7yas s ILE 75 Ca 0.23 -0.44 -0.27 0.00 0.00 0.00 0.00 60.65 60.17 7yas s ILE 75 Cb -0.02 -3.15 -0.09 0.00 0.01 0.00 0.00 42.46 39.21 7yas s ILE 75 CO 0.08 0.15 0.89 -0.76 0.00 0.00 0.00 174.94 175.30 7yas s LEU 76 N 1.58 4.54 -0.18 2.97 1.43 -0.65 -1.23 118.68 127.14 7yas s LEU 76 Ca 0.04 1.81 -0.02 0.00 -1.03 0.00 0.00 54.13 54.94 7yas s LEU 76 Cb -0.17 -3.63 0.05 0.00 0.03 0.00 0.00 46.19 42.47 7yas s LEU 76 CO 0.04 0.11 -0.00 -0.69 0.23 0.00 0.00 176.35 176.04 7yas s VAL 77 N -1.30 0.79 -0.09 -1.59 1.01 -0.28 -0.41 120.40 118.53 7yas s VAL 77 Ca 0.42 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.86 7yas s VAL 77 Cb -0.23 -1.14 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 7yas s VAL 77 CO 0.28 -0.05 -0.20 -0.83 0.00 0.00 0.00 175.10 174.30 7yas s GLY 78 N 1.75 1.40 -0.03 4.51 0.00 -0.17 -0.21 107.32 114.58 7yas s GLY 78 Ca -0.00 -0.97 -0.01 0.00 0.00 0.00 0.00 44.72 43.73 7yas s GLY 78 CO -0.07 -0.44 0.07 -1.83 0.00 0.00 0.00 173.10 170.83 7yas s GLU 79 N 0.06 3.08 2.15 2.90 -1.05 -0.76 -0.96 118.70 124.13 7yas s GLU 79 Ca -0.08 -0.45 0.00 0.00 -0.15 0.00 0.00 54.97 54.29 7yas s GLU 79 Cb -0.15 -2.87 0.00 0.00 -0.44 0.00 0.00 34.13 30.67 7yas s GLU 79 CO 0.05 0.67 0.00 0.45 0.95 0.00 0.00 175.26 177.38 7yas n SER 80 N 1.39 0.00 0.00 0.83 2.88 -0.84 -0.79 113.62 117.09 7yas n SER 80 Ca -0.14 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.50 7yas n SER 80 Cb 0.53 0.00 0.52 0.00 -0.75 0.00 0.00 64.21 64.51 7yas n SER 80 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 7yas h GLY 82 N 3.48 0.00 1.55 0.00 0.00 -1.14 -2.08 103.07 104.90 7yas h GLY 82 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.39 7yas h GLY 82 CO 0.00 0.00 0.17 -1.33 0.00 0.00 0.00 176.54 175.38 7yas h GLY 83 N 0.00 0.00 1.38 4.60 0.00 -1.72 -1.32 103.07 106.01 7yas h GLY 83 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.19 7yas h GLY 83 CO -0.00 0.00 -0.77 1.41 0.00 0.00 0.00 176.54 177.18 7yas h LEU 84 N 0.00 0.72 -1.09 3.11 3.38 -1.61 -1.93 115.31 117.90 7yas h LEU 84 Ca 0.10 -0.48 -0.06 0.00 0.09 0.00 0.00 57.88 57.53 7yas h LEU 84 Cb 0.43 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 7yas h LEU 84 CO -0.00 1.25 0.01 0.78 0.09 0.00 0.00 178.44 180.57 7yas h ASN 85 N 0.41 0.62 -0.32 -0.43 4.21 -1.42 -1.99 115.58 116.65 7yas h ASN 85 Ca -0.05 -0.13 -0.00 0.00 1.21 0.00 0.00 56.30 57.33 7yas h ASN 85 Cb 1.38 -0.16 -0.02 0.00 -1.12 0.00 0.00 38.32 38.40 7yas h ASN 85 CO 0.15 0.68 0.18 0.40 -1.29 0.00 0.00 177.43 177.55 7yas h ILE 86 N 0.62 1.13 -0.79 2.81 2.04 -1.15 -1.20 117.51 120.98 7yas h ILE 86 Ca 0.13 -0.32 -0.05 0.00 1.00 0.00 0.00 64.86 65.62 7yas h ILE 86 Cb 0.37 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 7yas h ILE 86 CO 0.01 0.13 0.31 0.00 0.00 0.00 0.00 178.15 178.60 7yas h ALA 87 N 1.05 1.06 -0.19 1.87 0.00 -1.04 -0.23 119.26 121.78 7yas h ALA 87 Ca 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 7yas h ALA 87 Cb 0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 7yas h ALA 87 CO -0.02 0.66 0.06 0.82 0.00 0.00 0.00 179.25 180.78 7yas h ILE 88 N 1.15 1.18 -0.78 0.00 2.04 -1.27 -2.81 117.51 117.02 7yas h ILE 88 Ca 0.26 -0.57 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 7yas h ILE 88 Cb 0.22 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 7yas h ILE 88 CO -0.02 0.18 0.38 0.00 0.00 0.00 0.00 178.15 178.69 7yas h ALA 89 N 0.89 1.19 0.00 1.87 0.00 -0.99 -2.88 119.26 119.33 7yas h ALA 89 Ca 0.06 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 7yas h ALA 89 Cb 0.22 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 7yas h ALA 89 CO -0.00 0.62 -0.19 0.00 0.00 0.00 0.00 179.25 179.68 7yas h ALA 90 N 1.30 1.33 -0.00 0.00 0.00 -0.90 0.65 119.26 121.64 7yas h ALA 90 Ca 0.27 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.01 7yas h ALA 90 Cb 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.87 7yas h ALA 90 CO -0.04 0.23 -0.00 -0.25 0.00 0.00 0.00 179.25 179.19 7yas n ASP 91 N -3.80 0.20 -0.00 0.00 8.00 -1.07 -2.46 116.55 117.42 7yas n ASP 91 Ca -0.02 -0.97 -0.00 0.00 0.71 0.00 0.00 54.79 54.51 7yas n ASP 91 Cb 0.29 -0.03 -0.00 0.00 -0.02 0.00 0.00 41.12 41.36 7yas n ASP 91 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 7yas n LYS 92 N -0.88 3.77 -2.77 -1.24 4.01 -0.75 -4.90 118.16 115.40 7yas n LYS 92 Ca 0.22 -0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.02 7yas n LYS 92 Cb 0.16 -1.01 0.05 0.00 -0.51 0.00 0.00 35.03 33.72 7yas n LYS 92 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 7yas n TYR 93 N -2.03 1.20 0.00 2.13 4.01 0.15 -4.93 117.16 117.69 7yas n TYR 93 Ca -0.01 -2.06 0.13 0.00 -0.16 0.00 0.00 57.90 55.81 7yas n TYR 93 Cb 0.51 -0.23 0.58 0.00 -0.31 0.00 0.00 39.34 39.89 7yas n TYR 93 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 7yas h GLU 95 N 0.23 0.00 -0.01 0.00 -0.00 -1.91 -2.24 114.58 110.64 7yas h GLU 95 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.58 7yas h GLU 95 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.31 7yas h GLU 95 CO -0.04 0.10 -0.02 1.63 -0.00 0.00 0.00 179.01 180.68 7yas n LYS 96 N -3.72 1.54 -3.78 1.06 5.02 -0.48 -4.81 118.16 112.99 7yas n LYS 96 Ca -0.02 -0.83 -0.37 0.00 -2.02 0.00 0.00 58.31 55.06 7yas n LYS 96 Cb 0.21 -1.48 -0.13 0.00 -0.02 0.00 0.00 35.03 33.61 7yas n LYS 96 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 7yas s ILE 97 N -2.04 3.71 0.22 -0.18 1.01 -0.85 -0.89 121.20 122.18 7yas s ILE 97 Ca 0.38 -1.07 -0.04 0.00 0.00 0.00 0.00 60.65 59.92 7yas s ILE 97 Cb 0.21 -3.06 0.04 0.00 0.01 0.00 0.00 42.46 39.66 7yas s ILE 97 CO 0.35 -0.11 1.64 0.00 0.00 0.00 0.00 174.94 176.82 7yas h ALA 98 N 8.19 0.91 -1.81 9.38 0.00 -1.32 -3.46 119.26 131.15 7yas h ALA 98 Ca -0.25 -0.37 0.22 0.00 0.00 0.00 0.00 54.91 54.51 7yas h ALA 98 Cb 1.09 -0.15 -0.15 0.00 0.00 0.00 0.00 17.79 18.58 7yas h ALA 98 CO 0.59 0.62 0.68 0.00 0.00 0.00 0.00 179.25 181.15 7yas s ALA 99 N -4.60 -1.98 -0.06 0.00 0.00 -1.25 -4.52 121.76 109.35 7yas s ALA 99 Ca -0.09 1.08 0.03 0.00 0.00 0.00 0.00 51.96 52.98 7yas s ALA 99 Cb 0.13 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.48 7yas s ALA 99 CO 0.83 -0.76 -0.16 0.00 0.00 0.00 0.00 175.76 175.67 7yas s ALA 100 N -2.73 1.52 -0.18 0.00 0.00 0.19 -1.64 121.76 118.92 7yas s ALA 100 Ca 0.09 -0.61 -0.02 0.00 0.00 0.00 0.00 51.96 51.42 7yas s ALA 100 Cb 0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 23.12 22.52 7yas s ALA 100 CO -0.05 0.20 -0.08 0.08 0.00 0.00 0.00 175.76 175.92 7yas s VAL 101 N 0.38 3.30 -0.21 0.00 1.01 0.45 -1.03 120.40 124.30 7yas s VAL 101 Ca -0.12 -0.55 -0.10 0.00 0.00 0.00 0.00 61.98 61.22 7yas s VAL 101 Cb -0.15 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 7yas s VAL 101 CO 0.04 0.47 0.14 -0.36 0.00 0.00 0.00 175.10 175.39 7yas s PHE 102 N 0.92 3.37 -0.35 5.22 0.40 0.13 -1.00 117.98 126.67 7yas s PHE 102 Ca -0.01 0.29 0.03 0.00 -0.60 0.00 0.00 56.93 56.63 7yas s PHE 102 Cb -0.15 -2.19 0.10 0.00 0.51 0.00 0.00 43.02 41.30 7yas s PHE 102 CO 0.00 0.22 0.08 -1.58 0.70 0.00 0.00 175.22 174.64 7yas s HIS 103 N 0.57 3.17 -1.56 0.36 2.46 -0.13 -0.40 115.29 119.75 7yas s HIS 103 Ca 0.08 -2.70 -0.03 0.00 0.47 0.00 0.00 55.06 52.87 7yas s HIS 103 Cb -0.12 -2.60 0.03 0.00 -0.13 0.00 0.00 32.58 29.77 7yas s HIS 103 CO 0.00 -0.91 0.19 0.09 -2.47 0.00 0.00 174.74 171.64 7yas n ASN 104 N 4.28 0.20 -4.56 9.88 3.02 -0.26 -1.99 115.26 125.83 7yas n ASN 104 Ca 0.03 -1.21 -0.29 0.00 -0.03 0.00 0.00 54.58 53.09 7yas n ASN 104 Cb 0.41 -1.96 -0.10 0.00 -0.61 0.00 0.00 39.78 37.52 7yas n ASN 104 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 7yas s SER 105 N -4.22 4.25 0.45 6.41 0.15 -1.26 -2.35 113.70 117.13 7yas s SER 105 Ca 0.12 -0.49 -0.25 0.00 0.70 0.00 0.00 55.95 56.03 7yas s SER 105 Cb -0.07 -0.74 -0.08 0.00 -1.71 0.00 0.00 66.02 63.42 7yas s SER 105 CO 0.98 0.15 1.43 0.68 1.20 0.00 0.00 173.24 177.68 7yas s VAL 106 N -1.38 2.06 -0.47 4.45 -7.23 -0.32 -4.90 120.40 112.63 7yas s VAL 106 Ca 0.22 0.06 0.03 0.00 -1.81 0.00 0.00 61.98 60.48 7yas s VAL 106 Cb -0.10 -3.03 0.13 0.00 0.56 0.00 0.00 36.38 33.94 7yas s VAL 106 CO 0.14 0.01 0.24 -0.22 -0.31 0.00 0.00 175.10 174.95 7yas s LEU 107 N -2.70 3.37 0.87 1.32 2.96 -1.26 -4.17 118.68 119.08 7yas s LEU 107 Ca 0.61 -2.75 -0.11 0.00 -0.22 0.00 0.00 54.13 51.65 7yas s LEU 107 Cb -0.44 -1.29 0.12 0.00 0.50 0.00 0.00 46.19 45.09 7yas s LEU 107 CO 0.57 -0.26 1.15 -2.84 -1.32 0.00 0.00 176.35 173.65 7yas s PRO 108 N 0.13 1.28 0.00 0.98 0.02 -1.26 -4.89 135.00 131.26 7yas s PRO 108 Ca 0.17 1.56 0.00 0.00 0.02 0.00 0.00 61.00 62.75 7yas s PRO 108 Cb -0.25 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.52 7yas s PRO 108 CO -0.00 -2.44 0.00 -0.40 -0.33 0.00 0.00 177.00 173.83 7yas n ASP 109 N -3.95 1.47 -0.00 2.53 5.68 -1.26 -5.02 116.55 115.99 7yas n ASP 109 Ca 0.12 -0.86 0.03 0.00 -0.50 0.00 0.00 54.79 53.59 7yas n ASP 109 Cb 0.52 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.45 7yas n ASP 109 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 7yas n THR 110 N 0.00 0.00 0.05 2.12 -2.24 -1.26 -4.37 114.28 108.59 7yas n THR 110 Ca 0.00 -0.27 -0.06 0.00 -2.27 0.00 0.00 64.05 61.45 7yas n THR 110 Cb 0.00 0.74 -0.11 0.00 -2.10 0.00 0.00 70.33 68.86 7yas n THR 110 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 7yas h GLU 111 N 0.00 0.00 -5.88 -0.78 4.57 -1.98 -3.44 114.58 107.07 7yas h GLU 111 Ca 0.00 0.00 -0.61 0.00 -1.18 0.00 0.00 59.36 57.57 7yas h GLU 111 Cb 0.22 0.00 -0.12 0.00 -0.16 0.00 0.00 28.75 28.69 7yas h GLU 111 CO 0.00 0.89 -0.62 -1.01 -1.18 0.00 0.00 179.01 177.09 7yas s HIS 112 N -2.72 2.50 0.84 0.92 3.76 -1.26 -5.13 115.29 114.20 7yas s HIS 112 Ca 0.00 -0.54 -0.11 0.00 -0.15 0.00 0.00 55.06 54.26 7yas s HIS 112 Cb 0.10 -1.59 0.10 0.00 1.11 0.00 0.00 32.58 32.30 7yas s HIS 112 CO 0.82 0.47 1.15 0.00 -0.85 0.00 0.00 174.74 176.33 7yas h PRO 114 N -1.35 0.00 -0.00 0.00 0.11 -1.79 -1.86 132.00 127.10 7yas h PRO 114 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 7yas h PRO 114 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 7yas h PRO 114 CO 0.45 0.00 -0.14 -1.13 -0.21 0.00 0.00 178.00 176.97 7yas n SER 115 N -3.62 0.39 -0.21 -2.05 3.41 -1.24 -4.56 113.62 105.75 7yas n SER 115 Ca 0.01 -0.35 -0.02 0.00 -0.26 0.00 0.00 58.87 58.25 7yas n SER 115 Cb 0.33 -0.10 0.04 0.00 -0.26 0.00 0.00 64.21 64.22 7yas n SER 115 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 7yas h TYR 116 N 0.39 -0.57 0.00 7.33 3.20 -1.67 -0.35 116.97 125.30 7yas h TYR 116 Ca 0.00 0.06 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 7yas h TYR 116 Cb 0.40 0.34 -0.01 0.00 1.54 0.00 0.00 36.73 39.00 7yas h TYR 116 CO 0.00 -0.32 -0.29 -0.39 -1.64 0.00 0.00 178.16 175.51 7yas h VAL 117 N -0.07 0.59 -0.17 1.81 -1.51 -1.84 -2.23 116.25 112.83 7yas h VAL 117 Ca 0.28 -1.49 -0.16 0.00 -1.23 0.00 0.00 66.70 64.10 7yas h VAL 117 Cb 0.51 2.03 0.00 0.00 -2.13 0.00 0.00 31.29 31.70 7yas h VAL 117 CO -0.67 0.29 -0.51 0.58 -1.23 0.00 0.00 177.57 176.03 7yas h VAL 118 N 0.00 1.33 -0.84 7.19 2.07 -1.63 0.64 116.25 125.01 7yas h VAL 118 Ca -0.00 -1.76 0.01 0.00 0.82 0.00 0.00 66.70 65.77 7yas h VAL 118 Cb 1.00 1.98 -0.04 0.00 -1.52 0.00 0.00 31.29 32.70 7yas h VAL 118 CO 0.04 0.55 0.55 0.44 0.02 0.00 0.00 177.57 179.17 7yas h ASP 119 N 0.31 0.96 -0.18 0.57 3.32 -0.98 -1.05 116.42 119.36 7yas h ASP 119 Ca -0.02 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 56.87 7yas h ASP 119 Cb 1.13 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 7yas h ASP 119 CO 0.11 0.69 -0.39 0.50 -1.72 0.00 0.00 179.24 178.43 7yas h LYS 120 N 1.13 0.71 -0.92 3.56 1.63 -1.32 -2.74 116.57 118.62 7yas h LYS 120 Ca 0.31 -0.36 -0.00 0.00 -0.85 0.00 0.00 60.65 59.75 7yas h LYS 120 Cb -0.11 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.48 7yas h LYS 120 CO -0.07 0.98 0.57 1.25 -3.45 0.00 0.00 179.45 178.72 7yas h LEU 121 N 0.59 1.10 -1.51 5.20 5.85 -0.19 -2.30 115.31 124.04 7yas h LEU 121 Ca 0.05 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 7yas h LEU 121 Cb 0.92 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 7yas h LEU 121 CO 0.08 0.83 -0.24 0.24 -0.34 0.00 0.00 178.44 179.02 7yas h MET 122 N 1.26 0.00 -0.20 1.25 2.86 -1.04 0.12 114.93 119.19 7yas h MET 122 Ca 0.33 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.85 7yas h MET 122 Cb -0.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.59 7yas h MET 122 CO -0.06 0.24 -0.35 0.93 1.06 0.00 0.00 176.91 178.73 7yas h GLU 123 N 0.00 0.59 0.00 1.72 5.08 -1.13 -2.95 114.58 117.88 7yas h GLU 123 Ca -0.00 -0.37 -0.20 0.00 -1.00 0.00 0.00 59.36 57.79 7yas h GLU 123 Cb 0.53 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 7yas h GLU 123 CO 0.03 0.98 -0.88 0.28 -1.00 0.00 0.00 179.01 178.41 7yas h VAL 124 N 0.26 1.49 -2.65 3.13 2.07 -1.05 -3.38 116.25 116.12 7yas h VAL 124 Ca 0.01 -2.61 -0.60 0.00 0.82 0.00 0.00 66.70 64.32 7yas h VAL 124 Cb 0.94 2.46 -0.40 0.00 -1.52 0.00 0.00 31.29 32.77 7yas h VAL 124 CO 0.08 0.76 -0.80 0.33 0.02 0.00 0.00 177.57 177.96 7yas n PHE 125 N -3.66 0.98 0.15 1.57 7.35 0.39 -4.98 117.46 119.26 7yas n PHE 125 Ca -0.04 -3.76 0.07 0.00 -0.76 0.00 0.00 57.45 52.96 7yas n PHE 125 Cb 0.81 -0.15 0.05 0.00 0.35 0.00 0.00 39.48 40.54 7yas n PHE 125 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 7yas h PRO 126 N 5.44 0.00 -4.60 -7.13 0.13 -1.71 -3.41 132.00 120.72 7yas h PRO 126 Ca 0.21 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.64 7yas h PRO 126 Cb 0.83 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 31.71 7yas h PRO 126 CO 0.53 0.22 -0.54 0.34 -0.23 0.00 0.00 178.00 178.33 7yas s ASP 127 N -6.10 5.62 -0.27 1.44 2.15 -1.26 -4.94 116.67 113.30 7yas s ASP 127 Ca 0.03 -1.08 0.09 0.00 0.43 0.00 0.00 52.55 52.02 7yas s ASP 127 Cb 0.07 -1.98 0.67 0.00 -0.30 0.00 0.00 42.92 41.38 7yas s ASP 127 CO 0.74 -0.38 1.66 0.79 -0.17 0.00 0.00 175.17 177.80 7yas n TRP 128 N 4.94 2.12 0.00 -5.34 7.02 -1.26 -5.02 117.44 119.90 7yas n TRP 128 Ca -0.12 -1.00 0.00 0.00 -1.02 0.00 0.00 57.50 55.36 7yas n TRP 128 Cb 0.45 -0.60 0.00 0.00 -2.42 0.00 0.00 31.31 28.74 7yas n TRP 128 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 7yas n LYS 129 N 0.02 0.00 -0.18 -0.99 5.02 -1.26 -2.00 118.16 118.77 7yas n LYS 129 Ca 0.34 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.67 7yas n LYS 129 Cb 1.24 0.00 0.13 0.00 -0.02 0.00 0.00 35.03 36.37 7yas n LYS 129 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 7yas n ASP 130 N 6.12 1.72 -4.74 4.39 5.75 -1.26 -4.92 116.55 123.60 7yas n ASP 130 Ca 0.00 -2.07 -0.42 0.00 -0.01 0.00 0.00 54.79 52.29 7yas n ASP 130 Cb 0.00 -0.26 -0.02 0.00 -1.03 0.00 0.00 41.12 39.81 7yas n ASP 130 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 7yas s THR 131 N -1.64 2.15 0.14 2.12 2.01 -0.85 -4.23 115.64 115.35 7yas s THR 131 Ca 0.18 0.12 0.04 0.00 0.31 0.00 0.00 61.69 62.35 7yas s THR 131 Cb 0.11 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 7yas s THR 131 CO 0.11 0.02 0.16 0.42 -0.69 0.00 0.00 174.62 174.63 7yas s THR 132 N 0.23 4.67 0.13 -0.82 -4.23 -0.78 -4.85 115.64 109.99 7yas s THR 132 Ca 0.65 -0.94 0.07 0.00 -1.18 0.00 0.00 61.69 60.29 7yas s THR 132 Cb -0.47 -3.37 -0.04 0.00 1.34 0.00 0.00 72.50 69.96 7yas s THR 132 CO 0.44 -0.06 -0.16 -0.31 -0.54 0.00 0.00 174.62 173.99 7yas s TYR 133 N -1.68 1.58 0.24 3.99 2.02 -1.26 -1.25 117.35 120.99 7yas s TYR 133 Ca 0.31 -0.50 -0.12 0.00 -0.37 0.00 0.00 57.07 56.39 7yas s TYR 133 Cb -0.11 -0.82 -0.01 0.00 -0.40 0.00 0.00 41.96 40.62 7yas s TYR 133 CO 0.24 0.21 0.45 -0.59 -1.57 0.00 0.00 175.55 174.30 7yas s PHE 134 N -1.91 0.42 0.06 2.71 -0.71 -0.71 -4.98 117.98 112.86 7yas s PHE 134 Ca 0.10 -0.78 0.04 0.00 -1.04 0.00 0.00 56.93 55.26 7yas s PHE 134 Cb -0.06 0.14 -0.03 0.00 -1.21 0.00 0.00 43.02 41.86 7yas s PHE 134 CO 0.04 -0.97 -0.12 0.95 -1.34 0.00 0.00 175.22 173.79 7yas s THR 135 N -4.02 0.89 0.13 -4.49 -4.23 -1.26 -0.31 115.64 102.35 7yas s THR 135 Ca 0.24 -1.18 -0.05 0.00 -1.18 0.00 0.00 61.69 59.51 7yas s THR 135 Cb -0.00 -0.88 -0.02 0.00 1.34 0.00 0.00 72.50 72.93 7yas s THR 135 CO 0.09 -0.26 0.15 -0.72 -0.54 0.00 0.00 174.62 173.34 7yas s TYR 136 N -1.26 0.55 -0.12 3.99 -0.85 -0.68 -4.96 117.35 114.01 7yas s TYR 136 Ca -0.05 -0.95 -0.00 0.00 -0.52 0.00 0.00 57.07 55.55 7yas s TYR 136 Cb -0.10 -0.25 -0.02 0.00 0.38 0.00 0.00 41.96 41.97 7yas s TYR 136 CO 0.01 -0.58 -0.10 0.99 -1.52 0.00 0.00 175.55 174.35 7yas s THR 137 N -3.98 3.38 -0.11 -3.49 2.01 -1.26 -0.89 115.64 111.30 7yas s THR 137 Ca 0.17 -0.56 -0.05 0.00 0.31 0.00 0.00 61.69 61.56 7yas s THR 137 Cb 0.06 -2.42 0.05 0.00 0.01 0.00 0.00 72.50 70.20 7yas s THR 137 CO -0.02 0.54 0.25 -0.75 -0.69 0.00 0.00 174.62 173.94 7yas s LYS 138 N 0.01 0.18 -1.44 4.92 2.36 -0.24 -4.90 119.74 120.64 7yas s LYS 138 Ca -0.02 0.58 -0.02 0.00 -2.55 0.00 0.00 55.97 53.95 7yas s LYS 138 Cb -0.14 -0.11 0.02 0.00 -1.05 0.00 0.00 37.83 36.55 7yas s LYS 138 CO 0.04 -0.20 0.48 -0.25 1.55 0.00 0.00 175.35 176.97 7yas n ASP 139 N 4.53 -0.77 0.00 1.43 8.00 -1.26 -1.57 116.55 126.90 7yas n ASP 139 Ca -0.20 -0.99 0.00 0.00 0.71 0.00 0.00 54.79 54.31 7yas n ASP 139 Cb 0.52 -3.09 0.00 0.00 -0.02 0.00 0.00 41.12 38.53 7yas n ASP 139 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 7yas n GLY 140 N -1.90 0.54 3.31 0.44 0.00 -1.26 -5.01 105.19 101.30 7yas n GLY 140 Ca -0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 7yas n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 7yas s LYS 141 N -0.31 1.85 -0.35 1.61 1.02 -0.61 -5.09 119.74 117.85 7yas s LYS 141 Ca 0.00 -0.99 -0.24 0.00 0.02 0.00 0.00 55.97 54.76 7yas s LYS 141 Cb 0.00 -1.90 0.01 0.00 -0.52 0.00 0.00 37.83 35.42 7yas s LYS 141 CO 0.00 0.51 0.84 -2.00 -0.92 0.00 0.00 175.35 173.78 7yas s GLU 142 N -0.92 3.83 -0.12 1.68 2.12 -1.26 -1.08 118.70 122.94 7yas s GLU 142 Ca 0.10 0.47 -0.04 0.00 0.36 0.00 0.00 54.97 55.86 7yas s GLU 142 Cb -0.10 -3.79 -0.03 0.00 0.26 0.00 0.00 34.13 30.47 7yas s GLU 142 CO 0.01 -0.85 0.02 0.42 -0.54 0.00 0.00 175.26 174.31 7yas s ILE 143 N 3.21 4.42 -0.31 -3.70 1.01 -0.07 -4.96 121.20 120.80 7yas s ILE 143 Ca 0.34 -0.19 -0.18 0.00 0.00 0.00 0.00 60.65 60.62 7yas s ILE 143 Cb -0.13 -2.91 -0.01 0.00 0.01 0.00 0.00 42.46 39.42 7yas s ILE 143 CO 0.17 0.56 0.53 -0.89 0.00 0.00 0.00 174.94 175.30 7yas s THR 144 N -0.44 5.02 0.40 2.92 2.01 -1.26 -1.69 115.64 122.61 7yas s THR 144 Ca 0.08 0.59 0.01 0.00 0.31 0.00 0.00 61.69 62.68 7yas s THR 144 Cb -0.12 -3.92 -0.01 0.00 0.01 0.00 0.00 72.50 68.46 7yas s THR 144 CO 0.02 -0.11 0.60 -0.83 -0.69 0.00 0.00 174.62 173.62 7yas s GLY 145 N 1.68 1.50 0.03 4.40 0.00 0.58 -4.36 107.32 111.16 7yas s GLY 145 Ca 0.20 -1.07 -0.09 0.00 0.00 0.00 0.00 44.72 43.76 7yas s GLY 145 CO 0.12 -0.95 0.19 0.48 0.00 0.00 0.00 173.10 172.94 7yas s LEU 146 N -4.43 1.38 -0.17 0.66 2.34 -0.08 -1.73 118.68 116.65 7yas s LEU 146 Ca 0.45 -0.34 -0.00 0.00 0.06 0.00 0.00 54.13 54.30 7yas s LEU 146 Cb -0.10 0.93 0.04 0.00 -0.56 0.00 0.00 46.19 46.50 7yas s LEU 146 CO 0.36 -0.53 -0.06 -0.75 -1.06 0.00 0.00 176.35 174.30 7yas s LYS 147 N -2.41 1.56 0.08 1.48 2.20 -0.38 -1.11 119.74 121.16 7yas s LYS 147 Ca -0.06 -0.55 -0.34 0.00 -0.36 0.00 0.00 55.97 54.66 7yas s LYS 147 Cb -0.02 -2.04 -0.13 0.00 -1.51 0.00 0.00 37.83 34.13 7yas s LYS 147 CO -0.03 -0.41 1.70 1.28 -0.36 0.00 0.00 175.35 177.52 7yas n LEU 148 N 4.85 3.32 -4.77 5.43 4.77 -1.26 -1.86 117.00 127.47 7yas n LEU 148 Ca -0.12 1.04 -0.37 0.00 -0.03 0.00 0.00 56.01 56.52 7yas n LEU 148 Cb 0.48 -1.43 -0.01 0.00 -2.33 0.00 0.00 43.42 40.13 7yas n LEU 148 CO 0.17 -0.16 0.84 -0.83 -1.33 0.00 0.00 177.39 176.08 7yas s GLY 149 N 2.03 2.81 0.36 -0.72 0.00 -1.26 -4.85 107.32 105.69 7yas s GLY 149 Ca 0.83 0.97 0.08 0.00 0.00 0.00 0.00 44.72 46.61 7yas s GLY 149 CO 0.42 1.45 1.87 0.74 0.00 0.00 0.00 173.10 177.58 7yas h PHE 150 N 2.17 0.31 -0.21 1.90 0.04 -1.92 0.76 116.94 119.99 7yas h PHE 150 Ca -0.49 -0.04 -0.18 0.00 2.80 0.00 0.00 57.97 60.05 7yas h PHE 150 Cb 1.25 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 39.31 7yas h PHE 150 CO 0.53 0.44 -0.61 1.15 -0.60 0.00 0.00 178.31 179.22 7yas h THR 151 N 0.27 1.30 -0.59 -1.55 2.02 -1.94 -0.48 112.91 111.94 7yas h THR 151 Ca 0.05 -1.84 -0.02 0.00 0.77 0.00 0.00 66.41 65.37 7yas h THR 151 Cb 0.43 1.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.60 7yas h THR 151 CO 0.03 0.58 0.29 0.25 0.37 0.00 0.00 175.52 177.04 7yas h LEU 152 N 0.53 0.77 -0.21 2.58 5.85 -1.74 0.35 115.31 123.45 7yas h LEU 152 Ca -0.00 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.60 7yas h LEU 152 Cb 1.19 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 7yas h LEU 152 CO 0.12 0.68 0.12 -0.07 -0.34 0.00 0.00 178.44 178.96 7yas h LEU 153 N 0.81 0.20 -0.40 2.25 4.07 -0.75 -0.44 115.31 121.05 7yas h LEU 153 Ca 0.20 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 58.10 7yas h LEU 153 Cb 0.11 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 7yas h LEU 153 CO -0.03 0.15 0.01 -0.09 -1.08 0.00 0.00 178.44 177.40 7yas h ARG 154 N 0.25 0.69 0.06 1.13 9.65 -0.72 0.51 114.38 125.95 7yas h ARG 154 Ca 0.08 -0.21 -0.34 0.00 -1.10 0.00 0.00 59.98 58.41 7yas h ARG 154 Cb -0.01 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 28.47 7yas h ARG 154 CO -0.04 0.77 -1.95 0.39 2.80 0.00 0.00 179.97 181.95 7yas n GLU 155 N -4.46 0.70 -0.06 0.20 1.02 0.08 -3.16 120.64 114.96 7yas n GLU 155 Ca -0.01 0.25 -0.07 0.00 -0.02 0.00 0.00 57.16 57.31 7yas n GLU 155 Cb 0.28 -1.71 -0.09 0.00 -0.02 0.00 0.00 31.44 29.89 7yas n GLU 155 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 7yas n ASN 156 N -3.25 2.27 -0.09 1.62 4.13 -0.20 -4.29 115.26 115.44 7yas n ASN 156 Ca -0.27 -0.01 -0.17 0.00 1.68 0.00 0.00 54.58 55.80 7yas n ASN 156 Cb 1.05 0.60 -0.13 0.00 -1.54 0.00 0.00 39.78 39.76 7yas n ASN 156 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 7yas n LEU 157 N -2.52 2.33 -1.11 3.41 4.32 -1.07 -3.61 117.00 118.75 7yas n LEU 157 Ca -0.20 -0.01 -0.04 0.00 -0.02 0.00 0.00 56.01 55.74 7yas n LEU 157 Cb 0.86 -0.68 0.16 0.00 -1.62 0.00 0.00 43.42 42.14 7yas n LEU 157 CO 0.23 0.82 0.45 -1.22 -1.22 0.00 0.00 177.39 176.45 7yas n TYR 158 N -3.22 0.97 -0.36 -1.77 4.02 0.16 -3.19 117.16 113.78 7yas n TYR 158 Ca -0.39 -1.73 0.02 0.00 -0.01 0.00 0.00 57.90 55.79 7yas n TYR 158 Cb 1.03 -0.37 0.09 0.00 -0.02 0.00 0.00 39.34 40.07 7yas n TYR 158 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 7yas h THR 159 N 1.25 0.03 -0.39 -0.72 2.02 -1.73 -1.42 112.91 111.94 7yas h THR 159 Ca 0.16 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.34 7yas h THR 159 Cb 1.29 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 7yas h THR 159 CO 0.31 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.38 7yas n LEU 160 N -5.54 3.32 -4.81 2.58 4.77 -1.26 -4.94 117.00 111.12 7yas n LEU 160 Ca 0.13 -2.21 -0.32 0.00 -0.03 0.00 0.00 56.01 53.58 7yas n LEU 160 Cb 0.44 -0.33 0.02 0.00 -2.33 0.00 0.00 43.42 41.22 7yas n LEU 160 CO -0.11 0.75 0.71 0.00 -1.33 0.00 0.00 177.39 177.41 7yas s GLY 162 N -3.07 1.67 0.50 0.00 0.00 -1.26 -4.79 107.32 100.37 7yas s GLY 162 Ca 0.62 0.30 0.15 0.00 0.00 0.00 0.00 44.72 45.78 7yas s GLY 162 CO 0.42 0.69 2.13 -0.56 0.00 0.00 0.00 173.10 175.77 7yas h PRO 163 N -1.42 0.09 0.00 2.90 0.13 -1.97 -1.28 132.00 130.44 7yas h PRO 163 Ca -0.45 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.61 7yas h PRO 163 Cb 1.25 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 7yas h PRO 163 CO 0.49 0.06 -0.34 1.05 -0.23 0.00 0.00 178.00 179.03 7yas h GLU 164 N 0.09 0.00 0.20 0.86 9.09 -1.99 0.67 114.58 123.49 7yas h GLU 164 Ca 0.04 0.00 -0.28 0.00 0.05 0.00 0.00 59.36 59.17 7yas h GLU 164 Cb 0.04 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.17 7yas h GLU 164 CO -0.01 0.34 -1.25 0.93 0.05 0.00 0.00 179.01 179.08 7yas h GLU 165 N 0.00 0.41 -0.36 1.06 5.08 -1.76 -2.96 114.58 116.05 7yas h GLU 165 Ca -0.00 -0.71 -0.04 0.00 -1.00 0.00 0.00 59.36 57.61 7yas h GLU 165 Cb 0.97 0.26 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 7yas h GLU 165 CO 0.04 1.34 0.04 -0.92 -1.00 0.00 0.00 179.01 178.52 7yas h TYR 166 N -0.10 0.55 -0.51 4.33 3.20 -1.22 -2.67 116.97 120.56 7yas h TYR 166 Ca -0.23 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.59 7yas h TYR 166 Cb 1.93 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 40.01 7yas h TYR 166 CO 0.15 0.51 0.30 1.49 -1.64 0.00 0.00 178.16 178.97 7yas h GLU 167 N 0.53 0.69 -0.93 1.82 4.57 -0.90 -1.67 114.58 118.69 7yas h GLU 167 Ca 0.12 -0.07 0.08 0.00 -1.18 0.00 0.00 59.36 58.31 7yas h GLU 167 Cb 0.27 -0.14 -0.06 0.00 -0.16 0.00 0.00 28.75 28.65 7yas h GLU 167 CO 0.00 0.52 0.60 -0.07 -1.18 0.00 0.00 179.01 178.88 7yas h LEU 168 N 0.68 0.92 -0.39 1.64 3.38 -1.31 -0.57 115.31 119.65 7yas h LEU 168 Ca 0.18 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 7yas h LEU 168 Cb 0.01 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 7yas h LEU 168 CO -0.03 0.57 0.04 0.00 0.09 0.00 0.00 178.44 179.10 7yas h ALA 169 N 1.51 0.53 -0.37 1.53 0.00 -1.12 0.17 119.26 121.50 7yas h ALA 169 Ca 0.41 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 7yas h ALA 169 Cb 0.26 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 7yas h ALA 169 CO -0.17 0.27 -0.05 0.87 0.00 0.00 0.00 179.25 180.17 7yas h LYS 170 N 0.51 0.62 -0.02 0.00 1.57 -0.81 -1.34 116.57 117.10 7yas h LYS 170 Ca 0.12 -0.16 -0.22 0.00 -1.87 0.00 0.00 60.65 58.51 7yas h LYS 170 Cb 0.42 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.66 7yas h LYS 170 CO 0.01 0.68 -0.91 0.52 -0.57 0.00 0.00 179.45 179.18 7yas h MET 171 N 0.58 0.44 0.00 3.15 2.86 -0.91 -3.40 114.93 117.65 7yas h MET 171 Ca 0.11 -0.46 0.00 0.00 -2.06 0.00 0.00 59.70 57.30 7yas h MET 171 Cb 0.45 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.23 7yas h MET 171 CO 0.02 1.11 -0.90 1.28 1.06 0.00 0.00 176.91 179.48 7yas n LEU 172 N -3.77 0.22 -4.76 1.22 4.77 0.58 -4.98 117.00 110.28 7yas n LEU 172 Ca -0.07 -0.26 -0.41 0.00 -0.03 0.00 0.00 56.01 55.24 7yas n LEU 172 Cb 0.82 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.88 7yas n LEU 172 CO 0.51 0.06 0.96 0.42 -1.33 0.00 0.00 177.39 178.00 7yas s THR 173 N -2.23 2.96 0.36 -5.08 -4.23 -0.52 -4.77 115.64 102.14 7yas s THR 173 Ca 0.00 0.91 0.09 0.00 -1.18 0.00 0.00 61.69 61.51 7yas s THR 173 Cb 0.06 -3.58 -0.07 0.00 1.34 0.00 0.00 72.50 70.26 7yas s THR 173 CO 0.38 0.19 -0.05 -0.13 -0.54 0.00 0.00 174.62 174.47 7yas s ARG 174 N -1.23 1.90 0.32 3.99 0.52 -0.84 -5.00 118.95 118.62 7yas s ARG 174 Ca 0.51 -1.96 -0.29 0.00 -0.52 0.00 0.00 55.73 53.47 7yas s ARG 174 Cb -0.38 -1.72 -0.12 0.00 0.52 0.00 0.00 34.95 33.25 7yas s ARG 174 CO 0.47 0.08 1.40 1.63 0.02 0.00 0.00 175.30 178.89 7yas n LYS 175 N -0.87 2.31 -1.00 3.54 5.02 -1.26 -4.39 118.16 121.50 7yas n LYS 175 Ca -0.05 0.81 0.00 0.00 -2.02 0.00 0.00 58.31 57.06 7yas n LYS 175 Cb 0.64 -2.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.19 7yas n LYS 175 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 7yas n GLY 176 N 1.15 3.64 3.44 0.72 0.00 -0.27 -4.70 105.19 109.18 7yas n GLY 176 Ca 0.06 -1.31 -0.16 0.00 0.00 0.00 0.00 46.02 44.60 7yas n GLY 176 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 7yas s SER 177 N -0.10 -0.53 0.21 1.61 0.15 -1.26 -0.90 113.70 112.87 7yas s SER 177 Ca 0.00 0.65 0.25 0.00 0.70 0.00 0.00 55.95 57.55 7yas s SER 177 Cb 0.00 0.62 0.50 0.00 -1.71 0.00 0.00 66.02 65.43 7yas s SER 177 CO 0.00 -0.49 1.52 -0.07 1.20 0.00 0.00 173.24 175.40 7yas h LEU 178 N 3.66 0.00 -1.10 3.45 3.38 -1.98 -3.48 115.31 119.24 7yas h LEU 178 Ca -0.28 -0.08 -0.53 0.00 0.09 0.00 0.00 57.88 57.08 7yas h LEU 178 Cb 1.16 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.74 7yas h LEU 178 CO 0.34 0.04 -0.82 0.49 0.09 0.00 0.00 178.44 178.58 7yas n PHE 179 N -2.36 -1.86 -0.18 1.13 3.72 -1.26 -4.86 117.46 111.78 7yas n PHE 179 Ca 0.04 0.82 -0.05 0.00 -0.05 0.00 0.00 57.45 58.21 7yas n PHE 179 Cb 0.46 -3.18 0.04 0.00 -0.94 0.00 0.00 39.48 35.86 7yas n PHE 179 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 7yas h GLN 180 N -1.63 0.63 0.00 -1.08 4.15 -1.93 0.15 115.11 115.40 7yas h GLN 180 Ca -0.59 -0.04 -0.09 0.00 0.77 0.00 0.00 58.65 58.70 7yas h GLN 180 Cb 1.38 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.92 7yas h GLN 180 CO 0.76 0.42 -0.43 -2.95 -1.93 0.00 0.00 178.83 174.69 7yas h ASN 181 N 0.65 0.00 -0.08 -0.69 -1.07 -1.94 -2.02 115.58 110.43 7yas h ASN 181 Ca 0.22 0.00 -0.19 0.00 0.07 0.00 0.00 56.30 56.40 7yas h ASN 181 Cb 0.02 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.28 7yas h ASN 181 CO -0.09 0.43 -0.69 0.40 0.07 0.00 0.00 177.43 177.55 7yas h ILE 182 N 0.00 1.34 -0.37 6.14 1.08 -1.71 -3.20 117.51 120.79 7yas h ILE 182 Ca -0.00 -1.98 -0.04 0.00 -0.39 0.00 0.00 64.86 62.44 7yas h ILE 182 Cb 0.80 2.24 -0.02 0.00 -3.07 0.00 0.00 36.82 36.77 7yas h ILE 182 CO 0.06 0.60 0.05 -0.07 -0.69 0.00 0.00 178.15 178.10 7yas h LEU 183 N 0.24 0.51 -1.57 1.44 3.38 -0.81 -2.28 115.31 116.22 7yas h LEU 183 Ca -0.06 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 7yas h LEU 183 Cb 1.34 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 7yas h LEU 183 CO 0.14 0.55 -0.10 0.00 0.09 0.00 0.00 178.44 179.12 7yas h ALA 184 N 1.52 1.65 -0.18 1.53 0.00 -1.36 -2.39 119.26 120.03 7yas h ALA 184 Ca 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.88 7yas h ALA 184 Cb 0.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.00 7yas h ALA 184 CO 0.00 0.26 0.00 1.63 0.00 0.00 0.00 179.25 181.14 7yas n LYS 185 N -4.34 2.28 -2.54 0.00 5.02 -1.05 -4.82 118.16 112.71 7yas n LYS 185 Ca -0.01 -2.02 -0.40 0.00 -2.02 0.00 0.00 58.31 53.86 7yas n LYS 185 Cb 0.22 -1.46 -0.05 0.00 -0.02 0.00 0.00 35.03 33.72 7yas n LYS 185 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 7yas s ARG 186 N -1.70 4.64 0.20 1.97 3.52 -0.88 -5.01 118.95 121.68 7yas s ARG 186 Ca 0.31 1.71 -0.30 0.00 -0.13 0.00 0.00 55.73 57.32 7yas s ARG 186 Cb 0.20 -3.14 -0.16 0.00 -1.56 0.00 0.00 34.95 30.29 7yas s ARG 186 CO 0.29 0.24 0.80 -0.35 -0.81 0.00 0.00 175.30 175.47 7yas n PRO 187 N 1.12 0.51 -1.74 5.12 -0.04 -1.26 -4.52 135.00 134.19 7yas n PRO 187 Ca -0.01 0.18 -0.38 0.00 -0.04 0.00 0.00 63.50 63.25 7yas n PRO 187 Cb 0.46 -1.40 0.05 0.00 -0.04 0.00 0.00 33.50 32.57 7yas n PRO 187 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 7yas s PHE 188 N -0.78 2.18 0.33 0.54 0.40 -1.26 -4.73 117.98 114.66 7yas s PHE 188 Ca 0.67 1.41 -0.29 0.00 -0.60 0.00 0.00 56.93 58.12 7yas s PHE 188 Cb -0.90 -3.78 -0.11 0.00 0.51 0.00 0.00 43.02 38.74 7yas s PHE 188 CO 0.57 -2.99 1.39 -0.06 0.70 0.00 0.00 175.22 174.83 7yas s PHE 189 N -1.32 2.89 0.34 0.36 0.08 -1.26 -4.97 117.98 114.10 7yas s PHE 189 Ca 0.76 1.27 -0.12 0.00 0.12 0.00 0.00 56.93 58.96 7yas s PHE 189 Cb -0.40 -3.82 -0.08 0.00 -0.57 0.00 0.00 43.02 38.15 7yas s PHE 189 CO 0.45 -2.38 0.72 0.95 -0.10 0.00 0.00 175.22 174.87 7yas s THR 190 N -0.95 4.76 0.27 0.64 -4.23 -1.26 -4.46 115.64 110.40 7yas s THR 190 Ca 0.52 0.73 0.04 0.00 -1.18 0.00 0.00 61.69 61.80 7yas s THR 190 Cb -0.42 -3.66 0.02 0.00 1.34 0.00 0.00 72.50 69.78 7yas s THR 190 CO 0.55 -0.31 1.66 0.11 -0.54 0.00 0.00 174.62 176.09 7yas h LYS 191 N 1.88 0.35 0.00 3.99 1.57 -1.93 -0.83 116.57 121.60 7yas h LYS 191 Ca -0.47 -0.17 -0.15 0.00 -1.87 0.00 0.00 60.65 57.98 7yas h LYS 191 Cb 1.18 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.47 7yas h LYS 191 CO 0.65 0.70 -0.71 0.93 -0.57 0.00 0.00 179.45 180.45 7yas h GLU 192 N 0.29 0.00 0.00 3.15 4.39 -1.94 -2.45 114.58 118.01 7yas h GLU 192 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 7yas h GLU 192 Cb 0.85 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 7yas h GLU 192 CO 0.07 0.71 0.00 0.41 -1.16 0.00 0.00 179.01 179.04 7yas n GLY 193 N 0.73 0.52 0.19 -3.84 0.00 -1.23 -4.30 105.19 97.26 7yas n GLY 193 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 7yas n GLY 193 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 7yas h TYR 194 N 0.00 0.06 -0.28 1.61 3.20 -1.55 -1.96 116.97 118.05 7yas h TYR 194 Ca 0.00 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.98 7yas h TYR 194 Cb 0.00 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 7yas h TYR 194 CO 0.00 -0.05 0.21 0.78 -1.64 0.00 0.00 178.16 177.46 7yas h GLY 195 N 0.17 0.00 1.93 1.82 0.00 -1.10 -2.76 103.07 103.14 7yas h GLY 195 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 7yas h GLY 195 CO -0.35 0.00 -0.06 1.48 0.00 0.00 0.00 176.54 177.61 7yas h SER 196 N 0.00 0.00 -4.13 0.19 4.64 -0.85 -3.47 113.55 109.93 7yas h SER 196 Ca 0.13 -0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.99 7yas h SER 196 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 7yas h SER 196 CO -0.00 0.00 0.36 0.27 -0.87 0.00 0.00 176.83 176.59 7yas s ILE 197 N -3.19 4.42 0.17 0.95 -4.36 -1.04 -5.01 121.20 113.13 7yas s ILE 197 Ca 0.07 1.33 -0.30 0.00 -0.26 0.00 0.00 60.65 61.49 7yas s ILE 197 Cb 0.07 -3.64 -0.08 0.00 1.25 0.00 0.00 42.46 40.05 7yas s ILE 197 CO 0.66 -0.50 1.33 -0.54 0.24 0.00 0.00 174.94 176.14 7yas s LYS 198 N -3.63 4.37 -0.14 0.37 -0.14 -1.26 -4.94 119.74 114.37 7yas s LYS 198 Ca 0.61 2.06 -0.00 0.00 -1.36 0.00 0.00 55.97 57.27 7yas s LYS 198 Cb -0.10 -3.21 0.03 0.00 -1.68 0.00 0.00 37.83 32.87 7yas s LYS 198 CO 0.23 -0.31 -0.09 0.15 -0.76 0.00 0.00 175.35 174.57 7yas s LYS 199 N 0.24 1.73 -0.19 1.68 1.02 -1.26 -0.64 119.74 122.33 7yas s LYS 199 Ca 0.59 -0.41 -0.03 0.00 0.02 0.00 0.00 55.97 56.15 7yas s LYS 199 Cb -0.37 -1.83 -0.01 0.00 -0.52 0.00 0.00 37.83 35.10 7yas s LYS 199 CO 0.36 -0.30 -0.08 0.42 -0.92 0.00 0.00 175.35 174.84 7yas s ILE 200 N 1.62 3.23 -0.29 2.17 1.09 -0.20 -0.65 121.20 128.18 7yas s ILE 200 Ca 0.04 -0.56 -0.07 0.00 -1.10 0.00 0.00 60.65 58.96 7yas s ILE 200 Cb -0.13 -2.43 0.01 0.00 -1.06 0.00 0.00 42.46 38.84 7yas s ILE 200 CO -0.09 0.46 0.08 -0.47 -0.10 0.00 0.00 174.94 174.82 7yas s TYR 201 N 1.09 3.14 -0.14 3.97 6.14 0.03 -0.69 117.35 130.89 7yas s TYR 201 Ca 0.01 -0.95 -0.02 0.00 0.64 0.00 0.00 57.07 56.75 7yas s TYR 201 Cb -0.15 -2.25 -0.02 0.00 0.42 0.00 0.00 41.96 39.96 7yas s TYR 201 CO -0.01 -0.56 -0.07 0.08 0.64 0.00 0.00 175.55 175.63 7yas s VAL 202 N 1.50 3.65 0.20 3.14 1.01 0.46 -0.76 120.40 129.61 7yas s VAL 202 Ca 0.03 -0.45 -0.17 0.00 0.00 0.00 0.00 61.98 61.39 7yas s VAL 202 Cb -0.17 -2.57 0.02 0.00 0.00 0.00 0.00 36.38 33.66 7yas s VAL 202 CO 0.02 0.52 0.52 -1.66 0.00 0.00 0.00 175.10 174.50 7yas s TRP 203 N 0.19 -0.07 -0.01 5.22 1.48 -0.59 -1.10 118.94 124.06 7yas s TRP 203 Ca -0.04 -0.28 0.06 0.00 -1.06 0.00 0.00 56.10 54.79 7yas s TRP 203 Cb -0.14 0.38 -0.02 0.00 -1.16 0.00 0.00 33.47 32.53 7yas s TRP 203 CO 0.03 -0.93 -0.19 -0.08 -4.06 0.00 0.00 176.95 171.72 7yas s THR 204 N -3.89 1.54 -1.93 0.66 -1.32 -1.26 -0.30 115.64 109.14 7yas s THR 204 Ca 0.10 -0.87 0.26 0.00 -1.21 0.00 0.00 61.69 59.97 7yas s THR 204 Cb -0.01 -1.29 0.70 0.00 -1.51 0.00 0.00 72.50 70.39 7yas s THR 204 CO -0.01 0.40 1.90 -0.90 -2.21 0.00 0.00 174.62 173.79 7yas n ASP 205 N 2.51 0.00 -0.76 8.08 5.68 -1.26 -2.84 116.55 127.96 7yas n ASP 205 Ca -0.15 -0.72 0.10 0.00 -0.50 0.00 0.00 54.79 53.53 7yas n ASP 205 Cb 0.53 -0.04 0.30 0.00 -1.14 0.00 0.00 41.12 40.78 7yas n ASP 205 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 7yas n GLN 206 N -1.04 1.99 -2.20 0.11 1.13 -1.26 -4.66 117.38 111.45 7yas n GLN 206 Ca 0.19 -1.49 -0.42 0.00 -1.94 0.00 0.00 57.00 53.33 7yas n GLN 206 Cb 0.10 -1.42 -0.03 0.00 0.11 0.00 0.00 30.24 29.00 7yas n GLN 206 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 7yas s ASP 207 N -1.49 6.82 0.00 1.08 -1.08 -1.13 -4.61 116.67 116.26 7yas s ASP 207 Ca 0.34 2.06 0.24 0.00 -0.52 0.00 0.00 52.55 54.67 7yas s ASP 207 Cb 0.19 -2.55 0.97 0.00 -1.46 0.00 0.00 42.92 40.07 7yas s ASP 207 CO 0.27 -0.79 1.68 -0.62 0.52 0.00 0.00 175.17 176.24 7yas n GLU 208 N 6.11 1.61 0.00 4.34 -0.58 -1.26 -4.06 120.64 126.80 7yas n GLU 208 Ca 0.14 -0.90 0.00 0.00 -0.42 0.00 0.00 57.16 55.98 7yas n GLU 208 Cb 0.44 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 29.88 7yas n GLU 208 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 7yas n ILE 209 N 0.11 0.00 -3.00 -3.67 3.06 -1.24 -4.81 119.36 109.81 7yas n ILE 209 Ca 0.18 0.00 -0.44 0.00 -2.50 0.00 0.00 62.75 59.99 7yas n ILE 209 Cb 0.31 -1.04 0.00 0.00 0.54 0.00 0.00 39.64 39.45 7yas n ILE 209 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 7yas n PHE 210 N -2.74 4.99 -0.99 9.51 3.01 -1.26 -4.79 117.46 125.19 7yas n PHE 210 Ca 0.00 -3.44 -0.32 0.00 1.01 0.00 0.00 57.45 54.70 7yas n PHE 210 Cb 0.43 -2.11 0.14 0.00 -0.01 0.00 0.00 39.48 37.93 7yas n PHE 210 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 7yas s LEU 211 N 1.07 3.03 0.38 4.37 1.43 -1.26 -4.65 118.68 123.06 7yas s LEU 211 Ca 0.41 2.26 0.14 0.00 -1.03 0.00 0.00 54.13 55.91 7yas s LEU 211 Cb -0.04 -4.58 0.96 0.00 0.03 0.00 0.00 46.19 42.57 7yas s LEU 211 CO -0.01 -2.77 1.83 -0.65 0.23 0.00 0.00 176.35 174.98 7yas h PRO 212 N -1.25 0.52 -0.77 1.29 0.11 -1.83 -1.14 132.00 128.93 7yas h PRO 212 Ca -0.45 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 7yas h PRO 212 Cb 1.28 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 7yas h PRO 212 CO 0.45 0.34 0.40 1.49 -0.21 0.00 0.00 178.00 180.48 7yas h GLU 213 N 0.54 1.09 -0.19 1.05 4.81 -1.98 0.03 114.58 119.93 7yas h GLU 213 Ca 0.50 -0.14 -0.09 0.00 -0.13 0.00 0.00 59.36 59.51 7yas h GLU 213 Cb 1.07 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.24 7yas h GLU 213 CO -0.24 0.82 -0.22 0.35 -0.73 0.00 0.00 179.01 179.00 7yas h PHE 214 N 1.08 0.59 -0.24 0.92 3.57 -1.57 -1.91 116.94 119.36 7yas h PHE 214 Ca 0.27 -0.18 -0.20 0.00 3.53 0.00 0.00 57.97 61.39 7yas h PHE 214 Cb 0.07 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.69 7yas h PHE 214 CO 0.00 0.86 -0.62 1.96 -2.23 0.00 0.00 178.31 178.29 7yas h GLN 215 N 0.14 0.82 -0.19 1.11 4.20 -1.15 -1.18 115.11 118.86 7yas h GLN 215 Ca 0.03 -0.57 -0.11 0.00 0.06 0.00 0.00 58.65 58.06 7yas h GLN 215 Cb 0.77 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 7yas h GLN 215 CO 0.05 1.19 -0.37 -0.07 -0.67 0.00 0.00 178.83 178.96 7yas h LEU 216 N 0.61 0.43 -0.88 1.46 3.38 -1.10 -1.70 115.31 117.52 7yas h LEU 216 Ca -0.01 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.79 7yas h LEU 216 Cb 1.23 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 7yas h LEU 216 CO 0.13 0.77 0.57 -0.25 0.09 0.00 0.00 178.44 179.76 7yas h TRP 217 N 0.35 1.12 -0.47 1.13 7.01 -1.09 -2.11 115.95 121.89 7yas h TRP 217 Ca 0.04 0.02 -0.13 0.00 2.11 0.00 0.00 58.89 60.92 7yas h TRP 217 Cb 0.82 -0.38 -0.01 0.00 -2.10 0.00 0.00 29.16 27.49 7yas h TRP 217 CO 0.02 0.72 -0.23 1.96 -2.79 0.00 0.00 178.44 178.12 7yas h GLN 218 N 1.20 0.99 -0.61 2.65 4.20 -0.65 -1.11 115.11 121.78 7yas h GLN 218 Ca 0.32 -0.43 -0.05 0.00 0.06 0.00 0.00 58.65 58.55 7yas h GLN 218 Cb -0.12 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.61 7yas h GLN 218 CO -0.07 1.10 0.17 0.82 -0.67 0.00 0.00 178.83 180.19 7yas h ILE 219 N 0.84 1.24 -0.05 2.54 2.04 -1.17 -1.80 117.51 121.13 7yas h ILE 219 Ca 0.10 -0.83 -0.20 0.00 1.00 0.00 0.00 64.86 64.94 7yas h ILE 219 Cb 0.81 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.48 7yas h ILE 219 CO 0.07 0.32 -0.80 -0.08 0.00 0.00 0.00 178.15 177.66 7yas h GLU 220 N 0.89 0.41 -0.34 2.37 4.57 -1.28 -3.22 114.58 117.98 7yas h GLU 220 Ca 0.20 -0.36 -0.11 0.00 -1.18 0.00 0.00 59.36 57.90 7yas h GLU 220 Cb 0.29 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 7yas h GLU 220 CO -0.01 1.01 -0.25 -0.97 -1.18 0.00 0.00 179.01 177.62 7yas h ASN 221 N 0.26 0.70 -1.87 1.04 -1.24 -0.79 -3.40 115.58 110.29 7yas h ASN 221 Ca -0.04 -0.26 -0.29 0.00 0.71 0.00 0.00 56.30 56.41 7yas h ASN 221 Cb 1.39 -0.19 -0.30 0.00 0.73 0.00 0.00 38.32 39.95 7yas h ASN 221 CO 0.14 0.93 -0.62 -0.47 -1.29 0.00 0.00 177.43 176.12 7yas s TYR 222 N -4.54 -0.61 -0.22 0.67 5.04 -0.71 -5.08 117.35 111.90 7yas s TYR 222 Ca -0.09 -0.30 -0.31 0.00 -2.44 0.00 0.00 57.07 53.93 7yas s TYR 222 Cb 0.13 -0.31 -0.08 0.00 0.35 0.00 0.00 41.96 42.05 7yas s TYR 222 CO 0.83 -0.98 2.16 1.17 -1.34 0.00 0.00 175.55 177.38 7yas n LYS 223 N 4.80 1.83 -1.73 4.97 4.81 -1.22 -4.61 118.16 127.01 7yas n LYS 223 Ca 0.05 0.54 -0.36 0.00 -0.87 0.00 0.00 58.31 57.68 7yas n LYS 223 Cb 0.47 -2.95 0.06 0.00 0.02 0.00 0.00 35.03 32.64 7yas n LYS 223 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 7yas s PRO 224 N 5.90 2.56 0.39 1.64 0.02 -1.26 -4.94 135.00 139.32 7yas s PRO 224 Ca 1.01 1.85 0.12 0.00 0.02 0.00 0.00 61.00 64.01 7yas s PRO 224 Cb -0.52 -1.87 0.80 0.00 0.02 0.00 0.00 34.50 32.92 7yas s PRO 224 CO 0.41 -1.53 1.88 -0.44 -0.33 0.00 0.00 177.00 177.00 7yas h ASP 225 N 0.36 0.04 -3.86 2.53 3.32 -1.26 -3.44 116.42 114.11 7yas h ASP 225 Ca -0.49 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.41 7yas h ASP 225 Cb 1.31 -0.01 -0.25 0.00 0.22 0.00 0.00 39.33 40.60 7yas h ASP 225 CO 0.53 0.33 -0.31 -0.75 -1.72 0.00 0.00 179.24 177.32 7yas s LYS 226 N -4.40 0.41 -0.10 3.56 2.36 -1.13 -5.03 119.74 115.40 7yas s LYS 226 Ca -0.04 0.49 0.03 0.00 -2.55 0.00 0.00 55.97 53.90 7yas s LYS 226 Cb 0.15 0.20 0.01 0.00 -1.05 0.00 0.00 37.83 37.14 7yas s LYS 226 CO 0.72 -0.05 -0.19 0.08 1.55 0.00 0.00 175.35 177.46 7yas s VAL 227 N 0.19 1.74 -0.15 4.02 1.01 -1.26 -0.79 120.40 125.16 7yas s VAL 227 Ca -0.00 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.18 7yas s VAL 227 Cb -0.02 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.81 7yas s VAL 227 CO 0.00 0.49 -0.17 -0.31 0.00 0.00 0.00 175.10 175.11 7yas s TYR 228 N 0.67 2.74 -0.28 5.22 1.51 0.06 -4.96 117.35 122.32 7yas s TYR 228 Ca -0.12 -1.11 -0.07 0.00 -1.01 0.00 0.00 57.07 54.75 7yas s TYR 228 Cb -0.16 -1.86 -0.01 0.00 -0.11 0.00 0.00 41.96 39.82 7yas s TYR 228 CO 0.03 -0.50 0.08 0.21 -1.11 0.00 0.00 175.55 174.26 7yas s LYS 229 N 0.78 3.35 -0.12 -0.62 2.20 -1.26 -1.55 119.74 122.52 7yas s LYS 229 Ca -0.07 -0.68 -0.22 0.00 -0.36 0.00 0.00 55.97 54.64 7yas s LYS 229 Cb -0.15 -3.36 -0.03 0.00 -1.51 0.00 0.00 37.83 32.77 7yas s LYS 229 CO -0.00 -0.33 0.66 0.08 -0.36 0.00 0.00 175.35 175.40 7yas s VAL 230 N 1.56 5.05 -0.00 4.02 1.01 0.59 -4.97 120.40 127.65 7yas s VAL 230 Ca 0.04 1.31 -0.30 0.00 0.00 0.00 0.00 61.98 63.04 7yas s VAL 230 Cb -0.16 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 7yas s VAL 230 CO 0.03 0.20 1.03 -1.61 0.00 0.00 0.00 175.10 174.75 7yas s GLU 231 N 1.20 4.52 2.02 2.72 0.41 -1.26 -4.24 118.70 124.06 7yas s GLU 231 Ca 0.33 1.49 0.00 0.00 -0.41 0.00 0.00 54.97 56.38 7yas s GLU 231 Cb -0.17 -3.45 0.00 0.00 -1.78 0.00 0.00 34.13 28.73 7yas s GLU 231 CO 0.14 -0.12 0.00 0.41 -0.49 0.00 0.00 175.26 175.20 7yas n GLY 232 N 2.99 -1.42 7.00 -1.39 0.00 -1.26 -5.04 105.19 106.06 7yas n GLY 232 Ca 0.07 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.77 7yas n GLY 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 7yas n GLY 233 N 0.00 -0.64 0.00 -0.02 0.00 -1.26 -4.65 105.19 98.62 7yas n GLY 233 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 7yas n GLY 233 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 7yas n ASP 234 N -0.75 0.00 -0.22 1.61 5.68 -1.26 -4.73 116.55 116.88 7yas n ASP 234 Ca 0.00 -0.47 0.07 0.00 -0.50 0.00 0.00 54.79 53.89 7yas n ASP 234 Cb 0.00 0.00 0.34 0.00 -1.14 0.00 0.00 41.12 40.32 7yas n ASP 234 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 7yas h HIS 235 N 0.47 0.82 -2.15 2.11 -0.00 -1.82 -3.14 115.15 111.45 7yas h HIS 235 Ca 0.00 0.02 -0.77 0.00 -0.00 0.00 0.00 60.37 59.62 7yas h HIS 235 Cb 0.00 -0.27 -0.21 0.00 -0.00 0.00 0.00 27.41 26.93 7yas h HIS 235 CO 0.00 0.41 1.42 1.63 -0.00 0.00 0.00 177.93 181.39 7yas n LYS 236 N -4.49 3.86 0.29 5.26 4.76 -1.19 -4.80 118.16 121.84 7yas n LYS 236 Ca 0.12 -3.97 0.16 0.00 -2.87 0.00 0.00 58.31 51.75 7yas n LYS 236 Cb 0.27 -2.78 0.85 0.00 -1.84 0.00 0.00 35.03 31.52 7yas n LYS 236 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 7yas h LEU 237 N 7.23 0.00 0.00 -0.35 3.38 -1.92 -1.27 115.31 122.37 7yas h LEU 237 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 7yas h LEU 237 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 7yas h LEU 237 CO 1.44 0.06 0.00 0.00 0.09 0.00 0.00 178.44 180.02 7yas n GLN 238 N -3.37 0.11 -0.09 1.13 0.00 -1.26 -1.09 117.38 112.81 7yas n GLN 238 Ca -0.02 0.15 -0.16 0.00 0.00 0.00 0.00 57.00 56.98 7yas n GLN 238 Cb 0.21 -1.50 -0.07 0.00 0.00 0.00 0.00 30.24 28.88 7yas n GLN 238 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 7yas n LEU 239 N -1.41 2.15 0.14 2.61 4.77 -0.56 -4.21 117.00 120.49 7yas n LEU 239 Ca 0.06 0.07 0.09 0.00 -0.03 0.00 0.00 56.01 56.20 7yas n LEU 239 Cb 0.19 -0.58 0.05 0.00 -2.33 0.00 0.00 43.42 40.76 7yas n LEU 239 CO 0.16 0.59 0.32 0.71 -1.33 0.00 0.00 177.39 177.84 7yas h THR 240 N -0.33 0.15 -0.73 -5.08 1.35 -1.40 -3.38 112.91 103.49 7yas h THR 240 Ca -0.43 -1.24 -0.31 0.00 -0.55 0.00 0.00 66.41 63.88 7yas h THR 240 Cb 1.51 1.84 -0.40 0.00 -1.73 0.00 0.00 68.15 69.36 7yas h THR 240 CO -0.17 0.08 -1.13 0.29 -0.25 0.00 0.00 175.52 174.34 7yas n LYS 241 N -2.91 1.58 -0.22 4.72 4.76 -0.25 -4.84 118.16 121.00 7yas n LYS 241 Ca 0.01 -3.45 -0.00 0.00 -2.87 0.00 0.00 58.31 52.00 7yas n LYS 241 Cb 0.59 -1.49 0.11 0.00 -1.84 0.00 0.00 35.03 32.41 7yas n LYS 241 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 7yas h THR 242 N 4.25 0.84 -0.56 -0.18 2.02 -1.68 -1.31 112.91 116.29 7yas h THR 242 Ca -0.09 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 7yas h THR 242 Cb 1.23 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 7yas h THR 242 CO 0.36 0.09 0.25 0.50 0.37 0.00 0.00 175.52 177.09 7yas h LYS 243 N 0.52 0.83 -0.39 6.66 3.64 -1.92 -1.38 116.57 124.52 7yas h LYS 243 Ca 0.31 -0.14 -0.12 0.00 -1.27 0.00 0.00 60.65 59.44 7yas h LYS 243 Cb 0.33 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 7yas h LYS 243 CO -0.26 0.69 -0.23 0.93 -2.27 0.00 0.00 179.45 178.31 7yas h GLU 244 N 0.77 0.78 -0.58 1.90 3.07 -1.79 -1.56 114.58 117.18 7yas h GLU 244 Ca 0.19 -0.32 -0.10 0.00 -0.50 0.00 0.00 59.36 58.63 7yas h GLU 244 Cb 0.16 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 7yas h GLU 244 CO -0.02 0.93 -0.05 0.82 -1.40 0.00 0.00 179.01 179.30 7yas h ILE 245 N 0.68 1.27 -0.56 3.13 1.08 -0.98 -2.05 117.51 120.07 7yas h ILE 245 Ca 0.09 -1.20 -0.08 0.00 -0.39 0.00 0.00 64.86 63.29 7yas h ILE 245 Cb 0.74 0.87 -0.02 0.00 -3.07 0.00 0.00 36.82 35.34 7yas h ILE 245 CO 0.06 0.43 0.05 0.00 -0.69 0.00 0.00 178.15 178.00 7yas h ALA 246 N 0.99 1.03 -0.62 1.87 0.00 -1.01 -0.93 119.26 120.59 7yas h ALA 246 Ca 0.16 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 7yas h ALA 246 Cb 0.61 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 7yas h ALA 246 CO 0.04 0.61 0.37 0.93 0.00 0.00 0.00 179.25 181.20 7yas h GLU 247 N 0.86 0.84 -0.42 0.00 5.08 -1.13 -0.04 114.58 119.77 7yas h GLU 247 Ca 0.17 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 7yas h GLU 247 Cb 0.44 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 7yas h GLU 247 CO 0.02 0.61 0.03 0.82 -1.00 0.00 0.00 179.01 179.48 7yas h ILE 248 N 0.83 1.25 -0.11 3.13 2.04 -1.08 -2.35 117.51 121.22 7yas h ILE 248 Ca 0.22 -0.97 -0.09 0.00 1.00 0.00 0.00 64.86 65.02 7yas h ILE 248 Cb -0.01 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 7yas h ILE 248 CO -0.04 0.33 -0.33 -0.07 0.00 0.00 0.00 178.15 178.04 7yas h LEU 249 N 0.57 0.22 -0.49 1.44 3.38 -0.95 -1.29 115.31 118.19 7yas h LEU 249 Ca 0.12 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 7yas h LEU 249 Cb 0.44 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 7yas h LEU 249 CO 0.02 0.54 0.24 -0.61 0.09 0.00 0.00 178.44 178.72 7yas h GLN 250 N 0.19 0.70 -0.88 1.13 5.75 -0.79 -0.36 115.11 120.83 7yas h GLN 250 Ca 0.02 -0.10 -0.01 0.00 -0.15 0.00 0.00 58.65 58.42 7yas h GLN 250 Cb 0.68 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 29.06 7yas h GLN 250 CO 0.05 0.58 0.53 0.93 -2.65 0.00 0.00 178.83 178.27 7yas h GLU 251 N 0.64 1.20 -0.55 1.69 5.08 -0.87 -0.90 114.58 120.88 7yas h GLU 251 Ca 0.17 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 7yas h GLU 251 Cb 0.10 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 7yas h GLU 251 CO -0.02 0.85 0.14 0.28 -1.00 0.00 0.00 179.01 179.25 7yas h VAL 252 N 1.22 1.24 -0.52 3.13 2.07 -0.95 -1.36 116.25 121.08 7yas h VAL 252 Ca 0.32 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.97 7yas h VAL 252 Cb -0.05 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 7yas h VAL 252 CO -0.06 0.32 0.34 0.00 0.02 0.00 0.00 177.57 178.19 7yas h ALA 253 N 1.02 1.62 0.00 1.67 0.00 -0.64 0.09 119.26 123.01 7yas h ALA 253 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 7yas h ALA 253 Cb 0.33 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.91 7yas h ALA 253 CO 0.00 0.35 -0.05 -0.25 0.00 0.00 0.00 179.25 179.30 7yas n ASP 254 N -4.45 0.37 -0.09 0.00 8.00 -0.38 -4.21 116.55 115.79 7yas n ASP 254 Ca 0.05 0.48 -0.12 0.00 0.71 0.00 0.00 54.79 55.90 7yas n ASP 254 Cb 0.05 -0.55 -0.10 0.00 -0.02 0.00 0.00 41.12 40.50 7yas n ASP 254 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 7yas n THR 255 N -1.82 1.10 -4.57 -3.53 -1.04 -0.41 -4.99 114.28 99.02 7yas n THR 255 Ca 0.06 -0.48 -0.29 0.00 -2.04 0.00 0.00 64.05 61.30 7yas n THR 255 Cb 0.38 -1.05 -0.17 0.00 -1.82 0.00 0.00 70.33 67.67 7yas n THR 255 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 7yas s TYR 256 N -2.39 2.07 0.00 -1.42 2.02 -0.12 -5.09 117.35 112.43 7yas s TYR 256 Ca -0.22 -0.96 0.00 0.00 -0.37 0.00 0.00 57.07 55.52 7yas s TYR 256 Cb 0.06 -1.47 0.00 0.00 -0.40 0.00 0.00 41.96 40.15 7yas s TYR 256 CO 0.49 -0.47 0.00 0.27 -1.57 0.00 0.00 175.55 174.27