#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ub3 h LEU 3 N 0.00 0.84 -1.99 -2.12 5.85 -1.98 -2.26 115.31 113.65 1ub3 h LEU 3 Ca 0.00 -0.25 0.13 0.00 0.84 0.00 0.00 57.88 58.59 1ub3 h LEU 3 Cb 0.00 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 1ub3 h LEU 3 CO 0.00 0.96 0.32 0.00 -0.34 0.00 0.00 178.44 179.38 1ub3 h ALA 4 N 1.12 2.40 0.00 1.25 0.00 -1.88 0.35 119.26 122.50 1ub3 h ALA 4 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ub3 h ALA 4 Cb 0.60 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1ub3 h ALA 4 CO 0.04 -0.52 0.00 0.00 0.00 0.00 0.00 179.25 178.77 1ub3 n ALA 5 N -2.62 2.13 -0.07 0.00 0.00 -0.85 -1.34 120.51 117.76 1ub3 n ALA 5 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1ub3 n ALA 5 Cb 0.51 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1ub3 n ALA 5 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ub3 n HIS 6 N -1.05 0.00 -4.27 0.00 -0.00 0.11 -4.55 115.22 105.46 1ub3 n HIS 6 Ca 0.13 -0.26 -0.34 0.00 -0.00 0.00 0.00 57.72 57.24 1ub3 n HIS 6 Cb 0.07 -0.03 -0.11 0.00 -0.00 0.00 0.00 29.99 29.93 1ub3 n HIS 6 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1ub3 s ILE 7 N -0.52 4.29 -0.55 1.59 1.01 -0.87 0.05 121.20 126.20 1ub3 s ILE 7 Ca 0.00 -0.23 -0.18 0.00 0.00 0.00 0.00 60.65 60.24 1ub3 s ILE 7 Cb 0.00 -2.87 0.10 0.00 0.01 0.00 0.00 42.46 39.69 1ub3 s ILE 7 CO 0.00 0.52 0.61 -1.81 0.00 0.00 0.00 174.94 174.26 1ub3 s ASP 8 N 0.01 6.19 -0.11 3.58 1.01 0.44 -1.60 116.67 126.19 1ub3 s ASP 8 Ca 0.03 -1.42 -0.29 0.00 0.71 0.00 0.00 52.55 51.58 1ub3 s ASP 8 Cb -0.13 -2.27 -0.05 0.00 1.01 0.00 0.00 42.92 41.49 1ub3 s ASP 8 CO 0.02 -0.97 1.71 -2.28 0.21 0.00 0.00 175.17 173.85 1ub3 s HIS 9 N 2.32 1.90 -0.08 4.23 2.46 0.94 -3.08 115.29 123.99 1ub3 s HIS 9 Ca 0.09 0.28 0.00 0.00 0.47 0.00 0.00 55.06 55.91 1ub3 s HIS 9 Cb -0.25 -3.96 -0.03 0.00 -0.13 0.00 0.00 32.58 28.21 1ub3 s HIS 9 CO 0.06 -3.70 -0.05 0.99 -2.47 0.00 0.00 174.74 169.57 1ub3 s THR 10 N 4.76 3.84 -0.32 0.89 2.01 -0.39 -0.06 115.64 126.37 1ub3 s THR 10 Ca 0.76 -0.43 -0.02 0.00 0.31 0.00 0.00 61.69 62.31 1ub3 s THR 10 Cb -0.31 -2.58 0.12 0.00 0.01 0.00 0.00 72.50 69.74 1ub3 s THR 10 CO 0.31 0.60 0.19 -0.22 -0.69 0.00 0.00 174.62 174.80 1ub3 s LEU 11 N -0.77 0.58 -0.03 4.42 2.96 -0.45 -4.24 118.68 121.15 1ub3 s LEU 11 Ca 0.12 -1.57 0.04 0.00 -0.22 0.00 0.00 54.13 52.50 1ub3 s LEU 11 Cb -0.11 -0.23 0.07 0.00 0.50 0.00 0.00 46.19 46.42 1ub3 s LEU 11 CO 0.02 -0.38 0.92 0.18 -1.32 0.00 0.00 176.35 175.77 1ub3 n LEU 12 N 4.78 1.34 -4.76 -0.68 4.77 -1.26 -3.82 117.00 117.36 1ub3 n LEU 12 Ca 0.02 -1.65 -0.38 0.00 -0.03 0.00 0.00 56.01 53.96 1ub3 n LEU 12 Cb 0.41 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1ub3 n LEU 12 CO 0.07 0.40 0.92 -1.59 -1.33 0.00 0.00 177.39 175.87 1ub3 s LYS 13 N -1.07 3.71 0.32 3.23 -2.85 -1.26 -4.90 119.74 116.92 1ub3 s LYS 13 Ca 0.07 2.05 0.07 0.00 -1.00 0.00 0.00 55.97 57.17 1ub3 s LYS 13 Cb 0.07 -2.53 0.79 0.00 -2.06 0.00 0.00 37.83 34.09 1ub3 s LYS 13 CO 0.01 -0.67 1.78 -1.35 0.10 0.00 0.00 175.35 175.21 1ub3 h PRO 14 N 2.20 0.70 -0.59 1.78 0.11 -2.05 -2.23 132.00 131.91 1ub3 h PRO 14 Ca -0.50 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1ub3 h PRO 14 Cb 1.26 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1ub3 h PRO 14 CO 0.61 0.46 0.00 0.25 -0.21 0.00 0.00 178.00 179.11 1ub3 n THR 15 N -4.75 1.12 -1.67 -1.15 -2.24 -1.26 -4.94 114.28 99.39 1ub3 n THR 15 Ca 0.23 -0.74 -0.48 0.00 -2.27 0.00 0.00 64.05 60.80 1ub3 n THR 15 Cb 0.60 0.01 -0.05 0.00 -2.10 0.00 0.00 70.33 68.79 1ub3 n THR 15 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ub3 n ALA 16 N 0.65 0.94 -1.99 6.98 0.00 -0.84 -4.96 120.51 121.29 1ub3 n ALA 16 Ca 0.16 0.36 -0.21 0.00 0.00 0.00 0.00 53.44 53.75 1ub3 n ALA 16 Cb 0.60 -2.41 0.04 0.00 0.00 0.00 0.00 19.45 17.67 1ub3 n ALA 16 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ub3 s THR 17 N 2.70 2.71 0.29 0.00 -4.23 -1.26 -4.93 115.64 110.92 1ub3 s THR 17 Ca 0.87 -0.64 -0.02 0.00 -1.18 0.00 0.00 61.69 60.72 1ub3 s THR 17 Cb -0.71 -3.02 0.26 0.00 1.34 0.00 0.00 72.50 70.36 1ub3 s THR 17 CO 0.47 -0.02 1.96 0.25 -0.54 0.00 0.00 174.62 176.74 1ub3 h LEU 18 N 0.06 0.97 -0.74 4.79 5.85 -1.99 -0.96 115.31 123.29 1ub3 h LEU 18 Ca -0.42 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 1ub3 h LEU 18 Cb 1.30 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.05 1ub3 h LEU 18 CO 0.53 0.70 0.43 -0.08 -0.34 0.00 0.00 178.44 179.68 1ub3 h GLU 19 N 1.15 1.02 -0.19 1.25 4.81 -1.99 -0.34 114.58 120.29 1ub3 h GLU 19 Ca 0.31 -0.10 -0.12 0.00 -0.13 0.00 0.00 59.36 59.32 1ub3 h GLU 19 Cb -0.13 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.03 1ub3 h GLU 19 CO -0.07 0.73 -0.38 0.93 -0.73 0.00 0.00 179.01 179.50 1ub3 h GLU 20 N 1.02 0.43 -0.40 1.92 5.08 -1.71 -1.54 114.58 119.37 1ub3 h GLU 20 Ca 0.26 -0.20 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 1ub3 h GLU 20 Cb -0.01 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1ub3 h GLU 20 CO -0.05 0.75 -0.18 0.28 -1.00 0.00 0.00 179.01 178.81 1ub3 h VAL 21 N 0.36 1.28 -0.77 3.13 2.07 -0.73 -1.00 116.25 120.58 1ub3 h VAL 21 Ca 0.04 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.24 1ub3 h VAL 21 Cb 0.83 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 1ub3 h VAL 21 CO 0.07 0.44 0.47 0.00 0.02 0.00 0.00 177.57 178.57 1ub3 h ALA 22 N 0.82 0.98 -0.67 1.67 0.00 -0.86 -0.32 119.26 120.88 1ub3 h ALA 22 Ca 0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1ub3 h ALA 22 Cb 0.73 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1ub3 h ALA 22 CO 0.06 0.45 0.25 -0.22 0.00 0.00 0.00 179.25 179.78 1ub3 h LYS 23 N 1.06 1.02 -0.64 0.00 3.64 -1.07 -0.96 116.57 119.63 1ub3 h LYS 23 Ca 0.28 -0.20 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 1ub3 h LYS 23 Cb -0.04 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.59 1ub3 h LYS 23 CO -0.05 0.87 0.07 0.00 -2.27 0.00 0.00 179.45 178.07 1ub3 h ALA 24 N 1.11 0.93 -0.60 5.00 0.00 -0.61 -0.88 119.26 124.21 1ub3 h ALA 24 Ca 0.22 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1ub3 h ALA 24 Cb 0.24 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1ub3 h ALA 24 CO -0.01 0.66 0.12 0.00 0.00 0.00 0.00 179.25 180.01 1ub3 h ALA 25 N 1.08 0.79 -0.56 0.00 0.00 -0.79 -0.52 119.26 119.27 1ub3 h ALA 25 Ca 0.19 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1ub3 h ALA 25 Cb 0.47 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1ub3 h ALA 25 CO 0.02 0.53 0.17 0.93 0.00 0.00 0.00 179.25 180.90 1ub3 h GLU 26 N 0.88 0.83 -0.45 0.00 5.08 -0.84 -1.40 114.58 118.69 1ub3 h GLU 26 Ca 0.18 -0.15 -0.14 0.00 -1.00 0.00 0.00 59.36 58.25 1ub3 h GLU 26 Cb 0.40 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1ub3 h GLU 26 CO 0.01 0.72 -0.28 0.93 -1.00 0.00 0.00 179.01 179.39 1ub3 h GLU 27 N 0.81 0.98 -0.95 2.33 5.08 -0.74 0.80 114.58 122.88 1ub3 h GLU 27 Ca 0.19 -0.45 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1ub3 h GLU 27 Cb 0.24 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 1ub3 h GLU 27 CO -0.01 1.12 0.58 0.00 -1.00 0.00 0.00 179.01 179.70 1ub3 h ALA 28 N 0.84 1.21 0.05 3.43 0.00 -0.61 -0.01 119.26 124.17 1ub3 h ALA 28 Ca 0.09 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ub3 h ALA 28 Cb 0.87 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1ub3 h ALA 28 CO 0.08 0.66 -0.02 1.25 0.00 0.00 0.00 179.25 181.22 1ub3 h LEU 29 N 1.31 -0.05 -0.28 0.00 5.85 -1.02 -1.61 115.31 119.50 1ub3 h LEU 29 Ca 0.34 -0.43 0.01 0.00 0.84 0.00 0.00 57.88 58.63 1ub3 h LEU 29 Cb -0.07 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1ub3 h LEU 29 CO -0.07 0.42 0.18 -0.08 -0.34 0.00 0.00 178.44 178.55 1ub3 h GLU 30 N -0.54 0.35 -0.01 1.25 4.81 -0.62 -3.07 114.58 116.75 1ub3 h GLU 30 Ca -0.01 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1ub3 h GLU 30 Cb 0.48 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1ub3 h GLU 30 CO 0.01 0.23 -0.12 0.66 -0.73 0.00 0.00 179.01 179.06 1ub3 n TYR 31 N -4.90 0.00 -2.93 0.92 4.02 -0.04 -4.97 117.16 109.26 1ub3 n TYR 31 Ca -0.02 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.76 1ub3 n TYR 31 Cb 0.03 -0.04 0.03 0.00 -0.02 0.00 0.00 39.34 39.34 1ub3 n TYR 31 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ub3 n GLY 32 N 1.26 0.18 3.76 2.72 0.00 -0.73 -4.83 105.19 107.56 1ub3 n GLY 32 Ca 0.16 -0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 1ub3 n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ub3 s PHE 33 N -3.07 3.28 0.21 1.61 0.08 -0.69 -3.94 117.98 115.46 1ub3 s PHE 33 Ca 0.25 1.55 -0.10 0.00 0.12 0.00 0.00 56.93 58.75 1ub3 s PHE 33 Cb -0.11 -3.48 0.18 0.00 -0.57 0.00 0.00 43.02 39.04 1ub3 s PHE 33 CO 0.31 -1.24 1.87 -0.92 -0.10 0.00 0.00 175.22 175.14 1ub3 h TYR 34 N 3.48 0.92 -4.06 0.36 5.03 -0.61 -3.40 116.97 118.69 1ub3 h TYR 34 Ca -0.48 0.02 -0.24 0.00 2.58 0.00 0.00 58.73 60.62 1ub3 h TYR 34 Cb 1.22 -0.31 -0.15 0.00 1.55 0.00 0.00 36.73 39.04 1ub3 h TYR 34 CO 0.57 0.56 -0.66 0.20 -1.32 0.00 0.00 178.16 177.51 1ub3 s GLY 35 N -2.92 1.09 -0.16 1.82 0.00 -0.62 -0.71 107.32 105.82 1ub3 s GLY 35 Ca -0.13 -1.52 0.00 0.00 0.00 0.00 0.00 44.72 43.07 1ub3 s GLY 35 CO 0.78 -1.45 -0.09 -2.27 0.00 0.00 0.00 173.10 170.07 1ub3 s LEU 36 N -3.11 1.74 -0.31 0.66 2.96 -0.10 -0.04 118.68 120.48 1ub3 s LEU 36 Ca 0.23 -0.64 -0.06 0.00 -0.22 0.00 0.00 54.13 53.44 1ub3 s LEU 36 Cb 0.07 -1.04 0.03 0.00 0.50 0.00 0.00 46.19 45.75 1ub3 s LEU 36 CO 0.02 -0.14 0.07 0.00 -1.32 0.00 0.00 176.35 174.98 1ub3 s ILE 38 N 1.42 1.03 0.59 0.00 -5.25 -0.78 -1.34 121.20 116.87 1ub3 s ILE 38 Ca -0.00 -2.00 -0.20 0.00 -0.99 0.00 0.00 60.65 57.46 1ub3 s ILE 38 Cb -0.18 -2.72 -0.03 0.00 2.95 0.00 0.00 42.46 42.48 1ub3 s ILE 38 CO 0.02 0.00 1.34 -2.65 -1.79 0.00 0.00 174.94 171.85 1ub3 n PRO 39 N -0.69 1.48 -0.29 0.37 -0.02 -1.25 -4.23 135.00 130.38 1ub3 n PRO 39 Ca -0.02 0.56 0.14 0.00 -2.02 0.00 0.00 63.50 62.15 1ub3 n PRO 39 Cb 0.66 -2.56 0.40 0.00 -0.02 0.00 0.00 33.50 31.98 1ub3 n PRO 39 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1ub3 h PRO 40 N 1.09 0.62 0.00 0.52 0.13 -1.94 -1.38 132.00 131.05 1ub3 h PRO 40 Ca -0.51 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 1ub3 h PRO 40 Cb 1.32 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1ub3 h PRO 40 CO 0.56 0.41 0.00 -1.13 -0.23 0.00 0.00 178.00 177.61 1ub3 n SER 41 N -4.59 0.00 -0.31 1.44 3.41 -1.26 -2.57 113.62 109.74 1ub3 n SER 41 Ca 0.19 -0.74 0.04 0.00 -0.26 0.00 0.00 58.87 58.10 1ub3 n SER 41 Cb 0.55 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.54 1ub3 n SER 41 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1ub3 n TYR 42 N -0.98 0.05 -0.03 7.33 4.02 -0.52 -4.68 117.16 122.34 1ub3 n TYR 42 Ca 0.16 -0.08 -0.10 0.00 -0.01 0.00 0.00 57.90 57.87 1ub3 n TYR 42 Cb 0.07 -0.01 -0.04 0.00 -0.02 0.00 0.00 39.34 39.35 1ub3 n TYR 42 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1ub3 h VAL 43 N 1.39 1.06 -0.88 -0.72 2.07 -1.54 -2.39 116.25 115.25 1ub3 h VAL 43 Ca 0.00 -0.15 0.07 0.00 0.82 0.00 0.00 66.70 67.44 1ub3 h VAL 43 Cb 0.36 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 1ub3 h VAL 43 CO 0.00 0.06 0.54 0.00 0.02 0.00 0.00 177.57 178.19 1ub3 h ALA 44 N 1.04 1.21 -0.19 1.67 0.00 -1.81 -0.76 119.26 120.42 1ub3 h ALA 44 Ca 0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1ub3 h ALA 44 Cb 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1ub3 h ALA 44 CO -0.01 0.28 0.02 2.35 0.00 0.00 0.00 179.25 181.89 1ub3 h TRP 45 N 0.98 0.34 -0.70 0.00 7.01 -1.83 -1.33 115.95 120.42 1ub3 h TRP 45 Ca 0.38 -0.05 -0.02 0.00 2.11 0.00 0.00 58.89 61.31 1ub3 h TRP 45 Cb 0.19 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.12 1ub3 h TRP 45 CO -0.03 0.49 0.36 0.28 -2.79 0.00 0.00 178.44 176.76 1ub3 h VAL 46 N 0.09 1.22 -0.69 2.65 2.07 -1.02 -0.76 116.25 119.81 1ub3 h VAL 46 Ca 0.06 -0.59 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 1ub3 h VAL 46 Cb 0.35 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1ub3 h VAL 46 CO 0.01 0.25 0.27 -0.09 0.02 0.00 0.00 177.57 178.03 1ub3 h ARG 47 N 0.97 1.04 -0.71 1.57 2.43 -1.07 0.23 114.38 118.84 1ub3 h ARG 47 Ca 0.24 -0.19 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 1ub3 h ARG 47 Cb 0.07 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 1ub3 h ARG 47 CO -0.04 0.86 0.16 0.00 -1.51 0.00 0.00 179.97 179.45 1ub3 h ALA 48 N 1.12 0.94 -0.06 2.80 0.00 -0.82 -1.17 119.26 122.08 1ub3 h ALA 48 Ca 0.23 -0.26 -0.24 0.00 0.00 0.00 0.00 54.91 54.64 1ub3 h ALA 48 Cb 0.22 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 17.75 1ub3 h ALA 48 CO -0.02 0.67 -0.91 -0.09 0.00 0.00 0.00 179.25 178.91 1ub3 h ARG 49 N 1.08 0.71 -2.18 0.00 9.65 -0.87 -3.38 114.38 119.39 1ub3 h ARG 49 Ca 0.22 -0.69 -0.59 0.00 -1.10 0.00 0.00 59.98 57.82 1ub3 h ARG 49 Cb 0.39 0.18 -0.41 0.00 -1.39 0.00 0.00 29.97 28.74 1ub3 h ARG 49 CO 0.00 1.28 -0.75 0.66 2.80 0.00 0.00 179.97 183.97 1ub3 n TYR 50 N -3.92 2.36 0.28 2.20 4.02 0.79 -4.93 117.16 117.96 1ub3 n TYR 50 Ca -0.10 -3.97 0.14 0.00 -0.01 0.00 0.00 57.90 53.96 1ub3 n TYR 50 Cb 0.81 -0.48 0.82 0.00 -0.02 0.00 0.00 39.34 40.47 1ub3 n TYR 50 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1ub3 h PRO 51 N 4.21 0.00 -1.25 -0.72 0.13 -1.41 -2.87 132.00 130.10 1ub3 h PRO 51 Ca 0.16 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.75 1ub3 h PRO 51 Cb 0.73 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.45 1ub3 h PRO 51 CO 0.71 0.06 -0.82 0.72 -0.23 0.00 0.00 178.00 178.44 1ub3 n HIS 52 N -3.75 2.93 -1.89 1.56 8.25 -1.26 -5.08 115.22 115.98 1ub3 n HIS 52 Ca -0.02 -2.85 -0.36 0.00 -0.26 0.00 0.00 57.72 54.23 1ub3 n HIS 52 Cb 0.16 -0.18 0.05 0.00 1.12 0.00 0.00 29.99 31.14 1ub3 n HIS 52 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ub3 s ALA 53 N -3.52 2.46 -0.40 -1.41 0.00 -1.08 -4.93 121.76 112.87 1ub3 s ALA 53 Ca 0.45 0.99 0.23 0.00 0.00 0.00 0.00 51.96 53.63 1ub3 s ALA 53 Cb 0.41 -3.46 0.35 0.00 0.00 0.00 0.00 23.12 20.42 1ub3 s ALA 53 CO -0.11 -1.32 1.61 -1.00 0.00 0.00 0.00 175.76 174.94 1ub3 h PRO 54 N 0.63 0.00 -6.32 0.00 0.13 -1.95 -3.45 132.00 121.04 1ub3 h PRO 54 Ca -0.50 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.08 1ub3 h PRO 54 Cb 1.30 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 1ub3 h PRO 54 CO 0.54 0.03 -0.23 -0.59 -0.23 0.00 0.00 178.00 177.52 1ub3 s PHE 55 N -3.21 3.47 0.22 1.56 -0.12 -1.26 -4.95 117.98 113.69 1ub3 s PHE 55 Ca 0.07 0.60 -0.30 0.00 -0.05 0.00 0.00 56.93 57.25 1ub3 s PHE 55 Cb 0.05 -2.05 -0.08 0.00 -0.63 0.00 0.00 43.02 40.30 1ub3 s PHE 55 CO 0.67 0.32 0.93 1.03 -0.05 0.00 0.00 175.22 178.12 1ub3 s ARG 56 N -3.05 4.82 -0.30 1.99 1.81 0.11 -4.87 118.95 119.47 1ub3 s ARG 56 Ca 0.43 1.46 -0.18 0.00 -1.72 0.00 0.00 55.73 55.72 1ub3 s ARG 56 Cb -0.11 -3.29 -0.02 0.00 -0.45 0.00 0.00 34.95 31.08 1ub3 s ARG 56 CO 0.26 0.48 0.53 -1.17 -0.68 0.00 0.00 175.30 174.72 1ub3 s LEU 57 N -1.01 4.16 0.04 2.53 2.96 -1.26 -0.92 118.68 125.18 1ub3 s LEU 57 Ca 0.41 0.31 0.07 0.00 -0.22 0.00 0.00 54.13 54.71 1ub3 s LEU 57 Cb -0.25 -2.65 -0.03 0.00 0.50 0.00 0.00 46.19 43.75 1ub3 s LEU 57 CO 0.31 -0.38 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.08 1ub3 s VAL 58 N 2.39 2.69 0.32 1.68 1.01 0.58 0.28 120.40 129.35 1ub3 s VAL 58 Ca 0.21 -1.23 0.02 0.00 0.00 0.00 0.00 61.98 60.98 1ub3 s VAL 58 Cb -0.15 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 1ub3 s VAL 58 CO 0.11 0.33 0.35 0.28 0.00 0.00 0.00 175.10 176.17 1ub3 s THR 59 N -0.91 0.00 0.09 3.92 -1.32 -0.93 -1.87 115.64 114.61 1ub3 s THR 59 Ca 0.14 -1.83 0.08 0.00 -1.21 0.00 0.00 61.69 58.87 1ub3 s THR 59 Cb -0.10 -2.55 -0.04 0.00 -1.51 0.00 0.00 72.50 68.30 1ub3 s THR 59 CO 0.05 0.00 -0.16 0.68 -2.21 0.00 0.00 174.62 172.98 1ub3 s VAL 60 N -3.38 2.94 -0.03 5.08 -7.23 -1.26 -0.88 120.40 115.65 1ub3 s VAL 60 Ca 0.36 -1.33 0.05 0.00 -1.81 0.00 0.00 61.98 59.25 1ub3 s VAL 60 Cb 0.02 -2.31 -0.01 0.00 0.56 0.00 0.00 36.38 34.63 1ub3 s VAL 60 CO 0.23 0.19 -0.17 -0.69 -0.31 0.00 0.00 175.10 174.35 1ub3 s VAL 61 N -1.08 1.36 -1.47 1.32 1.01 -0.47 -4.62 120.40 116.44 1ub3 s VAL 61 Ca 0.17 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.34 1ub3 s VAL 61 Cb -0.11 -1.15 0.06 0.00 0.00 0.00 0.00 36.38 35.19 1ub3 s VAL 61 CO 0.09 0.39 0.84 0.61 0.00 0.00 0.00 175.10 177.03 1ub3 n GLY 62 N 2.90 -0.50 3.74 4.51 0.00 -1.26 -1.86 105.19 112.72 1ub3 n GLY 62 Ca -0.16 0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1ub3 n GLY 62 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ub3 s PHE 63 N -3.21 3.31 -2.47 1.61 5.36 -1.26 -0.84 117.98 120.49 1ub3 s PHE 63 Ca 0.55 0.29 0.20 0.00 -0.96 0.00 0.00 56.93 57.01 1ub3 s PHE 63 Cb -0.27 -1.87 0.17 0.00 -0.34 0.00 0.00 43.02 40.72 1ub3 s PHE 63 CO 0.68 0.53 1.15 -0.35 -1.46 0.00 0.00 175.22 175.77 1ub3 n PRO 64 N 2.22 1.81 0.11 10.12 -0.04 -1.26 -4.87 135.00 143.09 1ub3 n PRO 64 Ca -0.19 -1.72 0.07 0.00 -0.04 0.00 0.00 63.50 61.62 1ub3 n PRO 64 Cb 0.54 -1.39 0.01 0.00 -0.04 0.00 0.00 33.50 32.62 1ub3 n PRO 64 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1ub3 h LEU 65 N 3.91 0.00 0.00 1.53 3.38 -1.96 -3.48 115.31 118.69 1ub3 h LEU 65 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ub3 h LEU 65 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1ub3 h LEU 65 CO 0.00 0.25 0.00 0.61 0.09 0.00 0.00 178.44 179.39 1ub3 n GLY 66 N 1.24 0.58 1.59 0.83 0.00 -0.02 -4.45 105.19 104.96 1ub3 n GLY 66 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.04 1ub3 n GLY 66 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1ub3 n TYR 67 N -2.09 1.64 -1.57 1.61 -0.00 -1.26 -3.38 117.16 112.11 1ub3 n TYR 67 Ca 0.00 -0.60 -0.32 0.00 -0.00 0.00 0.00 57.90 56.98 1ub3 n TYR 67 Cb 0.03 -0.44 0.06 0.00 -0.00 0.00 0.00 39.34 38.99 1ub3 n TYR 67 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 1ub3 s GLN 68 N -2.36 2.69 0.58 -3.48 1.11 -1.26 -4.97 119.66 111.97 1ub3 s GLN 68 Ca 0.42 1.20 -0.20 0.00 0.01 0.00 0.00 55.36 56.79 1ub3 s GLN 68 Cb 0.32 -1.95 -0.04 0.00 -1.01 0.00 0.00 33.01 30.34 1ub3 s GLN 68 CO 0.12 -1.31 1.28 -1.21 0.01 0.00 0.00 175.29 174.18 1ub3 s GLU 69 N -4.57 2.96 0.23 2.91 0.41 -1.26 -4.83 118.70 114.56 1ub3 s GLU 69 Ca 0.63 2.04 -0.07 0.00 -0.41 0.00 0.00 54.97 57.16 1ub3 s GLU 69 Cb -0.17 -2.05 0.32 0.00 -1.78 0.00 0.00 34.13 30.45 1ub3 s GLU 69 CO 0.49 -1.27 1.81 -0.22 -0.49 0.00 0.00 175.26 175.57 1ub3 h LYS 70 N 1.07 0.73 -0.10 1.61 3.64 -1.96 -0.82 116.57 120.74 1ub3 h LYS 70 Ca -0.51 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 58.78 1ub3 h LYS 70 Cb 1.31 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 1ub3 h LYS 70 CO 0.56 0.48 -0.16 0.93 -2.27 0.00 0.00 179.45 179.00 1ub3 h GLU 71 N 0.75 0.16 0.02 1.90 3.07 -1.97 -1.37 114.58 117.15 1ub3 h GLU 71 Ca 0.35 -0.04 -0.25 0.00 -0.50 0.00 0.00 59.36 58.93 1ub3 h GLU 71 Cb 0.27 -0.02 0.01 0.00 -0.84 0.00 0.00 28.75 28.17 1ub3 h GLU 71 CO -0.22 0.32 -1.02 0.28 -1.40 0.00 0.00 179.01 176.98 1ub3 h VAL 72 N 0.15 1.36 -0.51 3.13 2.07 -1.61 -1.76 116.25 119.09 1ub3 h VAL 72 Ca 0.03 -2.43 -0.06 0.00 0.82 0.00 0.00 66.70 65.06 1ub3 h VAL 72 Cb 0.37 2.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 1ub3 h VAL 72 CO 0.02 0.73 0.09 0.11 0.02 0.00 0.00 177.57 178.55 1ub3 h LYS 73 N 0.27 0.83 -0.34 1.57 1.57 -0.80 0.21 116.57 119.88 1ub3 h LYS 73 Ca -0.11 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.43 1ub3 h LYS 73 Cb 1.67 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.86 1ub3 h LYS 73 CO 0.18 0.82 0.12 0.00 -0.57 0.00 0.00 179.45 180.00 1ub3 h ALA 74 N 0.98 0.44 -0.30 3.86 0.00 -1.27 -1.04 119.26 121.93 1ub3 h ALA 74 Ca 0.16 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ub3 h ALA 74 Cb 0.38 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1ub3 h ALA 74 CO 0.01 0.06 0.19 1.25 0.00 0.00 0.00 179.25 180.75 1ub3 h LEU 75 N 0.39 0.36 -0.84 0.00 5.85 -1.19 -0.88 115.31 119.00 1ub3 h LEU 75 Ca 0.11 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1ub3 h LEU 75 Cb 0.22 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1ub3 h LEU 75 CO -0.01 0.30 0.52 -0.08 -0.34 0.00 0.00 178.44 178.83 1ub3 h GLU 76 N 0.39 1.13 -0.29 1.25 4.81 -0.81 -0.65 114.58 120.41 1ub3 h GLU 76 Ca 0.11 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1ub3 h GLU 76 Cb 0.00 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 1ub3 h GLU 76 CO -0.02 0.78 0.04 0.00 -0.73 0.00 0.00 179.01 179.08 1ub3 h ALA 77 N 1.28 0.39 -0.49 2.92 0.00 -0.87 -1.50 119.26 120.99 1ub3 h ALA 77 Ca 0.30 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ub3 h ALA 77 Cb -0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1ub3 h ALA 77 CO -0.06 0.09 0.32 0.00 0.00 0.00 0.00 179.25 179.59 1ub3 h ALA 78 N 0.87 0.62 -0.69 0.00 0.00 -0.83 -0.75 119.26 118.48 1ub3 h ALA 78 Ca 0.09 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1ub3 h ALA 78 Cb 0.35 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1ub3 h ALA 78 CO 0.01 0.07 0.25 1.25 0.00 0.00 0.00 179.25 180.83 1ub3 h LEU 79 N 0.66 0.97 -0.41 0.00 5.85 -1.05 -0.04 115.31 121.28 1ub3 h LEU 79 Ca 0.18 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1ub3 h LEU 79 Cb -0.06 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.70 1ub3 h LEU 79 CO -0.04 0.89 0.19 0.00 -0.34 0.00 0.00 178.44 179.15 1ub3 h ALA 80 N 1.11 0.53 -0.51 1.25 0.00 -0.88 -0.45 119.26 120.31 1ub3 h ALA 80 Ca 0.23 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1ub3 h ALA 80 Cb 0.25 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1ub3 h ALA 80 CO -0.01 0.10 -0.15 0.00 0.00 0.00 0.00 179.25 179.19 1ub3 h ALA 82 N 0.95 1.46 -0.00 0.00 0.00 -0.80 -2.11 119.26 118.75 1ub3 h ALA 82 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ub3 h ALA 82 Cb 0.71 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ub3 h ALA 82 CO 0.05 0.40 -0.03 0.54 0.00 0.00 0.00 179.25 180.21 1ub3 n ARG 83 N -4.33 0.99 0.00 0.00 1.74 -0.20 -4.89 116.66 109.97 1ub3 n ARG 83 Ca 0.02 -0.25 0.00 0.00 -0.77 0.00 0.00 57.85 56.85 1ub3 n ARG 83 Cb 0.19 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 1ub3 n ARG 83 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ub3 n GLY 84 N 1.13 0.91 3.76 -0.13 0.00 -0.79 -3.80 105.19 106.27 1ub3 n GLY 84 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1ub3 n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ub3 s ALA 85 N -0.76 3.49 -0.12 4.61 0.00 -0.20 -4.78 121.76 124.00 1ub3 s ALA 85 Ca 0.00 1.14 0.16 0.00 0.00 0.00 0.00 51.96 53.26 1ub3 s ALA 85 Cb 0.00 -3.44 -0.23 0.00 0.00 0.00 0.00 23.12 19.45 1ub3 s ALA 85 CO 0.00 -0.50 0.44 -0.25 0.00 0.00 0.00 175.76 175.45 1ub3 n ASP 86 N 1.37 0.46 -3.95 0.00 10.43 0.14 -4.45 116.55 120.55 1ub3 n ASP 86 Ca 0.01 0.21 -0.09 0.00 2.57 0.00 0.00 54.79 57.49 1ub3 n ASP 86 Cb 0.43 0.55 -0.10 0.00 1.84 0.00 0.00 41.12 43.83 1ub3 n ASP 86 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1ub3 s GLU 87 N -2.68 0.42 -0.05 -1.24 2.02 -0.79 -2.03 118.70 114.35 1ub3 s GLU 87 Ca -0.07 -0.62 0.02 0.00 0.02 0.00 0.00 54.97 54.32 1ub3 s GLU 87 Cb 0.08 0.16 0.01 0.00 0.10 0.00 0.00 34.13 34.48 1ub3 s GLU 87 CO 0.83 -0.09 -0.09 0.08 0.02 0.00 0.00 175.26 176.01 1ub3 s VAL 88 N -1.81 0.89 -0.40 2.63 1.01 -0.37 -2.20 120.40 120.15 1ub3 s VAL 88 Ca -0.12 -0.35 -0.07 0.00 0.00 0.00 0.00 61.98 61.44 1ub3 s VAL 88 Cb -0.07 -0.83 0.08 0.00 0.00 0.00 0.00 36.38 35.57 1ub3 s VAL 88 CO -0.02 0.30 0.22 -1.81 0.00 0.00 0.00 175.10 173.79 1ub3 s ASP 89 N 0.65 5.49 0.02 3.32 1.11 -0.06 -0.63 116.67 126.57 1ub3 s ASP 89 Ca -0.12 -1.58 -0.01 0.00 0.18 0.00 0.00 52.55 51.02 1ub3 s ASP 89 Cb -0.14 -1.93 -0.04 0.00 1.07 0.00 0.00 42.92 41.88 1ub3 s ASP 89 CO 0.02 -0.51 0.18 0.00 1.18 0.00 0.00 175.17 176.04 1ub3 s MET 90 N 1.35 3.39 -0.04 8.23 0.23 0.14 -1.37 119.30 131.24 1ub3 s MET 90 Ca 0.03 -0.39 -0.10 0.00 -1.03 0.00 0.00 55.69 54.20 1ub3 s MET 90 Cb -0.23 -3.04 -0.05 0.00 -1.53 0.00 0.00 34.83 29.98 1ub3 s MET 90 CO 0.01 0.65 0.28 0.08 -2.03 0.00 0.00 175.02 174.00 1ub3 s VAL 91 N -1.38 5.27 0.74 5.16 1.01 -0.78 0.28 120.40 130.70 1ub3 s VAL 91 Ca 0.30 0.42 -0.11 0.00 0.00 0.00 0.00 61.98 62.59 1ub3 s VAL 91 Cb -0.13 -3.56 0.03 0.00 0.00 0.00 0.00 36.38 32.73 1ub3 s VAL 91 CO 0.22 0.52 1.08 -0.76 0.00 0.00 0.00 175.10 176.15 1ub3 s LEU 92 N -1.28 2.91 -0.53 3.92 1.43 -1.01 -4.74 118.68 119.38 1ub3 s LEU 92 Ca 0.22 1.49 -0.28 0.00 -1.03 0.00 0.00 54.13 54.53 1ub3 s LEU 92 Cb -0.14 -4.26 0.02 0.00 0.03 0.00 0.00 46.19 41.84 1ub3 s LEU 92 CO 0.11 -1.67 1.30 -2.28 0.23 0.00 0.00 176.35 174.04 1ub3 s HIS 93 N -3.09 2.49 0.02 0.29 5.65 -1.22 -4.38 115.29 115.06 1ub3 s HIS 93 Ca 0.59 0.52 0.30 0.00 0.25 0.00 0.00 55.06 56.72 1ub3 s HIS 93 Cb -0.14 -4.43 1.12 0.00 -1.18 0.00 0.00 32.58 27.95 1ub3 s HIS 93 CO 0.55 -1.74 1.90 -0.07 -0.65 0.00 0.00 174.74 174.72 1ub3 h LEU 94 N 12.29 0.00 0.03 8.88 3.38 -1.78 -1.40 115.31 136.71 1ub3 h LEU 94 Ca -0.26 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.45 1ub3 h LEU 94 Cb 1.08 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.85 1ub3 h LEU 94 CO 1.16 0.05 -1.03 1.23 0.09 0.00 0.00 178.44 179.93 1ub3 h GLY 95 N 2.36 0.71 1.63 0.83 0.00 -1.91 -0.24 103.07 106.45 1ub3 h GLY 95 Ca -0.00 -1.32 -0.13 0.00 0.00 0.00 0.00 47.33 45.87 1ub3 h GLY 95 CO 0.01 1.17 -0.47 3.21 0.00 0.00 0.00 176.54 180.45 1ub3 h ARG 96 N 0.28 0.40 -0.21 4.80 2.47 -1.91 -1.77 114.38 118.45 1ub3 h ARG 96 Ca -0.14 -0.22 -0.03 0.00 -1.26 0.00 0.00 59.98 58.33 1ub3 h ARG 96 Cb 1.70 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 30.03 1ub3 h ARG 96 CO 0.20 0.79 0.03 0.00 0.56 0.00 0.00 179.97 181.55 1ub3 h ALA 97 N 1.17 0.28 -0.52 0.04 0.00 -1.20 0.44 119.26 119.47 1ub3 h ALA 97 Ca 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1ub3 h ALA 97 Cb 0.96 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1ub3 h ALA 97 CO 0.08 -0.04 0.30 -0.22 0.00 0.00 0.00 179.25 179.37 1ub3 h LYS 98 N 0.14 0.70 0.00 0.00 1.63 -0.91 -0.71 116.57 117.41 1ub3 h LYS 98 Ca 0.06 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1ub3 h LYS 98 Cb 0.33 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.81 1ub3 h LYS 98 CO 0.01 0.50 0.00 0.00 -3.45 0.00 0.00 179.45 176.51 1ub3 n ALA 99 N -2.46 2.37 -1.48 5.00 0.00 -0.68 -4.91 120.51 118.36 1ub3 n ALA 99 Ca 0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 53.44 53.34 1ub3 n ALA 99 Cb 0.08 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.07 1ub3 n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ub3 n GLY 100 N 1.21 0.44 3.23 0.00 0.00 -0.27 -4.96 105.19 104.84 1ub3 n GLY 100 Ca 0.12 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.81 1ub3 n GLY 100 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ub3 n ASP 101 N 1.59 4.91 0.21 1.61 -0.08 0.08 -4.77 116.55 120.09 1ub3 n ASP 101 Ca -0.03 -2.97 0.06 0.00 -1.51 0.00 0.00 54.79 50.34 1ub3 n ASP 101 Cb 0.27 -1.61 0.52 0.00 2.34 0.00 0.00 41.12 42.64 1ub3 n ASP 101 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1ub3 h LEU 102 N 10.01 0.06 -0.27 -2.67 3.38 -1.93 -2.48 115.31 121.41 1ub3 h LEU 102 Ca 0.41 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1ub3 h LEU 102 Cb 0.78 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1ub3 h LEU 102 CO 1.49 0.17 0.18 0.44 0.09 0.00 0.00 178.44 180.80 1ub3 h ASP 103 N 0.06 0.30 -0.35 -0.43 5.19 -1.98 -1.22 116.42 118.00 1ub3 h ASP 103 Ca 0.01 -0.01 0.01 0.00 -0.62 0.00 0.00 57.03 56.42 1ub3 h ASP 103 Cb 0.22 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.64 1ub3 h ASP 103 CO 0.01 0.22 0.23 0.22 -3.12 0.00 0.00 179.24 176.80 1ub3 h TYR 104 N 0.36 0.43 -0.09 4.55 3.20 -1.86 -0.82 116.97 122.74 1ub3 h TYR 104 Ca 0.10 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.99 1ub3 h TYR 104 Cb -0.04 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 1ub3 h TYR 104 CO -0.06 0.27 0.03 -0.07 -1.64 0.00 0.00 178.16 176.68 1ub3 h LEU 105 N 0.46 0.03 -0.82 2.82 3.38 -1.23 -0.63 115.31 119.32 1ub3 h LEU 105 Ca 0.13 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1ub3 h LEU 105 Cb -0.04 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1ub3 h LEU 105 CO -0.03 0.03 0.46 -0.08 0.09 0.00 0.00 178.44 178.91 1ub3 h GLU 106 N 0.08 1.14 -0.60 1.13 4.81 -1.08 -1.93 114.58 118.13 1ub3 h GLU 106 Ca 0.04 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 1ub3 h GLU 106 Cb 0.02 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.15 1ub3 h GLU 106 CO -0.04 0.83 0.18 0.00 -0.73 0.00 0.00 179.01 179.25 1ub3 h ALA 107 N 1.24 0.79 -0.13 2.92 0.00 -0.77 0.87 119.26 124.19 1ub3 h ALA 107 Ca 0.29 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 1ub3 h ALA 107 Cb 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1ub3 h ALA 107 CO -0.05 0.46 -0.61 1.05 0.00 0.00 0.00 179.25 180.10 1ub3 h GLU 108 N 0.86 0.44 -0.33 0.00 4.11 -0.94 -0.12 114.58 118.60 1ub3 h GLU 108 Ca 0.19 -0.30 -0.06 0.00 0.07 0.00 0.00 59.36 59.26 1ub3 h GLU 108 Cb 0.30 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1ub3 h GLU 108 CO -0.00 0.92 -0.04 0.28 0.07 0.00 0.00 179.01 180.24 1ub3 h VAL 109 N 0.33 1.27 -0.17 -1.06 2.07 -1.19 -2.16 116.25 115.33 1ub3 h VAL 109 Ca -0.01 -1.04 -0.06 0.00 0.82 0.00 0.00 66.70 66.41 1ub3 h VAL 109 Cb 1.15 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 1ub3 h VAL 109 CO 0.11 0.34 -0.16 -0.09 0.02 0.00 0.00 177.57 177.78 1ub3 h ARG 110 N 0.40 0.29 -0.23 1.57 9.65 -0.67 0.22 114.38 125.60 1ub3 h ARG 110 Ca 0.09 -0.08 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 1ub3 h ARG 110 Cb 0.51 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.04 1ub3 h ARG 110 CO 0.02 0.45 0.10 0.00 2.80 0.00 0.00 179.97 183.35 1ub3 h ALA 111 N 1.57 0.29 -0.36 2.80 0.00 -0.77 -0.82 119.26 121.97 1ub3 h ALA 111 Ca 0.05 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1ub3 h ALA 111 Cb 0.45 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1ub3 h ALA 111 CO 0.03 -0.14 0.01 0.28 0.00 0.00 0.00 179.25 179.43 1ub3 h VAL 112 N 0.23 1.26 -0.66 0.00 2.07 -1.06 -2.05 116.25 116.04 1ub3 h VAL 112 Ca 0.08 -0.96 0.11 0.00 0.82 0.00 0.00 66.70 66.75 1ub3 h VAL 112 Cb 0.14 1.17 -0.08 0.00 -1.52 0.00 0.00 31.29 31.00 1ub3 h VAL 112 CO -0.01 0.32 0.24 -0.09 0.02 0.00 0.00 177.57 178.05 1ub3 h ARG 113 N 0.44 0.39 0.00 1.57 9.65 -0.31 -1.14 114.38 124.98 1ub3 h ARG 113 Ca 0.10 -0.02 -0.05 0.00 -1.10 0.00 0.00 59.98 58.91 1ub3 h ARG 113 Cb 0.44 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.93 1ub3 h ARG 113 CO 0.02 0.26 -0.24 0.93 2.80 0.00 0.00 179.97 183.74 1ub3 h GLU 114 N 0.40 0.00 0.01 0.20 5.08 -0.99 -2.62 114.58 116.66 1ub3 h GLU 114 Ca 0.34 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.51 1ub3 h GLU 114 Cb 0.47 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1ub3 h GLU 114 CO -0.35 0.24 -0.88 0.00 -1.00 0.00 0.00 179.01 177.01 1ub3 h ALA 115 N 1.76 0.54 -2.10 3.43 0.00 -0.50 -3.37 119.26 119.02 1ub3 h ALA 115 Ca -0.00 -0.75 -0.56 0.00 0.00 0.00 0.00 54.91 53.60 1ub3 h ALA 115 Cb 0.84 -0.10 -0.41 0.00 0.00 0.00 0.00 17.79 18.13 1ub3 h ALA 115 CO 0.03 0.98 -0.90 1.33 0.00 0.00 0.00 179.25 180.69 1ub3 n VAL 116 N -3.60 0.90 0.34 0.00 0.24 -0.71 -4.63 118.33 110.86 1ub3 n VAL 116 Ca -0.02 -4.73 0.22 0.00 -2.04 0.00 0.00 64.34 57.77 1ub3 n VAL 116 Cb 0.82 -1.57 1.20 0.00 -1.47 0.00 0.00 33.84 32.81 1ub3 n VAL 116 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1ub3 h PRO 117 N 3.69 0.00 -0.01 7.34 0.13 -1.64 -2.51 132.00 138.99 1ub3 h PRO 117 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1ub3 h PRO 117 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1ub3 h PRO 117 CO 0.64 0.00 -0.59 1.04 -0.23 0.00 0.00 178.00 178.85 1ub3 n GLN 118 N -3.16 1.00 -2.70 0.86 6.02 -1.26 -4.97 117.38 113.17 1ub3 n GLN 118 Ca -0.03 -0.74 -0.24 0.00 -0.01 0.00 0.00 57.00 55.98 1ub3 n GLN 118 Cb 0.07 -1.46 0.03 0.00 1.02 0.00 0.00 30.24 29.89 1ub3 n GLN 118 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ub3 s ALA 119 N -2.55 3.62 -0.19 -1.58 0.00 -0.95 -5.03 121.76 115.08 1ub3 s ALA 119 Ca 0.15 -1.00 -0.20 0.00 0.00 0.00 0.00 51.96 50.91 1ub3 s ALA 119 Cb 0.17 -2.28 -0.03 0.00 0.00 0.00 0.00 23.12 20.98 1ub3 s ALA 119 CO 0.63 -0.63 0.61 0.08 0.00 0.00 0.00 175.76 176.44 1ub3 s VAL 120 N -2.76 5.04 -0.28 0.00 1.01 -0.86 -4.99 120.40 117.57 1ub3 s VAL 120 Ca 0.52 1.14 -0.07 0.00 0.00 0.00 0.00 61.98 63.57 1ub3 s VAL 120 Cb -0.10 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 1ub3 s VAL 120 CO 0.40 0.13 0.08 -0.22 0.00 0.00 0.00 175.10 175.50 1ub3 s LEU 121 N 1.79 3.70 -0.09 3.92 2.96 -1.26 -1.23 118.68 128.46 1ub3 s LEU 121 Ca 0.28 -0.47 -0.02 0.00 -0.22 0.00 0.00 54.13 53.70 1ub3 s LEU 121 Cb -0.16 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 1ub3 s LEU 121 CO 0.10 -0.13 -0.01 -0.54 -1.32 0.00 0.00 176.35 174.46 1ub3 s LYS 122 N 1.56 3.05 -0.21 1.98 1.02 0.20 -0.24 119.74 127.11 1ub3 s LYS 122 Ca 0.05 -0.43 -0.01 0.00 0.02 0.00 0.00 55.97 55.60 1ub3 s LYS 122 Cb -0.16 -2.79 0.01 0.00 -0.52 0.00 0.00 37.83 34.37 1ub3 s LYS 122 CO 0.03 0.65 -0.12 0.08 -0.92 0.00 0.00 175.35 175.06 1ub3 s VAL 123 N -0.73 2.62 -0.21 3.17 1.01 -0.24 -0.68 120.40 125.35 1ub3 s VAL 123 Ca 0.11 -0.83 -0.25 0.00 0.00 0.00 0.00 61.98 61.01 1ub3 s VAL 123 Cb -0.12 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 1ub3 s VAL 123 CO 0.02 0.43 0.83 -0.63 0.00 0.00 0.00 175.10 175.74 1ub3 s ILE 124 N 1.35 4.86 -0.38 2.22 1.01 0.14 -0.43 121.20 129.98 1ub3 s ILE 124 Ca 0.04 1.59 0.23 0.00 0.00 0.00 0.00 60.65 62.51 1ub3 s ILE 124 Cb -0.14 -4.12 -0.05 0.00 0.01 0.00 0.00 42.46 38.15 1ub3 s ILE 124 CO -0.08 -0.03 1.03 0.18 0.00 0.00 0.00 174.94 176.05 1ub3 n LEU 125 N 5.64 0.68 -3.58 2.97 4.77 -0.28 -2.39 117.00 124.82 1ub3 n LEU 125 Ca 0.05 0.20 -0.26 0.00 -0.03 0.00 0.00 56.01 55.96 1ub3 n LEU 125 Cb 0.48 -0.08 0.04 0.00 -2.33 0.00 0.00 43.42 41.53 1ub3 n LEU 125 CO 0.48 -0.09 -0.03 1.21 -1.33 0.00 0.00 177.39 177.62 1ub3 n GLU 126 N -2.37 -1.37 0.12 3.23 4.07 -0.66 -4.83 120.64 118.83 1ub3 n GLU 126 Ca 0.01 0.61 0.19 0.00 -0.06 0.00 0.00 57.16 57.92 1ub3 n GLU 126 Cb 0.51 -4.36 0.71 0.00 -0.06 0.00 0.00 31.44 28.24 1ub3 n GLU 126 CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 1ub3 h THR 127 N -1.49 0.24 0.00 6.31 1.35 -1.55 -2.61 112.91 115.16 1ub3 h THR 127 Ca -0.60 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1ub3 h THR 127 Cb 1.33 0.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 1ub3 h THR 127 CO 0.45 0.00 0.04 1.23 -0.25 0.00 0.00 175.52 176.99 1ub3 h GLY 128 N 0.00 0.00 -0.45 5.82 0.00 -1.84 -1.61 103.07 104.99 1ub3 h GLY 128 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1ub3 h GLY 128 CO -0.00 0.00 -0.57 -1.72 0.00 0.00 0.00 176.54 174.25 1ub3 n TYR 129 N -2.83 0.00 -4.35 5.60 4.01 -0.98 -4.86 117.16 113.74 1ub3 n TYR 129 Ca -0.02 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.52 1ub3 n TYR 129 Cb 0.10 -0.03 -0.10 0.00 -0.31 0.00 0.00 39.34 38.99 1ub3 n TYR 129 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1ub3 s PHE 130 N -2.64 1.79 0.58 -0.72 0.08 -0.61 -5.07 117.98 111.40 1ub3 s PHE 130 Ca 0.16 -0.52 -0.07 0.00 0.12 0.00 0.00 56.93 56.63 1ub3 s PHE 130 Cb 0.18 -0.84 -0.01 0.00 -0.57 0.00 0.00 43.02 41.77 1ub3 s PHE 130 CO 0.64 0.38 0.92 -1.54 -0.10 0.00 0.00 175.22 175.52 1ub3 s SER 131 N -3.11 5.81 0.29 1.36 1.04 -1.26 -4.82 113.70 113.00 1ub3 s SER 131 Ca 0.21 0.91 0.03 0.00 0.48 0.00 0.00 55.95 57.58 1ub3 s SER 131 Cb -0.03 -1.96 0.62 0.00 0.10 0.00 0.00 66.02 64.75 1ub3 s SER 131 CO 0.07 -0.96 1.82 -0.65 0.98 0.00 0.00 173.24 174.50 1ub3 h PRO 132 N -0.16 0.90 0.52 4.02 0.11 -1.99 0.76 132.00 136.16 1ub3 h PRO 132 Ca -0.46 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1ub3 h PRO 132 Cb 1.24 -0.20 0.01 0.00 0.11 0.00 0.00 31.00 32.15 1ub3 h PRO 132 CO 0.61 0.59 -0.25 0.93 -0.21 0.00 0.00 178.00 179.68 1ub3 h GLU 133 N 0.92 -0.68 -0.82 1.05 3.07 -2.00 -1.78 114.58 114.35 1ub3 h GLU 133 Ca 0.52 0.05 0.05 0.00 -0.50 0.00 0.00 59.36 59.48 1ub3 h GLU 133 Cb 0.62 0.15 -0.06 0.00 -0.84 0.00 0.00 28.75 28.63 1ub3 h GLU 133 CO -0.30 -0.45 0.51 0.93 -1.40 0.00 0.00 179.01 178.30 1ub3 h GLU 134 N -0.72 0.93 -0.76 2.33 5.08 -1.65 -2.97 114.58 116.81 1ub3 h GLU 134 Ca -0.07 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1ub3 h GLU 134 Cb 0.55 -0.21 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 1ub3 h GLU 134 CO 0.12 0.61 0.46 0.82 -1.00 0.00 0.00 179.01 180.02 1ub3 h ILE 135 N 0.95 1.04 -0.88 3.13 2.04 -0.64 -0.65 117.51 122.51 1ub3 h ILE 135 Ca 0.35 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 1ub3 h ILE 135 Cb 0.11 0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 36.24 1ub3 h ILE 135 CO -0.15 0.16 0.49 0.00 0.00 0.00 0.00 178.15 178.65 1ub3 h ALA 136 N 1.36 1.12 -0.21 1.87 0.00 -1.18 0.20 119.26 122.42 1ub3 h ALA 136 Ca 0.33 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 1ub3 h ALA 136 Cb 0.12 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1ub3 h ALA 136 CO -0.15 0.62 -0.39 0.00 0.00 0.00 0.00 179.25 179.33 1ub3 h ARG 137 N 1.22 0.64 -0.84 0.00 3.08 -1.29 -1.79 114.38 115.40 1ub3 h ARG 137 Ca 0.31 -0.40 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1ub3 h ARG 137 Cb 0.02 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 1ub3 h ARG 137 CO -0.05 1.02 0.50 -0.07 -1.07 0.00 0.00 179.97 180.30 1ub3 h LEU 138 N 0.33 1.01 -0.62 3.04 3.38 -0.82 -2.07 115.31 119.56 1ub3 h LEU 138 Ca 0.01 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1ub3 h LEU 138 Cb 0.99 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 1ub3 h LEU 138 CO 0.09 0.78 0.33 0.00 0.09 0.00 0.00 178.44 179.73 1ub3 h ALA 139 N 1.27 0.80 -0.60 1.53 0.00 -0.81 -1.13 119.26 120.32 1ub3 h ALA 139 Ca 0.30 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1ub3 h ALA 139 Cb -0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 1ub3 h ALA 139 CO -0.06 0.33 0.22 1.49 0.00 0.00 0.00 179.25 181.23 1ub3 h GLU 140 N 0.85 0.92 -0.61 0.00 4.57 -1.07 -0.47 114.58 118.77 1ub3 h GLU 140 Ca 0.22 -0.18 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1ub3 h GLU 140 Cb 0.06 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.48 1ub3 h GLU 140 CO -0.03 0.80 0.30 0.00 -1.18 0.00 0.00 179.01 178.89 1ub3 h ALA 141 N 1.08 0.78 -0.67 2.92 0.00 -1.10 -0.03 119.26 122.24 1ub3 h ALA 141 Ca 0.20 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1ub3 h ALA 141 Cb 0.24 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1ub3 h ALA 141 CO -0.01 0.34 0.31 0.00 0.00 0.00 0.00 179.25 179.89 1ub3 h ALA 142 N 1.13 0.86 -0.52 0.00 0.00 -0.88 -0.98 119.26 118.87 1ub3 h ALA 142 Ca 0.21 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1ub3 h ALA 142 Cb 0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1ub3 h ALA 142 CO -0.03 0.44 0.06 0.82 0.00 0.00 0.00 179.25 180.54 1ub3 h ILE 143 N 0.93 1.26 0.00 0.00 2.04 -0.71 -1.75 117.51 119.27 1ub3 h ILE 143 Ca 0.23 -0.98 -0.03 0.00 1.00 0.00 0.00 64.86 65.07 1ub3 h ILE 143 Cb 0.14 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1ub3 h ILE 143 CO -0.03 0.35 -0.15 0.03 0.00 0.00 0.00 178.15 178.35 1ub3 h ARG 144 N 0.75 0.00 0.00 2.37 3.08 -0.72 -1.43 114.38 118.44 1ub3 h ARG 144 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1ub3 h ARG 144 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1ub3 h ARG 144 CO 0.01 0.15 0.00 0.41 -1.07 0.00 0.00 179.97 179.48 1ub3 n GLY 145 N -1.09 -1.43 0.00 0.04 0.00 -0.40 -4.90 105.19 97.42 1ub3 n GLY 145 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1ub3 n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ub3 n GLY 146 N 0.87 1.29 3.75 -0.02 0.00 -0.54 -3.23 105.19 107.31 1ub3 n GLY 146 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1ub3 n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ub3 n ALA 147 N -0.93 2.07 -0.05 4.61 0.00 -0.71 -4.89 120.51 120.62 1ub3 n ALA 147 Ca 0.00 0.35 -0.07 0.00 0.00 0.00 0.00 53.44 53.72 1ub3 n ALA 147 Cb 0.00 -2.38 -0.14 0.00 0.00 0.00 0.00 19.45 16.93 1ub3 n ALA 147 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ub3 n ASP 148 N 0.71 0.47 -4.07 0.00 8.00 0.67 -4.72 116.55 117.61 1ub3 n ASP 148 Ca 0.03 0.22 -0.12 0.00 0.71 0.00 0.00 54.79 55.63 1ub3 n ASP 148 Cb 0.38 0.50 -0.11 0.00 -0.02 0.00 0.00 41.12 41.86 1ub3 n ASP 148 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1ub3 s PHE 149 N -2.63 0.67 -0.20 1.24 0.40 -0.72 -0.80 117.98 115.94 1ub3 s PHE 149 Ca -0.07 -0.58 -0.01 0.00 -0.60 0.00 0.00 56.93 55.67 1ub3 s PHE 149 Cb 0.07 -0.41 0.00 0.00 0.51 0.00 0.00 43.02 43.20 1ub3 s PHE 149 CO 0.83 -0.11 -0.12 -0.51 0.70 0.00 0.00 175.22 176.01 1ub3 s LEU 150 N -1.82 2.52 -0.12 -0.37 1.43 0.14 -1.07 118.68 119.37 1ub3 s LEU 150 Ca -0.07 -0.51 -0.03 0.00 -1.03 0.00 0.00 54.13 52.49 1ub3 s LEU 150 Cb -0.07 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 1ub3 s LEU 150 CO -0.01 -0.00 -0.01 -0.75 0.23 0.00 0.00 176.35 175.81 1ub3 s LYS 151 N 1.33 3.37 0.07 1.70 2.20 0.43 -0.76 119.74 128.08 1ub3 s LYS 151 Ca 0.04 -0.45 -0.20 0.00 -0.36 0.00 0.00 55.97 55.01 1ub3 s LYS 151 Cb -0.14 -2.89 -0.10 0.00 -1.51 0.00 0.00 37.83 33.19 1ub3 s LYS 151 CO -0.07 0.47 1.50 1.79 -0.36 0.00 0.00 175.35 178.67 1ub3 h THR 152 N 4.63 1.26 -3.80 3.43 1.35 -1.65 -0.72 112.91 117.41 1ub3 h THR 152 Ca -0.41 -0.88 -0.09 0.00 -0.55 0.00 0.00 66.41 64.48 1ub3 h THR 152 Cb 1.19 1.45 -0.12 0.00 -1.73 0.00 0.00 68.15 68.93 1ub3 h THR 152 CO 0.60 0.27 -0.28 -0.44 -0.25 0.00 0.00 175.52 175.41 1ub3 s SER 153 N -5.86 0.01 0.18 5.36 0.01 -1.26 -1.37 113.70 110.78 1ub3 s SER 153 Ca -0.14 -0.78 0.17 0.00 1.31 0.00 0.00 55.95 56.51 1ub3 s SER 153 Cb 0.07 0.44 -0.02 0.00 0.21 0.00 0.00 66.02 66.71 1ub3 s SER 153 CO 0.73 -0.89 1.11 0.71 0.41 0.00 0.00 173.24 175.31 1ub3 h THR 154 N 2.53 0.52 0.00 1.44 1.35 -1.87 -3.43 112.91 113.44 1ub3 h THR 154 Ca -0.32 -1.87 0.00 0.00 -0.55 0.00 0.00 66.41 63.68 1ub3 h THR 154 Cb 1.23 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 69.73 1ub3 h THR 154 CO 0.48 0.30 0.00 0.61 -0.25 0.00 0.00 175.52 176.66 1ub3 n GLY 155 N 1.29 0.76 0.00 5.82 0.00 -1.26 -4.83 105.19 106.97 1ub3 n GLY 155 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1ub3 n GLY 155 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ub3 n PHE 156 N -2.00 0.00 -1.56 1.61 3.01 -1.26 -4.95 117.46 112.31 1ub3 n PHE 156 Ca 0.00 -0.08 0.00 0.00 1.01 0.00 0.00 57.45 58.38 1ub3 n PHE 156 Cb 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.46 1ub3 n PHE 156 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ub3 n GLY 157 N -0.08 0.63 0.36 1.37 0.00 -1.26 -4.99 105.19 101.23 1ub3 n GLY 157 Ca 0.00 -1.89 0.10 0.00 0.00 0.00 0.00 46.02 44.23 1ub3 n GLY 157 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ub3 h PRO 158 N 0.00 0.60 -3.00 1.61 0.11 -1.96 -3.45 132.00 125.91 1ub3 h PRO 158 Ca 0.00 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 66.12 1ub3 h PRO 158 Cb 0.00 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 30.94 1ub3 h PRO 158 CO 0.00 0.40 0.24 -0.98 -0.21 0.00 0.00 178.00 177.45 1ub3 s ARG 159 N -5.57 1.90 0.00 1.05 1.70 -1.26 -5.07 118.95 111.70 1ub3 s ARG 159 Ca -0.09 -1.10 0.00 0.00 -0.47 0.00 0.00 55.73 54.07 1ub3 s ARG 159 Cb 0.20 0.61 0.00 0.00 -0.57 0.00 0.00 34.95 35.19 1ub3 s ARG 159 CO 0.77 -0.88 0.00 0.41 -1.08 0.00 0.00 175.30 174.52 1ub3 n GLY 160 N -0.48 1.39 3.77 3.88 0.00 -1.26 -4.71 105.19 107.78 1ub3 n GLY 160 Ca -0.05 -1.98 -0.36 0.00 0.00 0.00 0.00 46.02 43.63 1ub3 n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ub3 s ALA 161 N -2.38 2.75 0.16 4.61 0.00 -0.59 -4.87 121.76 121.43 1ub3 s ALA 161 Ca 0.00 0.95 0.08 0.00 0.00 0.00 0.00 51.96 52.99 1ub3 s ALA 161 Cb 0.00 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 1ub3 s ALA 161 CO 0.00 -0.89 -0.18 -1.54 0.00 0.00 0.00 175.76 173.15 1ub3 s SER 162 N -1.53 2.66 0.37 0.00 1.04 -1.26 -4.99 113.70 109.98 1ub3 s SER 162 Ca 0.71 -0.84 0.07 0.00 0.48 0.00 0.00 55.95 56.37 1ub3 s SER 162 Cb -0.28 -0.15 0.71 0.00 0.10 0.00 0.00 66.02 66.39 1ub3 s SER 162 CO 0.33 -0.03 1.91 -0.07 0.98 0.00 0.00 173.24 176.36 1ub3 h LEU 163 N 3.34 0.38 -0.92 2.42 3.38 -1.96 -2.05 115.31 119.89 1ub3 h LEU 163 Ca -0.43 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.42 1ub3 h LEU 163 Cb 1.20 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 1ub3 h LEU 163 CO 0.50 0.46 0.16 -0.33 0.09 0.00 0.00 178.44 179.32 1ub3 h GLU 164 N 0.40 0.95 0.15 1.13 3.07 -1.99 -1.31 114.58 116.98 1ub3 h GLU 164 Ca 0.09 -0.20 0.01 0.00 -0.50 0.00 0.00 59.36 58.76 1ub3 h GLU 164 Cb 0.30 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.05 1ub3 h GLU 164 CO 0.01 0.84 -0.23 -0.44 -1.40 0.00 0.00 179.01 177.79 1ub3 h ASP 165 N 0.91 -0.63 -0.11 1.42 3.45 -1.78 -1.36 116.42 118.32 1ub3 h ASP 165 Ca 0.20 0.07 0.00 0.00 0.43 0.00 0.00 57.03 57.73 1ub3 h ASP 165 Cb 0.31 0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 39.31 1ub3 h ASP 165 CO -0.00 -0.32 0.07 0.58 -1.57 0.00 0.00 179.24 178.00 1ub3 h VAL 166 N -0.44 1.02 -0.80 -1.35 2.07 -1.27 -0.41 116.25 115.06 1ub3 h VAL 166 Ca 0.02 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.54 1ub3 h VAL 166 Cb 0.45 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1ub3 h VAL 166 CO -0.10 0.03 0.50 0.00 0.02 0.00 0.00 177.57 178.01 1ub3 h ALA 167 N 1.04 1.08 -0.14 1.67 0.00 -1.14 -1.29 119.26 120.48 1ub3 h ALA 167 Ca 0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1ub3 h ALA 167 Cb -0.01 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1ub3 h ALA 167 CO -0.01 0.26 -0.01 1.25 0.00 0.00 0.00 179.25 180.73 1ub3 h LEU 168 N 0.93 0.25 -0.86 0.00 5.85 -1.01 -2.97 115.31 117.50 1ub3 h LEU 168 Ca 0.34 -0.34 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1ub3 h LEU 168 Cb 0.10 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 1ub3 h LEU 168 CO -0.15 0.53 0.41 -0.07 -0.34 0.00 0.00 178.44 178.82 1ub3 h LEU 169 N -0.03 1.12 -1.17 2.25 3.38 -0.74 -1.16 115.31 118.96 1ub3 h LEU 169 Ca 0.04 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1ub3 h LEU 169 Cb 0.41 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1ub3 h LEU 169 CO 0.01 0.94 -0.18 -0.37 0.09 0.00 0.00 178.44 178.93 1ub3 h VAL 170 N 1.22 1.23 0.03 1.22 -1.51 -1.29 0.30 116.25 117.44 1ub3 h VAL 170 Ca 0.29 -1.03 -0.22 0.00 -1.23 0.00 0.00 66.70 64.51 1ub3 h VAL 170 Cb 0.12 1.26 -0.00 0.00 -2.13 0.00 0.00 31.29 30.54 1ub3 h VAL 170 CO -0.04 0.32 -0.98 0.03 -1.23 0.00 0.00 177.57 175.68 1ub3 h ARG 171 N 0.33 0.28 -0.13 5.19 3.08 -1.28 -2.76 114.38 119.10 1ub3 h ARG 171 Ca 0.06 -0.34 -0.21 0.00 0.07 0.00 0.00 59.98 59.55 1ub3 h ARG 171 Cb 0.51 0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.68 1ub3 h ARG 171 CO 0.03 1.07 -0.75 0.28 -1.07 0.00 0.00 179.97 179.53 1ub3 h VAL 172 N 0.14 1.29 -0.39 2.04 2.07 -1.00 -3.24 116.25 117.17 1ub3 h VAL 172 Ca -0.07 -1.97 -0.02 0.00 0.82 0.00 0.00 66.70 65.46 1ub3 h VAL 172 Cb 1.63 2.05 -0.02 0.00 -1.52 0.00 0.00 31.29 33.44 1ub3 h VAL 172 CO 0.16 0.62 0.17 0.00 0.02 0.00 0.00 177.57 178.53 1ub3 h ALA 173 N 0.52 1.57 -6.48 1.67 0.00 -0.94 -3.47 119.26 112.13 1ub3 h ALA 173 Ca -0.06 -0.10 -0.51 0.00 0.00 0.00 0.00 54.91 54.25 1ub3 h ALA 173 Cb 1.39 -0.16 -0.10 0.00 0.00 0.00 0.00 17.79 18.91 1ub3 h ALA 173 CO 0.15 0.34 -0.79 1.04 0.00 0.00 0.00 179.25 180.00 1ub3 n GLN 174 N -4.39 -4.62 -0.47 0.00 6.02 -1.04 -0.96 117.38 111.92 1ub3 n GLN 174 Ca 0.03 0.51 0.00 0.00 -0.01 0.00 0.00 57.00 57.53 1ub3 n GLN 174 Cb 0.13 -5.34 0.00 0.00 1.02 0.00 0.00 30.24 26.06 1ub3 n GLN 174 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ub3 n GLY 175 N -1.58 1.74 0.23 1.08 0.00 -1.26 -4.85 105.19 100.55 1ub3 n GLY 175 Ca 0.05 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.22 1ub3 n GLY 175 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ub3 h ARG 176 N 2.19 0.00 -3.09 1.61 3.08 -1.43 -3.45 114.38 113.29 1ub3 h ARG 176 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1ub3 h ARG 176 Cb 0.00 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 29.89 1ub3 h ARG 176 CO 0.00 0.00 -0.08 0.00 -1.07 0.00 0.00 179.97 178.82 1ub3 s ALA 177 N -3.46 -1.03 0.53 0.04 0.00 -1.26 -4.86 121.76 111.72 1ub3 s ALA 177 Ca 0.04 0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.27 1ub3 s ALA 177 Cb 0.08 0.44 0.03 0.00 0.00 0.00 0.00 23.12 23.66 1ub3 s ALA 177 CO 0.57 -0.51 0.75 -0.65 0.00 0.00 0.00 175.76 175.92 1ub3 s GLN 178 N -2.80 2.63 -0.08 0.00 -0.21 0.02 -4.83 119.66 114.38 1ub3 s GLN 178 Ca -0.03 -0.78 0.04 0.00 0.02 0.00 0.00 55.36 54.61 1ub3 s GLN 178 Cb -0.00 -2.52 -0.01 0.00 1.00 0.00 0.00 33.01 31.48 1ub3 s GLN 178 CO -0.05 -0.63 -0.21 0.08 -2.12 0.00 0.00 175.29 172.37 1ub3 s VAL 179 N -2.71 2.39 -0.20 1.09 1.01 -1.26 -0.69 120.40 120.03 1ub3 s VAL 179 Ca 0.56 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 1ub3 s VAL 179 Cb -0.10 -1.91 0.01 0.00 0.00 0.00 0.00 36.38 34.38 1ub3 s VAL 179 CO 0.38 0.56 -0.13 -0.75 0.00 0.00 0.00 175.10 175.16 1ub3 s LYS 180 N -0.04 3.08 -0.11 2.72 2.20 0.06 -1.04 119.74 126.61 1ub3 s LYS 180 Ca -0.06 -0.79 -0.20 0.00 -0.36 0.00 0.00 55.97 54.57 1ub3 s LYS 180 Cb -0.15 -2.77 -0.04 0.00 -1.51 0.00 0.00 37.83 33.37 1ub3 s LYS 180 CO 0.05 -0.23 0.54 0.00 -0.36 0.00 0.00 175.35 175.34 1ub3 s ALA 181 N 1.35 3.44 0.03 3.13 0.00 -0.67 -1.80 121.76 127.25 1ub3 s ALA 181 Ca 0.04 -0.12 -0.08 0.00 0.00 0.00 0.00 51.96 51.80 1ub3 s ALA 181 Cb -0.14 -2.74 -0.00 0.00 0.00 0.00 0.00 23.12 20.24 1ub3 s ALA 181 CO -0.09 -0.06 0.16 0.00 0.00 0.00 0.00 175.76 175.77 1ub3 s ALA 182 N 0.75 -0.27 0.00 0.00 0.00 -1.26 -0.49 121.76 120.49 1ub3 s ALA 182 Ca 0.29 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.91 1ub3 s ALA 182 Cb -0.16 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.21 1ub3 s ALA 182 CO 0.12 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1ub3 n GLY 183 N 0.81 -0.45 2.25 0.00 0.00 -1.17 -1.55 105.19 105.08 1ub3 n GLY 183 Ca -0.19 -0.98 -0.00 0.00 0.00 0.00 0.00 46.02 44.85 1ub3 n GLY 183 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ub3 n GLY 184 N 1.94 0.41 3.50 -0.02 0.00 -1.26 -2.04 105.19 107.72 1ub3 n GLY 184 Ca 0.00 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1ub3 n GLY 184 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ub3 s ILE 185 N -1.78 4.15 -0.02 -0.61 1.01 -1.26 -4.78 121.20 117.90 1ub3 s ILE 185 Ca 0.00 0.07 0.05 0.00 0.00 0.00 0.00 60.65 60.77 1ub3 s ILE 185 Cb 0.00 -4.72 -0.08 0.00 0.01 0.00 0.00 42.46 37.67 1ub3 s ILE 185 CO 0.00 -1.49 0.09 0.54 0.00 0.00 0.00 174.94 174.08 1ub3 n ARG 186 N 8.17 1.12 -4.37 2.79 5.12 -1.26 -4.53 116.66 123.70 1ub3 n ARG 186 Ca 0.00 -0.03 -0.28 0.00 -1.93 0.00 0.00 57.85 55.60 1ub3 n ARG 186 Cb 0.47 -1.13 -0.12 0.00 -1.16 0.00 0.00 32.46 30.53 1ub3 n ARG 186 CO 0.00 0.00 0.00 0.16 -1.93 0.00 0.00 177.63 175.86 1ub3 s ASP 187 N -2.93 3.62 0.23 0.55 -4.77 -1.26 -4.79 116.67 107.33 1ub3 s ASP 187 Ca -0.02 -0.72 -0.07 0.00 -3.30 0.00 0.00 52.55 48.44 1ub3 s ASP 187 Cb 0.03 -0.38 0.24 0.00 -1.09 0.00 0.00 42.92 41.71 1ub3 s ASP 187 CO 0.22 0.15 1.90 -0.09 0.70 0.00 0.00 175.17 178.04 1ub3 h ARG 188 N 3.49 1.12 -0.97 2.11 2.43 -1.90 -1.90 114.38 118.75 1ub3 h ARG 188 Ca -0.49 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 58.64 1ub3 h ARG 188 Cb 1.19 -0.25 -0.05 0.00 -0.42 0.00 0.00 29.97 30.43 1ub3 h ARG 188 CO 0.46 0.74 0.64 1.49 -1.51 0.00 0.00 179.97 181.79 1ub3 h GLU 189 N 1.15 1.24 -0.20 0.20 4.81 -1.96 0.14 114.58 119.96 1ub3 h GLU 189 Ca 0.34 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.37 1ub3 h GLU 189 Cb -0.07 -0.28 -0.00 0.00 0.63 0.00 0.00 28.75 29.03 1ub3 h GLU 189 CO -0.09 0.82 -0.34 1.15 -0.73 0.00 0.00 179.01 179.82 1ub3 h THR 190 N 1.28 1.33 -0.40 0.32 2.02 -1.89 -1.92 112.91 113.65 1ub3 h THR 190 Ca 0.37 -1.57 0.04 0.00 0.77 0.00 0.00 66.41 66.02 1ub3 h THR 190 Cb -0.09 1.85 -0.04 0.00 -1.74 0.00 0.00 68.15 68.13 1ub3 h THR 190 CO -0.09 0.48 0.17 0.00 0.37 0.00 0.00 175.52 176.45 1ub3 h ALA 191 N 0.61 0.49 0.00 6.16 0.00 -0.97 -0.47 119.26 125.08 1ub3 h ALA 191 Ca 0.01 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1ub3 h ALA 191 Cb 0.94 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1ub3 h ALA 191 CO 0.08 -0.20 -0.43 -0.07 0.00 0.00 0.00 179.25 178.63 1ub3 h LEU 192 N 0.35 0.00 -0.46 0.00 3.38 -0.46 -2.37 115.31 115.75 1ub3 h LEU 192 Ca 0.18 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.98 1ub3 h LEU 192 Cb 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1ub3 h LEU 192 CO -0.15 0.43 -0.58 0.03 0.09 0.00 0.00 178.44 178.25 1ub3 h ARG 193 N 0.00 0.59 -0.54 1.13 3.08 -0.83 -1.82 114.38 115.99 1ub3 h ARG 193 Ca -0.00 -0.39 -0.02 0.00 0.07 0.00 0.00 59.98 59.64 1ub3 h ARG 193 Cb 0.86 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.93 1ub3 h ARG 193 CO 0.06 1.00 0.26 0.52 -1.07 0.00 0.00 179.97 180.74 1ub3 h MET 194 N 0.44 0.78 -0.51 0.04 2.86 -0.69 -0.39 114.93 117.47 1ub3 h MET 194 Ca 0.00 -0.12 -0.08 0.00 -2.06 0.00 0.00 59.70 57.45 1ub3 h MET 194 Cb 1.14 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.64 1ub3 h MET 194 CO 0.11 0.64 0.00 -0.07 1.06 0.00 0.00 176.91 178.66 1ub3 h LEU 195 N 0.73 0.82 -1.04 1.22 3.38 -1.33 -2.36 115.31 116.72 1ub3 h LEU 195 Ca 0.19 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1ub3 h LEU 195 Cb 0.12 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1ub3 h LEU 195 CO -0.02 0.88 -0.46 0.50 0.09 0.00 0.00 178.44 179.43 1ub3 h LYS 196 N 0.79 0.00 0.00 1.13 3.64 -0.82 -0.50 116.57 120.82 1ub3 h LYS 196 Ca 0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1ub3 h LYS 196 Cb 0.47 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1ub3 h LYS 196 CO 0.02 0.46 0.00 0.00 -2.27 0.00 0.00 179.45 177.67 1ub3 n ALA 197 N -2.43 1.92 0.00 5.00 0.00 -0.20 -4.85 120.51 119.95 1ub3 n ALA 197 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1ub3 n ALA 197 Cb 0.50 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1ub3 n ALA 197 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ub3 n GLY 198 N 0.55 1.06 3.77 0.00 0.00 -0.20 -4.14 105.19 106.23 1ub3 n GLY 198 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1ub3 n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ub3 s ALA 199 N -1.04 3.36 -0.47 4.61 0.00 -0.92 -4.59 121.76 122.70 1ub3 s ALA 199 Ca 0.00 1.05 0.14 0.00 0.00 0.00 0.00 51.96 53.15 1ub3 s ALA 199 Cb 0.00 -3.40 -0.17 0.00 0.00 0.00 0.00 23.12 19.55 1ub3 s ALA 199 CO 0.00 -0.45 0.51 -1.13 0.00 0.00 0.00 175.76 174.69 1ub3 n SER 200 N 0.70 0.96 -3.94 0.00 3.41 -0.20 -4.34 113.62 110.20 1ub3 n SER 200 Ca 0.01 -0.59 -0.10 0.00 -0.26 0.00 0.00 58.87 57.93 1ub3 n SER 200 Cb 0.44 1.19 -0.11 0.00 -0.26 0.00 0.00 64.21 65.47 1ub3 n SER 200 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1ub3 s ARG 201 N -2.52 0.28 -0.06 4.33 6.06 -1.18 -4.81 118.95 121.06 1ub3 s ARG 201 Ca 0.02 -0.46 0.05 0.00 -2.50 0.00 0.00 55.73 52.84 1ub3 s ARG 201 Cb 0.10 0.10 -0.00 0.00 0.06 0.00 0.00 34.95 35.21 1ub3 s ARG 201 CO 0.58 -0.05 -0.21 -0.51 -2.50 0.00 0.00 175.30 172.61 1ub3 s LEU 202 N -1.17 1.97 -0.29 -0.88 1.43 0.11 -1.67 118.68 118.18 1ub3 s LEU 202 Ca -0.13 -0.44 -0.09 0.00 -1.03 0.00 0.00 54.13 52.45 1ub3 s LEU 202 Cb -0.08 -1.18 -0.02 0.00 0.03 0.00 0.00 46.19 44.95 1ub3 s LEU 202 CO -0.00 0.17 0.12 -0.83 0.23 0.00 0.00 176.35 176.04 1ub3 s GLY 203 N 0.10 1.83 -0.05 -3.19 0.00 0.36 -0.42 107.32 105.95 1ub3 s GLY 203 Ca -0.08 -1.29 -0.22 0.00 0.00 0.00 0.00 44.72 43.13 1ub3 s GLY 203 CO 0.04 0.63 0.50 -1.08 0.00 0.00 0.00 173.10 173.19 1ub3 s THR 204 N 1.61 0.03 -1.79 0.90 -1.32 -1.18 -3.03 115.64 110.87 1ub3 s THR 204 Ca 0.05 -0.22 0.25 0.00 -1.21 0.00 0.00 61.69 60.56 1ub3 s THR 204 Cb -0.16 -0.80 0.15 0.00 -1.51 0.00 0.00 72.50 70.18 1ub3 s THR 204 CO 0.05 -0.12 1.38 -1.20 -2.21 0.00 0.00 174.62 172.52 1ub3 n SER 205 N 1.26 1.33 -2.07 8.08 7.64 -1.26 -1.26 113.62 127.35 1ub3 n SER 205 Ca -0.20 -1.07 -0.17 0.00 1.01 0.00 0.00 58.87 58.44 1ub3 n SER 205 Cb 0.56 0.29 0.21 0.00 -1.01 0.00 0.00 64.21 64.27 1ub3 n SER 205 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ub3 n SER 206 N -0.51 3.91 -0.21 6.43 7.64 -1.26 -4.72 113.62 124.90 1ub3 n SER 206 Ca 0.11 -3.53 0.01 0.00 1.01 0.00 0.00 58.87 56.47 1ub3 n SER 206 Cb 0.39 -0.80 0.12 0.00 -1.01 0.00 0.00 64.21 62.91 1ub3 n SER 206 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1ub3 h GLY 207 N 1.42 0.85 1.00 0.23 0.00 -1.91 -2.10 103.07 102.56 1ub3 h GLY 207 Ca 0.50 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.76 1ub3 h GLY 207 CO 0.95 -0.08 0.31 -2.08 0.00 0.00 0.00 176.54 175.63 1ub3 h VAL 208 N 0.33 1.12 -0.06 4.60 2.07 -1.96 -2.31 116.25 120.05 1ub3 h VAL 208 Ca 0.33 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.57 1ub3 h VAL 208 Cb 0.46 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1ub3 h VAL 208 CO -0.37 0.11 -0.25 0.00 0.02 0.00 0.00 177.57 177.09 1ub3 h ALA 209 N 1.17 1.47 0.00 1.67 0.00 -1.85 -2.92 119.26 118.80 1ub3 h ALA 209 Ca 0.17 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1ub3 h ALA 209 Cb -0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1ub3 h ALA 209 CO -0.04 0.38 -0.36 -0.07 0.00 0.00 0.00 179.25 179.16 1ub3 h LEU 210 N 0.10 0.00 -1.18 0.00 3.38 -0.85 -3.47 115.31 113.29 1ub3 h LEU 210 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1ub3 h LEU 210 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1ub3 h LEU 210 CO 0.04 0.36 0.00 1.33 0.09 0.00 0.00 178.44 180.26