#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hze s THR 3 N 0.00 4.10 -0.16 0.00 2.01 -1.26 -1.37 115.64 118.96 3hze s THR 3 Ca 0.00 -0.30 -0.02 0.00 0.31 0.00 0.00 61.69 61.68 3hze s THR 3 Cb 0.00 -2.78 -0.01 0.00 0.01 0.00 0.00 72.50 69.72 3hze s THR 3 CO 0.00 0.52 -0.09 -0.31 -0.69 0.00 0.00 174.62 174.05 3hze s TYR 4 N -0.03 2.89 0.08 4.92 2.02 0.15 -4.56 117.35 122.83 3hze s TYR 4 Ca 0.02 -0.70 0.03 0.00 -0.37 0.00 0.00 57.07 56.05 3hze s TYR 4 Cb -0.13 -1.94 -0.04 0.00 -0.40 0.00 0.00 41.96 39.45 3hze s TYR 4 CO 0.02 -0.30 0.11 0.71 -1.57 0.00 0.00 175.55 174.52 3hze s TYR 5 N 0.70 3.25 0.16 2.71 2.02 -0.01 -0.90 117.35 125.27 3hze s TYR 5 Ca -0.05 0.10 -0.19 0.00 -0.37 0.00 0.00 57.07 56.57 3hze s TYR 5 Cb -0.15 -1.64 0.04 0.00 -0.40 0.00 0.00 41.96 39.81 3hze s TYR 5 CO 0.02 0.53 0.50 1.52 -1.57 0.00 0.00 175.55 176.55 3hze s TYR 6 N -1.42 -0.29 0.12 2.71 -0.85 -0.13 -0.74 117.35 116.75 3hze s TYR 6 Ca 0.30 -0.00 0.10 0.00 -0.52 0.00 0.00 57.07 56.95 3hze s TYR 6 Cb -0.12 0.39 -0.04 0.00 0.38 0.00 0.00 41.96 42.57 3hze s TYR 6 CO 0.23 -0.81 -0.26 0.96 -1.52 0.00 0.00 175.55 174.15 3hze s ILE 7 N -3.81 2.15 -0.02 -3.49 -4.36 -0.80 -1.25 121.20 109.63 3hze s ILE 7 Ca 0.04 -1.69 0.03 0.00 -0.26 0.00 0.00 60.65 58.76 3hze s ILE 7 Cb 0.00 -1.91 -0.00 0.00 1.25 0.00 0.00 42.46 41.80 3hze s ILE 7 CO -0.10 0.08 -0.10 -0.22 0.24 0.00 0.00 174.94 174.85 3hze s LEU 8 N -1.97 1.93 0.22 0.37 2.96 0.21 -2.04 118.68 120.35 3hze s LEU 8 Ca 0.12 -0.19 -0.22 0.00 -0.22 0.00 0.00 54.13 53.62 3hze s LEU 8 Cb -0.10 -0.54 0.04 0.00 0.50 0.00 0.00 46.19 46.09 3hze s LEU 8 CO 0.05 0.10 0.76 0.00 -1.32 0.00 0.00 176.35 175.94 3hze s ALA 9 N -0.07 -1.39 0.59 5.97 0.00 -0.81 -0.65 121.76 125.40 3hze s ALA 9 Ca 0.01 -0.04 -0.19 0.00 0.00 0.00 0.00 51.96 51.74 3hze s ALA 9 Cb -0.06 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 3hze s ALA 9 CO -0.00 -0.98 1.18 -1.54 0.00 0.00 0.00 175.76 174.42 3hze s SER 10 N -2.88 5.28 0.35 0.00 1.04 -1.26 -0.50 113.70 115.73 3hze s SER 10 Ca 0.09 2.32 0.02 0.00 0.48 0.00 0.00 55.95 58.86 3hze s SER 10 Cb -0.04 -2.59 0.62 0.00 0.10 0.00 0.00 66.02 64.11 3hze s SER 10 CO 0.02 -1.53 2.01 0.11 0.98 0.00 0.00 173.24 174.83 3hze h LYS 11 N 0.88 0.85 -0.03 4.02 1.79 -1.22 -2.70 116.57 120.16 3hze h LYS 11 Ca -0.50 -0.05 0.03 0.00 -2.18 0.00 0.00 60.65 57.94 3hze h LYS 11 Cb 1.29 -0.19 -0.03 0.00 -1.58 0.00 0.00 32.23 31.71 3hze h LYS 11 CO 0.55 0.56 -0.14 -0.22 -1.08 0.00 0.00 179.45 179.12 3hze h LYS 12 N 0.87 -0.22 -0.52 3.15 3.64 -1.90 -1.09 116.57 120.50 3hze h LYS 12 Ca 0.24 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3hze h LYS 12 Cb -0.10 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 3hze h LYS 12 CO -0.05 -0.15 0.32 0.35 -2.27 0.00 0.00 179.45 177.65 3hze h PHE 13 N -0.23 0.68 0.00 1.91 3.04 -1.86 -1.07 116.94 119.41 3hze h PHE 13 Ca 0.06 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.98 3hze h PHE 13 Cb 0.31 -0.22 -0.00 0.00 2.56 0.00 0.00 35.95 38.59 3hze h PHE 13 CO -0.21 0.47 -0.12 -0.07 -2.02 0.00 0.00 178.31 176.35 3hze h LEU 14 N 0.70 0.00 0.02 0.59 3.38 -1.28 -1.74 115.31 116.98 3hze h LEU 14 Ca 0.19 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.82 3hze h LEU 14 Cb -0.02 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 3hze h LEU 14 CO -0.04 0.12 -2.05 0.35 0.09 0.00 0.00 178.44 176.92 3hze n THR 15 N -3.32 1.56 -0.05 0.22 -2.24 -0.43 -4.20 114.28 105.82 3hze n THR 15 Ca -0.00 -0.77 0.01 0.00 -2.27 0.00 0.00 64.05 61.03 3hze n THR 15 Cb 0.34 -1.03 -0.16 0.00 -2.10 0.00 0.00 70.33 67.38 3hze n THR 15 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hze n GLU 16 N -3.06 0.73 0.00 -0.78 1.02 -0.43 -4.61 120.64 113.51 3hze n GLU 16 Ca -0.27 -0.11 0.08 0.00 -0.02 0.00 0.00 57.16 56.84 3hze n GLU 16 Cb 1.08 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.97 3hze n GLU 16 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3hze n GLU 17 N -2.45 1.73 -3.97 3.49 -0.58 -0.66 -5.00 120.64 113.21 3hze n GLU 17 Ca -0.17 -0.57 -0.12 0.00 -0.42 0.00 0.00 57.16 55.89 3hze n GLU 17 Cb 0.81 -1.27 -0.13 0.00 -0.57 0.00 0.00 31.44 30.29 3hze n GLU 17 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3hze s GLU 18 N -2.08 0.20 -1.06 3.49 0.41 -1.24 -5.02 118.70 113.40 3hze s GLU 18 Ca 0.11 -0.26 -0.09 0.00 -0.41 0.00 0.00 54.97 54.33 3hze s GLU 18 Cb 0.13 -0.08 -0.15 0.00 -1.78 0.00 0.00 34.13 32.25 3hze s GLU 18 CO 0.48 0.01 3.19 -0.35 -0.49 0.00 0.00 175.26 178.11 3hze n PRO 19 N 2.54 3.12 -0.31 0.39 -0.04 -1.26 -4.60 135.00 134.83 3hze n PRO 19 Ca -0.16 -1.79 0.05 0.00 -0.04 0.00 0.00 63.50 61.55 3hze n PRO 19 Cb 0.58 -2.52 0.20 0.00 -0.04 0.00 0.00 33.50 31.72 3hze n PRO 19 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3hze h LEU 20 N 6.28 0.72 -0.45 1.53 7.12 -1.93 -1.86 115.31 126.72 3hze h LEU 20 Ca 0.64 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.70 3hze h LEU 20 Cb 0.71 -0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 40.74 3hze h LEU 20 CO 1.24 0.38 0.28 -0.08 -0.13 0.00 0.00 178.44 180.14 3hze h GLU 21 N 0.81 0.60 -0.67 1.25 4.81 -1.90 -1.95 114.58 117.53 3hze h GLU 21 Ca 0.44 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.57 3hze h GLU 21 Cb 0.46 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 3hze h GLU 21 CO -0.27 0.42 0.19 1.49 -0.73 0.00 0.00 179.01 180.11 3hze h GLU 22 N 0.60 1.03 -0.15 1.92 4.57 -1.78 -0.03 114.58 120.74 3hze h GLU 22 Ca 0.16 -0.22 0.02 0.00 -1.18 0.00 0.00 59.36 58.14 3hze h GLU 22 Cb -0.03 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.39 3hze h GLU 22 CO -0.03 0.89 0.03 0.28 -1.18 0.00 0.00 179.01 179.00 3hze h VAL 23 N 0.99 0.94 -0.15 0.32 2.07 -0.89 -0.88 116.25 118.65 3hze h VAL 23 Ca 0.22 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.68 3hze h VAL 23 Cb 0.30 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3hze h VAL 23 CO -0.01 0.02 -0.02 -0.26 0.02 0.00 0.00 177.57 177.32 3hze h PHE 24 N 0.09 0.30 -0.59 1.57 -1.00 -1.05 -2.41 116.94 113.86 3hze h PHE 24 Ca 0.07 -0.06 -0.05 0.00 2.81 0.00 0.00 57.97 60.74 3hze h PHE 24 Cb 0.06 -0.08 -0.03 0.00 3.61 0.00 0.00 35.95 39.52 3hze h PHE 24 CO -0.13 0.53 0.19 0.00 -1.61 0.00 0.00 178.31 177.29 3hze h ARG 25 N -0.01 0.92 -0.54 1.51 3.08 -0.93 0.38 114.38 118.79 3hze h ARG 25 Ca 0.04 -0.20 -0.10 0.00 0.07 0.00 0.00 59.98 59.79 3hze h ARG 25 Cb 0.42 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 3hze h ARG 25 CO 0.01 0.82 -0.05 1.49 -1.07 0.00 0.00 179.97 181.18 3hze h GLU 26 N 0.84 0.99 -0.52 0.04 4.22 -1.21 -1.45 114.58 117.48 3hze h GLU 26 Ca 0.19 -0.34 -0.08 0.00 0.08 0.00 0.00 59.36 59.21 3hze h GLU 26 Cb 0.28 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3hze h GLU 26 CO -0.01 1.01 0.01 -0.09 -2.18 0.00 0.00 179.01 177.76 3hze h ARG 27 N 0.86 0.91 -0.67 1.92 2.43 -1.21 0.16 114.38 118.79 3hze h ARG 27 Ca 0.15 -0.28 -0.05 0.00 -0.81 0.00 0.00 59.98 58.98 3hze h ARG 27 Cb 0.60 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 3hze h ARG 27 CO 0.04 0.93 0.21 1.96 -1.51 0.00 0.00 179.97 181.60 3hze h GLN 28 N 0.78 1.03 -0.28 0.20 4.20 -0.81 0.59 115.11 120.82 3hze h GLN 28 Ca 0.15 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 3hze h GLN 28 Cb 0.51 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 3hze h GLN 28 CO 0.02 0.90 0.06 0.00 -0.67 0.00 0.00 178.83 179.15 3hze h ARG 29 N 0.97 0.45 -0.72 1.46 3.08 -0.94 -1.71 114.38 116.98 3hze h ARG 29 Ca 0.22 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 3hze h ARG 29 Cb 0.29 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 3hze h ARG 29 CO -0.01 0.54 0.36 1.25 -1.07 0.00 0.00 179.97 181.04 3hze h HIS 30 N 0.29 1.02 -0.84 3.04 2.76 -0.49 0.83 115.15 121.76 3hze h HIS 30 Ca 0.09 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 3hze h HIS 30 Cb 0.29 -0.32 -0.04 0.00 1.55 0.00 0.00 27.41 28.90 3hze h HIS 30 CO 0.01 0.75 0.52 1.88 -1.30 0.00 0.00 177.93 179.80 3hze h TYR 31 N 1.00 1.08 0.00 5.26 -1.99 -0.74 -0.53 116.97 121.06 3hze h TYR 31 Ca 0.25 0.01 -0.05 0.00 2.00 0.00 0.00 58.73 60.93 3hze h TYR 31 Cb 0.10 -0.36 -0.01 0.00 2.00 0.00 0.00 36.73 38.46 3hze h TYR 31 CO 0.00 0.71 -0.26 0.00 -0.00 0.00 0.00 178.16 178.61 3hze h ARG 32 N 1.14 0.00 0.00 4.88 3.08 -0.81 0.12 114.38 122.80 3hze h ARG 32 Ca 0.30 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.28 3hze h ARG 32 Cb -0.08 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 3hze h ARG 32 CO -0.06 0.26 -0.37 1.49 -1.07 0.00 0.00 179.97 180.22 3hze h GLU 33 N 0.00 0.00 0.00 0.04 4.57 0.72 -2.92 114.58 116.99 3hze h GLU 33 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3hze h GLU 33 Cb 0.75 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 3hze h GLU 33 CO 0.03 0.37 -0.98 1.04 -1.18 0.00 0.00 179.01 178.29 3hze n GLN 34 N -3.71 0.73 -1.57 1.92 6.02 -0.67 -4.98 117.38 115.11 3hze n GLN 34 Ca -0.01 -0.02 -0.02 0.00 -0.01 0.00 0.00 57.00 56.94 3hze n GLN 34 Cb 0.46 -1.40 -0.01 0.00 1.02 0.00 0.00 30.24 30.32 3hze n GLN 34 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hze n GLY 35 N 1.44 0.41 3.86 1.08 0.00 0.12 -5.04 105.19 107.07 3hze n GLY 35 Ca 0.03 -0.89 -0.37 0.00 0.00 0.00 0.00 46.02 44.79 3hze n GLY 35 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hze s LYS 36 N -3.18 3.62 0.32 1.61 2.20 0.20 -5.00 119.74 119.51 3hze s LYS 36 Ca 0.00 0.06 -0.29 0.00 -0.36 0.00 0.00 55.97 55.38 3hze s LYS 36 Cb 0.00 -3.21 -0.10 0.00 -1.51 0.00 0.00 37.83 33.01 3hze s LYS 36 CO 0.00 0.74 1.27 -2.00 -0.36 0.00 0.00 175.35 175.00 3hze s GLU 37 N -1.00 4.41 0.10 4.03 2.12 -1.26 -4.40 118.70 122.70 3hze s GLU 37 Ca 0.18 2.14 -0.31 0.00 0.36 0.00 0.00 54.97 57.34 3hze s GLU 37 Cb -0.14 -3.09 -0.08 0.00 0.26 0.00 0.00 34.13 31.08 3hze s GLU 37 CO 0.07 -0.12 1.50 0.42 -0.54 0.00 0.00 175.26 176.60 3hze s ILE 38 N -1.11 3.10 -0.11 -3.70 1.01 -1.26 -4.90 121.20 114.22 3hze s ILE 38 Ca 0.48 0.71 0.15 0.00 0.00 0.00 0.00 60.65 62.00 3hze s ILE 38 Cb -0.38 -3.46 0.33 0.00 0.01 0.00 0.00 42.46 38.96 3hze s ILE 38 CO 0.50 0.03 1.16 -0.90 0.00 0.00 0.00 174.94 175.74 3hze n ASP 39 N 4.53 1.46 -3.90 3.58 5.75 -1.26 -5.02 116.55 121.69 3hze n ASP 39 Ca 0.13 -3.00 -0.14 0.00 -0.01 0.00 0.00 54.79 51.77 3hze n ASP 39 Cb 0.41 -0.41 -0.14 0.00 -1.03 0.00 0.00 41.12 39.95 3hze n ASP 39 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 3hze s PHE 40 N -1.95 0.24 0.01 2.11 -0.71 -1.26 -2.27 117.98 114.14 3hze s PHE 40 Ca 0.30 -0.04 -0.06 0.00 -1.04 0.00 0.00 56.93 56.10 3hze s PHE 40 Cb 0.30 -0.18 -0.00 0.00 -1.21 0.00 0.00 43.02 41.93 3hze s PHE 40 CO -0.06 -0.02 0.10 -1.58 -1.34 0.00 0.00 175.22 172.33 3hze s TRP 41 N 0.05 0.09 -0.11 3.49 0.51 0.12 -4.99 118.94 118.11 3hze s TRP 41 Ca -0.00 -0.23 -0.18 0.00 -2.12 0.00 0.00 56.10 53.57 3hze s TRP 41 Cb -0.02 -0.08 -0.04 0.00 -0.81 0.00 0.00 33.47 32.51 3hze s TRP 41 CO -0.00 -0.27 0.48 -1.17 -0.51 0.00 0.00 176.95 175.47 3hze s LEU 42 N -1.44 4.29 -0.40 2.99 2.96 -1.26 -0.84 118.68 124.98 3hze s LEU 42 Ca -0.15 0.84 0.01 0.00 -0.22 0.00 0.00 54.13 54.62 3hze s LEU 42 Cb -0.08 -2.70 0.13 0.00 0.50 0.00 0.00 46.19 44.04 3hze s LEU 42 CO 0.01 0.02 0.22 -0.69 -1.32 0.00 0.00 176.35 174.59 3hze s VAL 43 N 0.49 0.91 0.49 1.68 1.01 0.10 -4.97 120.40 120.11 3hze s VAL 43 Ca 0.26 -2.15 -0.21 0.00 0.00 0.00 0.00 61.98 59.88 3hze s VAL 43 Cb -0.15 -1.65 -0.07 0.00 0.00 0.00 0.00 36.38 34.50 3hze s VAL 43 CO 0.11 -0.91 1.12 -2.16 0.00 0.00 0.00 175.10 173.26 3hze s PRO 44 N 0.72 3.66 -1.24 2.72 0.04 -1.26 -1.36 135.00 138.29 3hze s PRO 44 Ca 0.17 1.62 -0.24 0.00 0.04 0.00 0.00 61.00 62.59 3hze s PRO 44 Cb -0.23 -2.23 0.02 0.00 0.04 0.00 0.00 34.50 32.10 3hze s PRO 44 CO -0.02 -0.60 0.63 0.39 0.04 0.00 0.00 177.00 177.45 3hze n GLU 45 N -0.81 -0.90 -1.70 4.56 1.02 -0.11 -4.03 120.64 118.66 3hze n GLU 45 Ca 0.09 0.23 -0.44 0.00 -0.02 0.00 0.00 57.16 57.02 3hze n GLU 45 Cb 0.50 -3.32 -0.03 0.00 -0.02 0.00 0.00 31.44 28.57 3hze n GLU 45 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3hze n PRO 46 N -4.68 2.37 0.07 3.49 -0.04 -1.23 -0.72 135.00 134.26 3hze n PRO 46 Ca -0.14 0.85 -0.02 0.00 -0.04 0.00 0.00 63.50 64.15 3hze n PRO 46 Cb 0.60 -2.59 0.24 0.00 -0.04 0.00 0.00 33.50 31.70 3hze n PRO 46 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hze h ALA 47 N 5.13 1.16 -0.44 0.55 0.00 -1.50 -3.10 119.26 121.06 3hze h ALA 47 Ca -0.45 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.13 3hze h ALA 47 Cb 1.24 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3hze h ALA 47 CO 0.83 0.55 0.29 0.27 0.00 0.00 0.00 179.25 181.18 3hze h PHE 48 N 0.27 0.44 0.00 0.00 -5.15 -1.87 -1.37 116.94 109.26 3hze h PHE 48 Ca 0.04 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.82 3hze h PHE 48 Cb 0.71 -0.15 0.00 0.00 0.22 0.00 0.00 35.95 36.73 3hze h PHE 48 CO 0.02 0.25 0.02 1.25 -2.00 0.00 0.00 178.31 177.85 3hze h LEU 49 N 0.45 0.00 0.00 2.10 5.85 -1.92 -1.43 115.31 120.36 3hze h LEU 49 Ca 0.18 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3hze h LEU 49 Cb 0.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3hze h LEU 49 CO -0.04 0.00 -0.24 -0.33 -0.34 0.00 0.00 178.44 177.49 3hze h GLU 50 N 0.00 0.00 -7.01 1.25 4.39 -1.43 -3.43 114.58 108.35 3hze h GLU 50 Ca 0.00 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 59.20 3hze h GLU 50 Cb 0.05 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 28.75 3hze h GLU 50 CO 0.00 0.00 0.45 -0.65 -1.16 0.00 0.00 179.01 177.65 3hze s GLN 51 N -3.17 3.82 0.26 2.33 -0.21 -0.54 -4.94 119.66 117.21 3hze s GLN 51 Ca 0.08 1.66 -0.06 0.00 0.02 0.00 0.00 55.36 57.05 3hze s GLN 51 Cb 0.10 -2.37 0.48 0.00 1.00 0.00 0.00 33.01 32.21 3hze s GLN 51 CO 0.66 -0.47 1.62 -1.35 -2.12 0.00 0.00 175.29 173.63 3hze h PRO 52 N 2.04 0.07 -0.07 2.91 0.11 -1.90 -1.36 132.00 133.80 3hze h PRO 52 Ca -0.49 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.63 3hze h PRO 52 Cb 1.24 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3hze h PRO 52 CO 0.60 0.04 0.13 -0.56 -0.21 0.00 0.00 178.00 178.01 3hze h GLN 53 N 0.07 0.00 -0.61 1.05 -0.00 -1.93 -1.40 115.11 112.28 3hze h GLN 53 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.09 3hze h GLN 53 Cb 0.79 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.27 3hze h GLN 53 CO -0.75 0.00 0.00 1.19 -0.00 0.00 0.00 178.83 179.27 3hze n PHE 54 N -3.42 1.48 -0.25 0.06 3.72 -0.51 -4.65 117.46 113.88 3hze n PHE 54 Ca -0.01 -0.63 0.05 0.00 -0.05 0.00 0.00 57.45 56.81 3hze n PHE 54 Cb 0.22 -0.27 0.17 0.00 -0.94 0.00 0.00 39.48 38.66 3hze n PHE 54 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hze h ALA 55 N 3.89 0.86 0.07 4.37 0.00 -1.32 -1.29 119.26 125.85 3hze h ALA 55 Ca 0.00 0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3hze h ALA 55 Cb 1.48 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 3hze h ALA 55 CO 0.25 -0.40 -0.10 1.49 0.00 0.00 0.00 179.25 180.49 3hze h GLU 56 N 0.16 -0.20 -0.12 0.00 4.22 -1.85 -1.10 114.58 115.69 3hze h GLU 56 Ca 0.41 0.01 -0.09 0.00 0.08 0.00 0.00 59.36 59.78 3hze h GLU 56 Cb 0.73 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 3hze h GLU 56 CO -0.60 -0.14 -0.34 1.96 -2.18 0.00 0.00 179.01 177.72 3hze h GLN 57 N -0.21 0.24 -0.59 1.92 4.20 -1.82 -1.43 115.11 117.43 3hze h GLN 57 Ca 0.01 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 3hze h GLN 57 Cb 0.22 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 3hze h GLN 57 CO -0.05 0.56 0.27 -0.22 -0.67 0.00 0.00 178.83 178.72 3hze h LYS 58 N 0.21 0.85 0.00 1.46 1.63 -0.90 0.79 116.57 120.61 3hze h LYS 58 Ca 0.03 -0.13 -0.08 0.00 -0.85 0.00 0.00 60.65 59.61 3hze h LYS 58 Cb 0.71 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.17 3hze h LYS 58 CO 0.05 0.70 -0.40 0.00 -3.45 0.00 0.00 179.45 176.36 3hze h ALA 59 N 1.11 1.09 0.13 5.00 0.00 -0.88 -3.29 119.26 122.42 3hze h ALA 59 Ca 0.20 -0.36 -0.25 0.00 0.00 0.00 0.00 54.91 54.50 3hze h ALA 59 Cb 0.14 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.87 3hze h ALA 59 CO -0.02 0.50 -1.20 -0.09 0.00 0.00 0.00 179.25 178.43 3hze h ARG 60 N 0.00 0.28 -6.26 0.00 9.65 -0.68 -3.46 114.38 113.91 3hze h ARG 60 Ca -0.00 -0.48 -0.56 0.00 -1.10 0.00 0.00 59.98 57.84 3hze h ARG 60 Cb 0.84 0.18 -0.03 0.00 -1.39 0.00 0.00 29.97 29.57 3hze h ARG 60 CO 0.05 1.23 0.80 0.00 2.80 0.00 0.00 179.97 184.85 3hze s PRO 62 N 2.72 3.23 0.14 0.00 0.02 -1.26 -4.91 135.00 134.94 3hze s PRO 62 Ca 0.57 2.17 0.06 0.00 0.02 0.00 0.00 61.00 63.82 3hze s PRO 62 Cb -0.25 -2.28 -0.04 0.00 0.02 0.00 0.00 34.50 31.95 3hze s PRO 62 CO 0.20 -1.10 0.01 -0.65 -0.33 0.00 0.00 177.00 175.14 3hze s GLN 63 N -2.87 2.52 0.48 5.54 -0.21 -1.26 -3.78 119.66 120.08 3hze s GLN 63 Ca 0.70 -0.96 -0.22 0.00 0.02 0.00 0.00 55.36 54.90 3hze s GLN 63 Cb -0.39 -2.47 -0.07 0.00 1.00 0.00 0.00 33.01 31.08 3hze s GLN 63 CO 0.46 0.50 1.16 -1.25 -2.12 0.00 0.00 175.29 174.03 3hze s PRO 64 N -2.67 3.67 0.42 2.91 0.04 -1.26 -4.98 135.00 133.13 3hze s PRO 64 Ca 0.27 1.74 0.07 0.00 0.04 0.00 0.00 61.00 63.12 3hze s PRO 64 Cb -0.10 -2.32 -0.03 0.00 0.04 0.00 0.00 34.50 32.09 3hze s PRO 64 CO 0.19 -0.62 0.33 0.00 0.04 0.00 0.00 177.00 176.94 3hze s ALA 65 N -1.60 3.95 -0.01 8.56 0.00 -1.25 -0.82 121.76 130.60 3hze s ALA 65 Ca 0.66 -1.92 -0.16 0.00 0.00 0.00 0.00 51.96 50.54 3hze s ALA 65 Cb -0.27 -0.82 0.03 0.00 0.00 0.00 0.00 23.12 22.05 3hze s ALA 65 CO 0.33 -0.23 0.33 0.00 0.00 0.00 0.00 175.76 176.20 3hze s ALA 66 N -2.53 -0.84 0.14 0.00 0.00 0.35 -0.94 121.76 117.94 3hze s ALA 66 Ca 0.45 0.35 0.08 0.00 0.00 0.00 0.00 51.96 52.84 3hze s ALA 66 Cb -0.01 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 3hze s ALA 66 CO 0.26 -0.28 -0.18 0.00 0.00 0.00 0.00 175.76 175.56 3hze s ALA 67 N -1.45 1.80 -0.22 0.00 0.00 -0.46 -1.93 121.76 119.50 3hze s ALA 67 Ca -0.13 -1.37 -0.01 0.00 0.00 0.00 0.00 51.96 50.46 3hze s ALA 67 Cb -0.04 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 22.93 3hze s ALA 67 CO 0.04 0.23 -0.11 0.42 0.00 0.00 0.00 175.76 176.33 3hze s ILE 68 N -1.85 2.62 0.02 0.00 1.01 -0.87 0.02 121.20 122.15 3hze s ILE 68 Ca 0.11 -0.92 0.07 0.00 0.00 0.00 0.00 60.65 59.91 3hze s ILE 68 Cb -0.07 -2.23 -0.03 0.00 0.01 0.00 0.00 42.46 40.14 3hze s ILE 68 CO 0.05 0.37 -0.19 -0.63 0.00 0.00 0.00 174.94 174.54 3hze s ILE 69 N 1.33 2.72 -0.06 2.92 1.01 -0.02 -1.91 121.20 127.19 3hze s ILE 69 Ca 0.03 -1.13 -0.25 0.00 0.00 0.00 0.00 60.65 59.30 3hze s ILE 69 Cb -0.15 -2.11 0.05 0.00 0.01 0.00 0.00 42.46 40.26 3hze s ILE 69 CO -0.08 0.39 0.56 -0.55 0.00 0.00 0.00 174.94 175.27 3hze s SER 70 N -1.26 -0.51 0.00 3.58 0.15 0.08 0.16 113.70 115.90 3hze s SER 70 Ca 0.14 0.60 0.28 0.00 0.70 0.00 0.00 55.95 57.66 3hze s SER 70 Cb -0.10 0.57 1.08 0.00 -1.71 0.00 0.00 66.02 65.85 3hze s SER 70 CO 0.04 -0.50 1.77 0.35 1.20 0.00 0.00 173.24 176.09 3hze n THR 71 N 1.29 0.00 -3.32 6.45 -2.24 -0.96 -0.83 114.28 114.67 3hze n THR 71 Ca -0.19 -0.09 -0.46 0.00 -2.27 0.00 0.00 64.05 61.04 3hze n THR 71 Cb 0.57 0.10 -0.05 0.00 -2.10 0.00 0.00 70.33 68.84 3hze n THR 71 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3hze s ASN 72 N -2.44 6.23 0.33 3.42 2.47 -1.26 -4.86 114.94 118.83 3hze s ASN 72 Ca 0.28 -1.87 0.03 0.00 0.42 0.00 0.00 52.86 51.73 3hze s ASN 72 Cb 0.20 -2.21 0.62 0.00 -1.45 0.00 0.00 41.25 38.41 3hze s ASN 72 CO 0.48 -0.83 1.93 -0.61 -3.72 0.00 0.00 177.10 174.35 3hze h GLN 73 N 8.79 0.89 -0.91 0.43 4.15 -1.96 -2.80 115.11 123.71 3hze h GLN 73 Ca -0.27 -0.05 0.03 0.00 0.77 0.00 0.00 58.65 59.13 3hze h GLN 73 Cb 1.09 -0.20 -0.05 0.00 0.21 0.00 0.00 27.48 28.53 3hze h GLN 73 CO 1.01 0.59 0.60 -0.56 -1.93 0.00 0.00 178.83 178.54 3hze h GLN 74 N 0.92 1.13 -0.60 1.69 -0.00 -1.98 0.90 115.11 117.16 3hze h GLN 74 Ca 0.35 -0.07 -0.02 0.00 -0.00 0.00 0.00 58.65 58.91 3hze h GLN 74 Cb 0.21 -0.25 -0.03 0.00 -0.00 0.00 0.00 27.48 27.40 3hze h GLN 74 CO -0.12 0.75 0.29 0.35 -0.00 0.00 0.00 178.83 180.09 3hze h PHE 75 N 1.16 0.87 -0.39 0.06 3.57 -1.93 -0.61 116.94 119.67 3hze h PHE 75 Ca 0.35 -0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.71 3hze h PHE 75 Cb -0.03 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.43 3hze h PHE 75 CO -0.00 0.66 -0.15 0.82 -2.23 0.00 0.00 178.31 177.41 3hze h ILE 76 N 0.83 1.28 -0.09 1.41 1.08 -1.40 -1.88 117.51 118.74 3hze h ILE 76 Ca 0.21 -1.27 -0.03 0.00 -0.39 0.00 0.00 64.86 63.38 3hze h ILE 76 Cb 0.12 1.29 -0.01 0.00 -3.07 0.00 0.00 36.82 35.15 3hze h ILE 76 CO -0.03 0.42 -0.08 1.56 -0.69 0.00 0.00 178.15 179.34 3hze h GLN 77 N 0.59 0.12 -0.14 2.37 4.20 -0.62 -1.06 115.11 120.57 3hze h GLN 77 Ca 0.09 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 3hze h GLN 77 Cb 0.69 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.45 3hze h GLN 77 CO 0.05 0.21 -0.10 2.35 -0.67 0.00 0.00 178.83 180.67 3hze h TRP 78 N 0.12 0.37 -0.91 2.96 7.01 -0.77 -1.90 115.95 122.84 3hze h TRP 78 Ca 0.03 -0.10 0.02 0.00 2.11 0.00 0.00 58.89 60.94 3hze h TRP 78 Cb 0.22 -0.08 -0.05 0.00 -2.10 0.00 0.00 29.16 27.15 3hze h TRP 78 CO 0.00 0.68 0.60 -0.07 -2.79 0.00 0.00 178.44 176.85 3hze h LEU 79 N -0.04 1.02 0.12 0.65 3.38 -0.91 -1.00 115.31 118.52 3hze h LEU 79 Ca 0.03 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3hze h LEU 79 Cb 0.60 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3hze h LEU 79 CO 0.03 0.73 -0.06 0.50 0.09 0.00 0.00 178.44 179.73 3hze h LYS 80 N 1.20 -0.15 -0.67 1.13 1.63 -1.09 0.12 116.57 118.75 3hze h LYS 80 Ca 0.34 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 60.12 3hze h LYS 80 Cb -0.10 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.54 3hze h LYS 80 CO -0.09 -0.04 0.30 -0.07 -3.45 0.00 0.00 179.45 176.10 3hze h LEU 81 N -0.22 0.89 0.21 5.20 3.38 -1.08 0.10 115.31 123.79 3hze h LEU 81 Ca -0.02 -0.15 -0.32 0.00 0.09 0.00 0.00 57.88 57.49 3hze h LEU 81 Cb 0.17 -0.23 0.03 0.00 0.09 0.00 0.00 40.66 40.72 3hze h LEU 81 CO 0.03 0.79 -1.42 0.03 0.09 0.00 0.00 178.44 177.95 3hze h ARG 82 N 0.93 0.45 0.08 1.13 2.47 -1.15 -3.34 114.38 114.94 3hze h ARG 82 Ca 0.23 -0.76 -0.27 0.00 -1.26 0.00 0.00 59.98 57.91 3hze h ARG 82 Cb 0.15 0.28 -0.01 0.00 -1.65 0.00 0.00 29.97 28.74 3hze h ARG 82 CO -0.03 1.36 -1.31 -0.07 0.56 0.00 0.00 179.97 180.49 3hze h LEU 83 N 0.12 0.27 0.00 3.04 4.07 -0.79 -3.47 115.31 118.55 3hze h LEU 83 Ca -0.22 -0.33 0.00 0.00 0.08 0.00 0.00 57.88 57.41 3hze h LEU 83 Cb 2.11 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 43.76 3hze h LEU 83 CO 0.25 1.27 0.00 -0.62 -1.08 0.00 0.00 178.44 178.25 3hze n GLU 84 N -3.42 0.00 -1.06 1.13 1.02 0.35 -4.61 120.64 114.05 3hze n GLU 84 Ca -0.09 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 56.91 3hze n GLU 84 Cb 1.01 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 32.28 3hze n GLU 84 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3hze n TYR 85 N 0.00 0.21 -4.14 -0.32 4.01 -1.26 -4.82 117.16 110.84 3hze n TYR 85 Ca 0.00 -1.58 -0.09 0.00 -0.16 0.00 0.00 57.90 56.07 3hze n TYR 85 Cb 0.00 -1.60 -0.10 0.00 -0.31 0.00 0.00 39.34 37.33 3hze n TYR 85 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3hze s VAL 86 N 0.71 0.28 0.00 -0.72 -7.23 -1.26 -4.94 120.40 107.23 3hze s VAL 86 Ca 0.66 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.95 3hze s VAL 86 Cb 0.32 -1.79 0.00 0.00 0.56 0.00 0.00 36.38 35.48 3hze s VAL 86 CO -0.02 -0.74 0.00 0.18 -0.31 0.00 0.00 175.10 174.21 3hze n LEU 87 N -0.02 0.00 0.00 1.32 7.99 0.18 -4.89 117.00 121.59 3hze n LEU 87 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.90 3hze n LEU 87 Cb 0.62 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.93 3hze n LEU 87 CO 0.30 -0.42 0.00 0.61 -1.51 0.00 0.00 177.39 176.37 3hze n GLY 89 N 5.00 -0.52 3.55 -0.72 0.00 -0.38 0.64 105.19 112.76 3hze n GLY 89 Ca 0.00 -1.53 -0.10 0.00 0.00 0.00 0.00 46.02 44.40 3hze n GLY 89 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hze s GLN 90 N -1.94 1.42 0.21 1.61 -2.07 -1.26 -0.95 119.66 116.68 3hze s GLN 90 Ca 0.00 -0.81 -0.23 0.00 -1.82 0.00 0.00 55.36 52.50 3hze s GLN 90 Cb 0.00 0.55 0.05 0.00 -1.09 0.00 0.00 33.01 32.51 3hze s GLN 90 CO 0.00 -0.61 0.75 -0.59 -1.32 0.00 0.00 175.29 173.52 3hze s PHE 91 N -3.86 -0.27 0.30 9.60 -0.12 -0.08 -4.98 117.98 118.56 3hze s PHE 91 Ca 0.08 -0.08 0.09 0.00 -0.05 0.00 0.00 56.93 56.97 3hze s PHE 91 Cb -0.02 0.65 -0.04 0.00 -0.63 0.00 0.00 43.02 42.98 3hze s PHE 91 CO -0.03 -1.02 0.05 0.95 -0.05 0.00 0.00 175.22 175.12 3hze s THR 92 N -3.70 3.27 0.53 -4.49 -4.23 -1.26 0.34 115.64 106.10 3hze s THR 92 Ca 0.09 -1.83 0.22 0.00 -1.18 0.00 0.00 61.69 58.99 3hze s THR 92 Cb -0.04 -2.90 0.29 0.00 1.34 0.00 0.00 72.50 71.19 3hze s THR 92 CO 0.00 -0.29 2.16 0.77 -0.54 0.00 0.00 174.62 176.72 3hze h SER 93 N 1.75 0.00 1.26 3.99 4.64 -1.46 0.86 113.55 124.58 3hze h SER 93 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3hze h SER 93 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3hze h SER 93 CO 0.62 0.04 0.00 1.05 -0.87 0.00 0.00 176.83 177.67 3hze h GLU 94 N 0.00 0.00 0.01 4.77 9.09 -1.95 -3.20 114.58 123.30 3hze h GLU 94 Ca -0.00 0.00 -0.34 0.00 0.05 0.00 0.00 59.36 59.07 3hze h GLU 94 Cb 0.08 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.12 3hze h GLU 94 CO 0.00 0.00 -2.07 0.39 0.05 0.00 0.00 179.01 177.39 3hze n GLU 95 N -2.40 0.67 -3.91 1.06 1.02 0.20 -4.84 120.64 112.44 3hze n GLU 95 Ca 0.04 0.16 -0.30 0.00 -0.02 0.00 0.00 57.16 57.04 3hze n GLU 95 Cb 0.37 -1.65 -0.16 0.00 -0.02 0.00 0.00 31.44 29.97 3hze n GLU 95 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hze s VAL 96 N -2.54 1.31 0.20 2.62 1.01 -0.65 -4.99 120.40 117.36 3hze s VAL 96 Ca -0.10 -0.99 -0.18 0.00 0.00 0.00 0.00 61.98 60.71 3hze s VAL 96 Cb 0.07 -1.58 0.17 0.00 0.00 0.00 0.00 36.38 35.04 3hze s VAL 96 CO 0.81 -0.05 1.60 -0.65 0.00 0.00 0.00 175.10 176.81 3hze h PRO 97 N 8.03 -0.10 -3.04 2.72 0.11 -1.89 -3.31 132.00 134.52 3hze h PRO 97 Ca -0.20 0.01 -0.62 0.00 0.11 0.00 0.00 66.00 65.30 3hze h PRO 97 Cb 1.09 0.02 -0.41 0.00 0.11 0.00 0.00 31.00 31.82 3hze h PRO 97 CO 0.41 -0.07 -0.70 -0.80 -0.21 0.00 0.00 178.00 176.63 3hze s ASN 98 N -5.18 3.87 0.29 -2.05 -0.87 -1.26 -5.02 114.94 104.71 3hze s ASN 98 Ca -0.14 -3.09 -0.05 0.00 -1.57 0.00 0.00 52.86 48.00 3hze s ASN 98 Cb 0.17 -1.27 0.55 0.00 -0.02 0.00 0.00 41.25 40.68 3hze s ASN 98 CO 0.71 -0.20 1.54 -2.65 -2.57 0.00 0.00 177.10 173.93 3hze n PRO 99 N 2.94 -0.09 -0.37 -0.60 -0.02 -1.25 -1.70 135.00 133.92 3hze n PRO 99 Ca 0.13 1.52 0.08 0.00 -2.02 0.00 0.00 63.50 63.21 3hze n PRO 99 Cb 0.36 -2.31 0.26 0.00 -0.02 0.00 0.00 33.50 31.78 3hze n PRO 99 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3hze n LEU 100 N -5.57 3.35 -4.73 2.45 4.77 -1.26 -4.79 117.00 111.21 3hze n LEU 100 Ca 0.18 -1.68 -0.42 0.00 -0.03 0.00 0.00 56.01 54.06 3hze n LEU 100 Cb 0.58 -0.43 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 3hze n LEU 100 CO -0.10 0.72 1.31 0.00 -1.33 0.00 0.00 177.39 177.98 3hze s ALA 101 N -1.46 3.84 -0.03 -1.18 0.00 -0.69 -4.95 121.76 117.30 3hze s ALA 101 Ca 0.39 1.58 0.05 0.00 0.00 0.00 0.00 51.96 53.97 3hze s ALA 101 Cb 0.22 -3.67 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 3hze s ALA 101 CO 0.23 -0.95 -0.16 0.45 0.00 0.00 0.00 175.76 175.34 3hze s SER 102 N 0.86 3.93 -0.04 0.00 0.15 -1.26 -1.29 113.70 116.05 3hze s SER 102 Ca 0.69 -0.26 0.20 0.00 0.70 0.00 0.00 55.95 57.29 3hze s SER 102 Cb -0.49 -0.77 0.64 0.00 -1.71 0.00 0.00 66.02 63.70 3hze s SER 102 CO 0.39 0.32 1.55 0.18 1.20 0.00 0.00 173.24 176.88 3hze n LEU 103 N 2.13 4.14 -4.76 3.45 4.77 0.10 -4.85 117.00 121.99 3hze n LEU 103 Ca -0.17 -2.15 -0.38 0.00 -0.03 0.00 0.00 56.01 53.28 3hze n LEU 103 Cb 0.52 -0.50 0.03 0.00 -2.33 0.00 0.00 43.42 41.14 3hze n LEU 103 CO 0.26 0.91 0.95 0.00 -1.33 0.00 0.00 177.39 178.18 3hze s ALA 104 N -1.29 2.87 -0.11 -1.18 0.00 -1.26 -4.94 121.76 115.86 3hze s ALA 104 Ca 0.48 1.23 0.04 0.00 0.00 0.00 0.00 51.96 53.71 3hze s ALA 104 Cb 0.27 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.82 3hze s ALA 104 CO 0.29 -1.18 0.13 -1.13 0.00 0.00 0.00 175.76 173.87 3hze n SER 105 N -0.87 1.83 -4.62 0.00 3.41 -1.26 -5.01 113.62 107.10 3hze n SER 105 Ca 0.09 -0.34 -0.34 0.00 -0.26 0.00 0.00 58.87 58.02 3hze n SER 105 Cb 0.46 1.08 -0.10 0.00 -0.26 0.00 0.00 64.21 65.38 3hze n SER 105 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3hze s VAL 106 N -1.76 4.27 -0.21 -3.33 1.01 -1.26 -5.09 120.40 114.03 3hze s VAL 106 Ca 0.00 -0.24 -0.18 0.00 0.00 0.00 0.00 61.98 61.56 3hze s VAL 106 Cb 0.03 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 3hze s VAL 106 CO 0.16 0.55 0.49 -0.22 0.00 0.00 0.00 175.10 176.08 3hze s LEU 107 N -0.30 4.14 0.00 3.92 2.96 -1.26 -5.19 118.68 122.95 3hze s LEU 107 Ca 0.06 0.62 0.03 0.00 -0.22 0.00 0.00 54.13 54.62 3hze s LEU 107 Cb -0.12 -2.66 0.18 0.00 0.50 0.00 0.00 46.19 44.10 3hze s LEU 107 CO 0.02 -0.16 0.67 1.21 -1.32 0.00 0.00 176.35 176.77