#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uua n LYS 3 N 0.00 1.14 -1.85 0.54 5.02 -1.26 -4.84 118.16 116.92 2uua n LYS 3 Ca 0.00 0.41 -0.41 0.00 -2.02 0.00 0.00 58.31 56.29 2uua n LYS 3 Cb 0.00 -2.06 -0.01 0.00 -0.02 0.00 0.00 35.03 32.94 2uua n LYS 3 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2uua s LYS 4 N 1.03 4.14 -0.19 1.97 2.47 -1.26 -4.58 119.74 123.32 2uua s LYS 4 Ca 0.87 2.52 0.01 0.00 -1.56 0.00 0.00 55.97 57.81 2uua s LYS 4 Cb -0.98 -2.99 0.02 0.00 -1.46 0.00 0.00 37.83 32.43 2uua s LYS 4 CO 0.50 -0.49 -0.17 0.08 0.16 0.00 0.00 175.35 175.43 2uua s VAL 5 N -1.06 2.21 0.10 4.02 1.01 -1.25 0.24 120.40 125.67 2uua s VAL 5 Ca 0.53 -0.97 0.10 0.00 0.00 0.00 0.00 61.98 61.64 2uua s VAL 5 Cb -0.46 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 2uua s VAL 5 CO 0.61 0.46 -0.24 -0.76 0.00 0.00 0.00 175.10 175.17 2uua s LEU 6 N 1.29 2.40 -0.11 3.92 1.43 0.19 -4.88 118.68 122.92 2uua s LEU 6 Ca 0.04 -0.65 -0.00 0.00 -1.03 0.00 0.00 54.13 52.48 2uua s LEU 6 Cb -0.14 -1.33 -0.02 0.00 0.03 0.00 0.00 46.19 44.73 2uua s LEU 6 CO -0.11 0.20 -0.09 -0.89 0.23 0.00 0.00 176.35 175.68 2uua s THR 7 N -1.02 3.43 0.30 5.49 2.01 -1.26 0.19 115.64 124.77 2uua s THR 7 Ca 0.15 -0.55 -0.09 0.00 0.31 0.00 0.00 61.69 61.51 2uua s THR 7 Cb -0.10 -2.43 0.03 0.00 0.01 0.00 0.00 72.50 70.01 2uua s THR 7 CO 0.06 0.55 0.55 0.61 -0.69 0.00 0.00 174.62 175.70 2uua n GLY 8 N 3.00 1.52 3.49 4.40 0.00 -0.39 -4.50 105.19 112.71 2uua n GLY 8 Ca -0.18 -1.30 -0.32 0.00 0.00 0.00 0.00 46.02 44.22 2uua n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uua s VAL 9 N -2.43 3.10 -0.14 1.61 0.11 -0.18 -0.67 120.40 121.81 2uua s VAL 9 Ca 0.15 -0.87 -0.29 0.00 -2.93 0.00 0.00 61.98 58.04 2uua s VAL 9 Cb -0.03 -2.27 -0.02 0.00 -1.53 0.00 0.00 36.38 32.54 2uua s VAL 9 CO 0.11 0.48 1.20 -0.69 -3.33 0.00 0.00 175.10 172.87 2uua s VAL 10 N -0.84 4.35 -0.75 2.04 1.01 -0.31 -0.09 120.40 125.80 2uua s VAL 10 Ca 0.14 1.64 0.12 0.00 0.00 0.00 0.00 61.98 63.87 2uua s VAL 10 Cb -0.11 -4.06 -0.08 0.00 0.00 0.00 0.00 36.38 32.13 2uua s VAL 10 CO 0.03 -0.09 0.57 1.33 0.00 0.00 0.00 175.10 176.94 2uua n VAL 11 N 5.09 0.00 -3.65 2.92 0.24 0.23 -2.12 118.33 121.05 2uua n VAL 11 Ca 0.12 -0.27 -0.09 0.00 -2.04 0.00 0.00 64.34 62.06 2uua n VAL 11 Cb 0.46 1.05 -0.08 0.00 -1.47 0.00 0.00 33.84 33.80 2uua n VAL 11 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2uua s SER 12 N -1.92 -0.82 -0.09 -1.34 0.15 -1.22 -4.94 113.70 103.52 2uua s SER 12 Ca 0.06 1.36 0.17 0.00 0.70 0.00 0.00 55.95 58.24 2uua s SER 12 Cb 0.09 1.27 0.35 0.00 -1.71 0.00 0.00 66.02 66.02 2uua s SER 12 CO 0.42 -0.23 1.16 -0.90 1.20 0.00 0.00 173.24 174.90 2uua n ASP 13 N 3.97 1.27 -0.22 5.45 5.68 -1.26 -0.60 116.55 130.83 2uua n ASP 13 Ca -0.19 -2.79 0.01 0.00 -0.50 0.00 0.00 54.79 51.32 2uua n ASP 13 Cb 0.58 -0.38 0.02 0.00 -1.14 0.00 0.00 41.12 40.19 2uua n ASP 13 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2uua n LYS 14 N -0.35 1.12 -5.06 0.11 4.76 -1.26 -4.76 118.16 112.71 2uua n LYS 14 Ca 0.11 -0.14 -0.28 0.00 -2.87 0.00 0.00 58.31 55.13 2uua n LYS 14 Cb 0.87 -1.18 -0.16 0.00 -1.84 0.00 0.00 35.03 32.72 2uua n LYS 14 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2uua s MET 15 N -1.69 1.89 -0.08 1.97 -1.94 -1.24 -5.09 119.30 113.12 2uua s MET 15 Ca 0.02 -0.77 -0.29 0.00 -1.71 0.00 0.00 55.69 52.94 2uua s MET 15 Cb 0.01 -1.75 -0.06 0.00 2.01 0.00 0.00 34.83 35.04 2uua s MET 15 CO 0.01 0.42 1.86 -0.65 -0.01 0.00 0.00 175.02 176.65 2uua s GLN 16 N -0.36 3.92 -1.55 2.03 -0.21 -1.26 -2.19 119.66 120.04 2uua s GLN 16 Ca 0.04 2.22 0.00 0.00 0.02 0.00 0.00 55.36 57.64 2uua s GLN 16 Cb -0.10 -4.13 0.00 0.00 1.00 0.00 0.00 33.01 29.79 2uua s GLN 16 CO 0.00 -1.18 0.00 1.63 -2.12 0.00 0.00 175.29 173.62 2uua n LYS 17 N 7.66 -1.28 -3.72 2.91 5.02 -1.25 -4.97 118.16 122.53 2uua n LYS 17 Ca 0.21 0.91 -0.12 0.00 -2.02 0.00 0.00 58.31 57.29 2uua n LYS 17 Cb 0.43 -5.26 -0.12 0.00 -0.02 0.00 0.00 35.03 30.06 2uua n LYS 17 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2uua s THR 18 N -2.76 -0.03 0.01 -0.18 2.01 -0.93 -0.16 115.64 113.60 2uua s THR 18 Ca 0.00 0.12 0.07 0.00 0.31 0.00 0.00 61.69 62.18 2uua s THR 18 Cb 0.00 -0.48 -0.02 0.00 0.01 0.00 0.00 72.50 72.01 2uua s THR 18 CO 0.00 0.05 -0.20 0.68 -0.69 0.00 0.00 174.62 174.46 2uua s VAL 19 N 1.26 1.58 -0.21 3.82 -7.23 -0.89 -3.73 120.40 115.00 2uua s VAL 19 Ca -0.09 -0.99 -0.21 0.00 -1.81 0.00 0.00 61.98 58.88 2uua s VAL 19 Cb -0.09 -1.34 -0.02 0.00 0.56 0.00 0.00 36.38 35.48 2uua s VAL 19 CO -0.10 0.33 0.66 -0.89 -0.31 0.00 0.00 175.10 174.79 2uua s THR 20 N -0.61 4.99 -0.30 5.32 2.01 0.23 -1.16 115.64 126.11 2uua s THR 20 Ca 0.07 1.24 -0.08 0.00 0.31 0.00 0.00 61.69 63.24 2uua s THR 20 Cb -0.08 -3.97 0.01 0.00 0.01 0.00 0.00 72.50 68.46 2uua s THR 20 CO 0.00 0.07 0.11 -0.69 -0.69 0.00 0.00 174.62 173.42 2uua s VAL 21 N 2.12 4.16 0.18 3.82 1.01 0.14 -0.60 120.40 131.23 2uua s VAL 21 Ca 0.30 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.33 2uua s VAL 21 Cb -0.16 -3.16 -0.07 0.00 0.00 0.00 0.00 36.38 32.99 2uua s VAL 21 CO 0.10 0.05 0.97 -0.22 0.00 0.00 0.00 175.10 176.00 2uua s LEU 22 N 1.53 4.56 -0.05 3.92 2.96 0.86 -1.14 118.68 131.32 2uua s LEU 22 Ca 0.03 1.90 0.00 0.00 -0.22 0.00 0.00 54.13 55.84 2uua s LEU 22 Cb -0.17 -3.60 0.02 0.00 0.50 0.00 0.00 46.19 42.94 2uua s LEU 22 CO 0.04 0.01 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.37 2uua s VAL 23 N -0.56 0.42 0.34 1.68 1.01 0.42 -1.01 120.40 122.70 2uua s VAL 23 Ca 0.45 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.50 2uua s VAL 23 Cb -0.25 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 2uua s VAL 23 CO 0.32 0.23 0.28 -1.61 0.00 0.00 0.00 175.10 174.31 2uua s GLU 24 N 1.34 2.68 -0.21 2.72 2.02 -1.26 -0.18 118.70 125.80 2uua s GLU 24 Ca -0.05 -1.33 -0.15 0.00 0.02 0.00 0.00 54.97 53.46 2uua s GLU 24 Cb -0.13 -2.44 0.06 0.00 0.10 0.00 0.00 34.13 31.72 2uua s GLU 24 CO -0.02 0.09 0.52 -0.98 0.02 0.00 0.00 175.26 174.89 2uua s ARG 25 N -3.98 0.56 0.25 1.61 1.70 -0.31 -4.98 118.95 113.81 2uua s ARG 25 Ca 0.41 0.86 0.07 0.00 -0.47 0.00 0.00 55.73 56.60 2uua s ARG 25 Cb -0.05 0.16 -0.04 0.00 -0.57 0.00 0.00 34.95 34.45 2uua s ARG 25 CO 0.26 -0.12 0.19 1.14 -1.08 0.00 0.00 175.30 175.69 2uua s GLN 26 N 0.94 2.91 -0.26 3.89 -2.07 -1.26 -2.31 119.66 121.50 2uua s GLN 26 Ca -0.05 -1.06 -0.35 0.00 -1.82 0.00 0.00 55.36 52.08 2uua s GLN 26 Cb -0.06 -2.55 0.16 0.00 -1.09 0.00 0.00 33.01 29.47 2uua s GLN 26 CO -0.08 0.40 1.32 -0.59 -1.32 0.00 0.00 175.29 175.03 2uua s PHE 27 N -2.12 -0.06 0.34 9.60 -0.12 -0.09 -4.98 117.98 120.56 2uua s PHE 27 Ca 0.33 0.05 -0.29 0.00 -0.05 0.00 0.00 56.93 56.98 2uua s PHE 27 Cb -0.08 0.50 -0.11 0.00 -0.63 0.00 0.00 43.02 42.71 2uua s PHE 27 CO 0.25 -0.08 1.44 -2.14 -0.05 0.00 0.00 175.22 174.64 2uua s PRO 28 N -1.85 4.20 0.05 1.99 0.02 -1.26 -0.62 135.00 137.54 2uua s PRO 28 Ca 0.10 2.44 -0.30 0.00 0.02 0.00 0.00 61.00 63.26 2uua s PRO 28 Cb -0.01 -3.02 -0.05 0.00 0.02 0.00 0.00 34.50 31.44 2uua s PRO 28 CO -0.04 -0.42 1.14 -1.58 -0.33 0.00 0.00 177.00 175.76 2uua s HIS 29 N -0.94 3.50 0.49 6.54 2.46 -0.95 -4.84 115.29 121.56 2uua s HIS 29 Ca 0.53 1.41 0.35 0.00 0.47 0.00 0.00 55.06 57.82 2uua s HIS 29 Cb -0.44 -3.34 1.48 0.00 -0.13 0.00 0.00 32.58 30.15 2uua s HIS 29 CO 0.57 -0.94 1.70 -1.00 -2.47 0.00 0.00 174.74 172.60 2uua h PRO 30 N 6.73 0.09 0.00 2.88 0.13 -1.92 -2.01 132.00 137.90 2uua h PRO 30 Ca -0.42 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2uua h PRO 30 Cb 1.22 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2uua h PRO 30 CO 0.79 0.06 -0.86 -0.11 -0.23 0.00 0.00 178.00 177.65 2uua n LEU 31 N -4.35 0.00 -0.58 1.56 7.94 -1.26 -4.81 117.00 115.50 2uua n LEU 31 Ca 0.33 0.00 0.11 0.00 -1.11 0.00 0.00 56.01 55.34 2uua n LEU 31 Cb 1.40 0.00 0.06 0.00 0.53 0.00 0.00 43.42 45.41 2uua n LEU 31 CO 0.33 0.00 0.42 -1.22 -1.11 0.00 0.00 177.39 175.81 2uua n TYR 32 N -1.66 0.00 0.00 1.96 0.53 -1.20 -5.00 117.16 111.79 2uua n TYR 32 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 2uua n TYR 32 Cb 0.32 -0.01 0.00 0.00 -1.03 0.00 0.00 39.34 38.62 2uua n TYR 32 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2uua n GLY 33 N 1.39 1.44 0.94 2.72 0.00 -0.76 -4.90 105.19 106.02 2uua n GLY 33 Ca 0.11 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 2uua n GLY 33 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2uua n LYS 34 N 0.00 0.00 -2.02 1.61 4.81 -1.26 -2.57 118.16 118.73 2uua n LYS 34 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.01 2uua n LYS 34 Cb 0.00 -0.38 -0.03 0.00 0.02 0.00 0.00 35.03 34.64 2uua n LYS 34 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2uua s VAL 35 N 0.45 3.53 0.29 3.15 1.01 -1.26 -2.23 120.40 125.33 2uua s VAL 35 Ca 0.25 0.56 0.06 0.00 0.00 0.00 0.00 61.98 62.85 2uua s VAL 35 Cb -0.36 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 2uua s VAL 35 CO 0.18 -0.36 0.40 0.27 0.00 0.00 0.00 175.10 175.59 2uua s ILE 36 N 6.32 4.51 -0.29 2.22 -4.36 0.21 -4.84 121.20 124.98 2uua s ILE 36 Ca 0.78 -1.04 -0.02 0.00 -0.26 0.00 0.00 60.65 60.11 2uua s ILE 36 Cb -0.24 -3.57 0.09 0.00 1.25 0.00 0.00 42.46 40.00 2uua s ILE 36 CO 0.33 -0.24 0.10 -0.75 0.24 0.00 0.00 174.94 174.62 2uua s LYS 37 N -4.07 0.58 0.38 0.37 2.20 -1.26 -0.91 119.74 117.03 2uua s LYS 37 Ca 0.40 -0.85 0.07 0.00 -0.36 0.00 0.00 55.97 55.22 2uua s LYS 37 Cb -0.09 -1.80 -0.00 0.00 -1.51 0.00 0.00 37.83 34.43 2uua s LYS 37 CO 0.30 -0.95 0.52 1.03 -0.36 0.00 0.00 175.35 175.89 2uua s ARG 38 N 1.77 3.00 0.26 4.03 3.00 -0.98 -4.92 118.95 125.11 2uua s ARG 38 Ca 0.08 -1.07 -0.03 0.00 0.00 0.00 0.00 55.73 54.72 2uua s ARG 38 Cb -0.17 -2.78 -0.02 0.00 0.00 0.00 0.00 34.95 31.98 2uua s ARG 38 CO -0.26 -0.09 0.29 -1.54 0.00 0.00 0.00 175.30 173.70 2uua s SER 39 N -4.25 0.47 -0.16 0.23 1.04 -1.26 -1.16 113.70 108.62 2uua s SER 39 Ca 0.49 -1.36 -0.28 0.00 0.48 0.00 0.00 55.95 55.28 2uua s SER 39 Cb -0.10 0.51 0.07 0.00 0.10 0.00 0.00 66.02 66.60 2uua s SER 39 CO 0.32 -1.03 0.69 -0.75 0.98 0.00 0.00 173.24 173.46 2uua s LYS 40 N -3.82 0.94 -0.13 4.02 2.20 0.74 -4.97 119.74 118.73 2uua s LYS 40 Ca 0.34 0.63 -0.13 0.00 -0.36 0.00 0.00 55.97 56.45 2uua s LYS 40 Cb 0.03 0.45 -0.05 0.00 -1.51 0.00 0.00 37.83 36.75 2uua s LYS 40 CO 0.15 -0.21 0.29 0.15 -0.36 0.00 0.00 175.35 175.37 2uua s LYS 41 N -0.38 4.08 -0.07 4.03 1.02 -1.26 -0.44 119.74 126.71 2uua s LYS 41 Ca -0.05 0.12 0.05 0.00 0.02 0.00 0.00 55.97 56.10 2uua s LYS 41 Cb -0.03 -3.35 -0.01 0.00 -0.52 0.00 0.00 37.83 33.92 2uua s LYS 41 CO 0.05 0.40 -0.22 0.71 -0.92 0.00 0.00 175.35 175.37 2uua s TYR 42 N -0.03 2.53 -0.47 3.18 1.51 -0.29 -4.92 117.35 118.86 2uua s TYR 42 Ca 0.17 -0.65 -0.21 0.00 -1.01 0.00 0.00 57.07 55.37 2uua s TYR 42 Cb -0.13 -1.64 0.04 0.00 -0.11 0.00 0.00 41.96 40.11 2uua s TYR 42 CO 0.06 -0.17 0.69 -0.51 -1.11 0.00 0.00 175.55 174.51 2uua s LEU 43 N -0.14 4.55 0.11 -1.29 1.43 -1.26 0.23 118.68 122.31 2uua s LEU 43 Ca -0.03 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 2uua s LEU 43 Cb -0.14 -2.69 -0.04 0.00 0.03 0.00 0.00 46.19 43.36 2uua s LEU 43 CO 0.04 -0.89 0.22 0.00 0.23 0.00 0.00 176.35 175.95 2uua s ALA 44 N 2.97 3.89 -0.00 4.21 0.00 -0.31 -4.00 121.76 128.51 2uua s ALA 44 Ca 0.22 -0.99 -0.30 0.00 0.00 0.00 0.00 51.96 50.90 2uua s ALA 44 Cb -0.15 -1.71 -0.03 0.00 0.00 0.00 0.00 23.12 21.23 2uua s ALA 44 CO 0.17 0.66 0.97 -1.58 0.00 0.00 0.00 175.76 175.98 2uua s HIS 45 N -1.63 3.66 -0.48 0.00 2.46 0.13 -2.10 115.29 117.33 2uua s HIS 45 Ca 0.34 1.68 0.05 0.00 0.47 0.00 0.00 55.06 57.59 2uua s HIS 45 Cb -0.12 -3.11 0.18 0.00 -0.13 0.00 0.00 32.58 29.41 2uua s HIS 45 CO 0.27 -0.01 0.41 -3.47 -2.47 0.00 0.00 174.74 169.47 2uua n ASP 46 N 3.89 0.46 -0.18 9.88 4.64 0.78 -2.60 116.55 133.42 2uua n ASP 46 Ca 0.06 -2.62 0.12 0.00 -1.38 0.00 0.00 54.79 50.97 2uua n ASP 46 Cb 0.51 -0.61 0.45 0.00 -1.04 0.00 0.00 41.12 40.43 2uua n ASP 46 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2uua h PRO 47 N 5.36 0.52 -0.21 -0.67 0.13 -1.95 -1.31 132.00 133.88 2uua h PRO 47 Ca 0.22 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2uua h PRO 47 Cb 0.86 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2uua h PRO 47 CO 0.47 0.35 0.00 0.39 -0.23 0.00 0.00 178.00 178.97 2uua n GLU 48 N -4.50 2.06 -0.74 0.86 1.02 -1.26 -4.85 120.64 113.24 2uua n GLU 48 Ca 0.14 -1.58 0.00 0.00 -0.02 0.00 0.00 57.16 55.69 2uua n GLU 48 Cb 0.43 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 2uua n GLU 48 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2uua n GLU 49 N 0.83 -0.80 -0.32 3.49 -0.58 -0.49 -4.85 120.64 117.91 2uua n GLU 49 Ca 0.17 0.20 0.08 0.00 -0.42 0.00 0.00 57.16 57.19 2uua n GLU 49 Cb 0.46 -4.57 0.19 0.00 -0.57 0.00 0.00 31.44 26.95 2uua n GLU 49 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2uua h LYS 50 N 0.16 0.02 -6.75 3.49 3.64 -1.90 -3.43 116.57 111.80 2uua h LYS 50 Ca 0.00 -0.00 -0.49 0.00 -1.27 0.00 0.00 60.65 58.89 2uua h LYS 50 Cb 0.40 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 2uua h LYS 50 CO 0.00 0.01 0.21 0.71 -2.27 0.00 0.00 179.45 178.11 2uua s TYR 51 N -6.15 3.58 0.55 1.91 1.51 -1.26 -5.08 117.35 112.42 2uua s TYR 51 Ca -0.14 1.51 0.04 0.00 -1.01 0.00 0.00 57.07 57.48 2uua s TYR 51 Cb 0.26 -2.73 0.04 0.00 -0.11 0.00 0.00 41.96 39.42 2uua s TYR 51 CO 0.77 0.21 0.33 0.15 -1.11 0.00 0.00 175.55 175.90 2uua s LYS 52 N -2.29 2.24 -0.11 -0.62 3.01 -1.26 -5.01 119.74 115.70 2uua s LYS 52 Ca 0.49 -2.13 -0.29 0.00 -1.01 0.00 0.00 55.97 53.03 2uua s LYS 52 Cb -0.15 -1.97 -0.03 0.00 -1.01 0.00 0.00 37.83 34.66 2uua s LYS 52 CO 0.20 -0.61 1.36 -1.17 0.51 0.00 0.00 175.35 175.64 2uua s LEU 53 N -4.22 4.24 0.00 3.17 2.96 -1.26 -2.79 118.68 120.77 2uua s LEU 53 Ca 0.27 1.87 0.00 0.00 -0.22 0.00 0.00 54.13 56.05 2uua s LEU 53 Cb -0.02 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.13 2uua s LEU 53 CO 0.17 -0.78 0.00 0.61 -1.32 0.00 0.00 176.35 175.03 2uua n GLY 54 N 3.71 0.50 3.75 7.98 0.00 -0.90 -4.75 105.19 115.47 2uua n GLY 54 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 2uua n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2uua s ASP 55 N -2.14 7.46 -0.26 1.61 1.01 -1.12 -1.12 116.67 122.11 2uua s ASP 55 Ca 0.00 2.05 -0.11 0.00 0.71 0.00 0.00 52.55 55.19 2uua s ASP 55 Cb 0.00 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.27 2uua s ASP 55 CO 0.00 -0.01 0.20 -0.69 0.21 0.00 0.00 175.17 174.88 2uua s VAL 56 N -0.89 5.32 0.28 -1.27 1.01 0.70 -1.16 120.40 124.39 2uua s VAL 56 Ca 0.44 0.23 0.04 0.00 0.00 0.00 0.00 61.98 62.69 2uua s VAL 56 Cb -0.28 -3.54 -0.06 0.00 0.00 0.00 0.00 36.38 32.50 2uua s VAL 56 CO 0.35 0.29 0.03 0.68 0.00 0.00 0.00 175.10 176.45 2uua s VAL 57 N 1.43 1.08 -0.08 2.92 -7.23 0.16 0.77 120.40 119.45 2uua s VAL 57 Ca 0.08 -2.02 -0.05 0.00 -1.81 0.00 0.00 61.98 58.18 2uua s VAL 57 Cb -0.15 -2.60 -0.04 0.00 0.56 0.00 0.00 36.38 34.15 2uua s VAL 57 CO 0.08 -0.13 0.12 -1.61 -0.31 0.00 0.00 175.10 173.25 2uua s GLU 58 N -3.89 3.33 0.00 4.82 2.02 0.01 -1.26 118.70 123.73 2uua s GLU 58 Ca 0.34 -0.24 0.08 0.00 0.02 0.00 0.00 54.97 55.16 2uua s GLU 58 Cb 0.07 -3.08 -0.02 0.00 0.10 0.00 0.00 34.13 31.20 2uua s GLU 58 CO 0.13 0.74 -0.25 0.42 0.02 0.00 0.00 175.26 176.32 2uua s ILE 59 N -1.07 2.20 -0.03 -1.63 -1.09 0.51 -0.26 121.20 119.83 2uua s ILE 59 Ca 0.18 -1.16 0.02 0.00 -2.23 0.00 0.00 60.65 57.46 2uua s ILE 59 Cb -0.12 -1.81 0.00 0.00 -1.58 0.00 0.00 42.46 38.96 2uua s ILE 59 CO 0.07 0.50 -0.09 -0.51 -1.23 0.00 0.00 174.94 173.69 2uua s ILE 60 N -0.70 0.80 0.11 2.92 2.07 -0.32 0.54 121.20 126.63 2uua s ILE 60 Ca 0.11 -0.36 -0.35 0.00 -1.41 0.00 0.00 60.65 58.63 2uua s ILE 60 Cb -0.10 -0.72 -0.17 0.00 0.13 0.00 0.00 42.46 41.60 2uua s ILE 60 CO 0.00 0.25 1.16 1.21 -1.91 0.00 0.00 174.94 175.66 2uua n GLU 61 N 3.33 0.85 -4.11 3.50 2.13 0.14 -2.00 120.64 124.48 2uua n GLU 61 Ca -0.19 0.31 -0.10 0.00 0.66 0.00 0.00 57.16 57.83 2uua n GLU 61 Cb 0.54 -1.82 -0.09 0.00 0.27 0.00 0.00 31.44 30.34 2uua n GLU 61 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2uua s SER 62 N 0.10 0.15 0.23 4.31 0.01 -0.58 -4.80 113.70 113.12 2uua s SER 62 Ca 0.80 -1.18 -0.30 0.00 1.31 0.00 0.00 55.95 56.58 2uua s SER 62 Cb -0.97 0.39 -0.10 0.00 0.21 0.00 0.00 66.02 65.55 2uua s SER 62 CO 0.52 -0.85 1.40 -0.60 0.41 0.00 0.00 173.24 174.12 2uua s ARG 63 N -4.07 4.30 0.03 12.44 3.52 -1.26 -4.63 118.95 129.28 2uua s ARG 63 Ca 0.28 2.22 -0.39 0.00 -0.13 0.00 0.00 55.73 57.71 2uua s ARG 63 Cb 0.06 -3.14 -0.19 0.00 -1.56 0.00 0.00 34.95 30.12 2uua s ARG 63 CO 0.06 -0.37 1.16 -2.30 -0.81 0.00 0.00 175.30 173.03 2uua n PRO 64 N 2.52 0.40 -0.01 5.12 -0.02 -1.26 -4.84 135.00 136.91 2uua n PRO 64 Ca 0.07 0.15 0.08 0.00 -2.02 0.00 0.00 63.50 61.78 2uua n PRO 64 Cb 0.41 -1.69 -0.12 0.00 -0.02 0.00 0.00 33.50 32.08 2uua n PRO 64 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2uua n ILE 65 N 1.83 0.00 -3.61 4.25 -0.00 -0.28 -5.03 119.36 116.52 2uua n ILE 65 Ca 0.19 -0.36 -0.02 0.00 -0.00 0.00 0.00 62.75 62.57 2uua n ILE 65 Cb 0.12 0.15 -0.01 0.00 -0.00 0.00 0.00 39.64 39.89 2uua n ILE 65 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 2uua s SER 66 N -3.83 -0.07 -0.06 4.38 1.04 -1.14 -4.97 113.70 109.06 2uua s SER 66 Ca -0.06 -0.03 -0.30 0.00 0.48 0.00 0.00 55.95 56.05 2uua s SER 66 Cb 0.10 0.09 -0.06 0.00 0.10 0.00 0.00 66.02 66.25 2uua s SER 66 CO 0.67 -0.15 1.84 -0.75 0.98 0.00 0.00 173.24 175.82 2uua s LYS 67 N -2.25 3.99 0.00 4.02 2.20 -1.26 -0.79 119.74 125.65 2uua s LYS 67 Ca 0.12 2.27 0.00 0.00 -0.36 0.00 0.00 55.97 57.99 2uua s LYS 67 Cb 0.01 -4.11 0.00 0.00 -1.51 0.00 0.00 37.83 32.23 2uua s LYS 67 CO -0.04 -1.09 0.00 -2.13 -0.36 0.00 0.00 175.35 171.73 2uua n ARG 68 N 7.55 0.00 -3.66 4.03 3.00 -1.26 -5.03 116.66 121.29 2uua n ARG 68 Ca 0.20 0.00 -0.39 0.00 -0.00 0.00 0.00 57.85 57.66 2uua n ARG 68 Cb 0.43 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.79 2uua n ARG 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 2uua s LYS 69 N -0.52 2.34 -0.08 -0.14 2.20 0.03 -4.33 119.74 119.23 2uua s LYS 69 Ca 0.00 -1.69 0.12 0.00 -0.36 0.00 0.00 55.97 54.05 2uua s LYS 69 Cb 0.00 -3.74 0.23 0.00 -1.51 0.00 0.00 37.83 32.82 2uua s LYS 69 CO 0.00 -1.07 1.11 0.54 -0.36 0.00 0.00 175.35 175.58 2uua n ARG 70 N 4.79 0.73 -3.98 4.03 3.00 -1.26 -1.12 116.66 122.84 2uua n ARG 70 Ca -0.07 -2.09 -0.09 0.00 -0.01 0.00 0.00 57.85 55.59 2uua n ARG 70 Cb 0.42 -0.98 -0.11 0.00 0.00 0.00 0.00 32.46 31.79 2uua n ARG 70 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2uua s PHE 71 N -1.58 0.28 0.14 -1.55 0.08 -1.26 -1.52 117.98 112.57 2uua s PHE 71 Ca 0.23 -0.58 0.10 0.00 0.12 0.00 0.00 56.93 56.80 2uua s PHE 71 Cb 0.22 -0.20 -0.04 0.00 -0.57 0.00 0.00 43.02 42.42 2uua s PHE 71 CO -0.02 -0.24 -0.23 1.03 -0.10 0.00 0.00 175.22 175.65 2uua s ARG 72 N -1.92 1.34 -0.63 0.44 0.52 -0.85 0.18 118.95 118.04 2uua s ARG 72 Ca -0.12 -1.35 -0.28 0.00 -0.52 0.00 0.00 55.73 53.47 2uua s ARG 72 Cb -0.06 -1.67 0.02 0.00 0.52 0.00 0.00 34.95 33.76 2uua s ARG 72 CO -0.02 0.38 1.36 0.08 0.02 0.00 0.00 175.30 177.11 2uua s VAL 73 N -1.39 3.78 0.09 3.52 1.01 -1.07 -1.18 120.40 125.16 2uua s VAL 73 Ca 0.14 0.60 -0.27 0.00 0.00 0.00 0.00 61.98 62.45 2uua s VAL 73 Cb -0.09 -4.61 -0.14 0.00 0.00 0.00 0.00 36.38 31.54 2uua s VAL 73 CO 0.07 -1.41 1.67 0.25 0.00 0.00 0.00 175.10 175.68 2uua h LEU 74 N 13.09 -0.45 -7.25 3.92 6.46 -0.95 -3.48 115.31 126.65 2uua h LEU 74 Ca -0.27 0.04 0.31 0.00 -0.12 0.00 0.00 57.88 57.84 2uua h LEU 74 Cb 1.08 0.15 -0.12 0.00 -0.73 0.00 0.00 40.66 41.03 2uua h LEU 74 CO 1.22 -0.27 0.80 0.00 -0.62 0.00 0.00 178.44 179.56 2uua s ARG 75 N -6.12 0.46 -0.09 1.25 1.70 -1.23 -4.96 118.95 109.96 2uua s ARG 75 Ca -0.15 -0.25 -0.23 0.00 -0.47 0.00 0.00 55.73 54.63 2uua s ARG 75 Cb 0.06 0.16 -0.03 0.00 -0.57 0.00 0.00 34.95 34.56 2uua s ARG 75 CO 0.65 -0.21 0.67 -1.17 -1.08 0.00 0.00 175.30 174.16 2uua s LEU 76 N -2.95 4.29 -0.15 -1.89 2.96 -1.26 -0.81 118.68 118.87 2uua s LEU 76 Ca 0.14 1.10 -0.09 0.00 -0.22 0.00 0.00 54.13 55.06 2uua s LEU 76 Cb 0.04 -3.02 -0.24 0.00 0.50 0.00 0.00 46.19 43.47 2uua s LEU 76 CO -0.03 -0.13 0.29 0.52 -1.32 0.00 0.00 176.35 175.67 2uua n VAL 77 N 3.90 1.72 -3.72 1.68 0.31 0.23 -4.94 118.33 117.51 2uua n VAL 77 Ca -0.02 -0.53 -0.00 0.00 -0.01 0.00 0.00 64.34 63.78 2uua n VAL 77 Cb 0.51 -1.78 -0.00 0.00 -0.91 0.00 0.00 33.84 31.66 2uua n VAL 77 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2uua s GLU 78 N -2.52 0.75 0.24 5.55 -1.05 -1.06 -5.02 118.70 115.59 2uua s GLU 78 Ca -0.25 -0.43 -0.11 0.00 -0.15 0.00 0.00 54.97 54.03 2uua s GLU 78 Cb 0.07 0.25 -0.01 0.00 -0.44 0.00 0.00 34.13 33.99 2uua s GLU 78 CO 0.72 -0.35 0.43 -1.54 0.95 0.00 0.00 175.26 175.48 2uua s SER 79 N -3.08 -0.03 0.00 0.83 1.04 -1.26 -0.22 113.70 110.98 2uua s SER 79 Ca 0.15 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 55.58 2uua s SER 79 Cb 0.02 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.70 2uua s SER 79 CO -0.01 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 173.71 2uua n GLY 80 N -0.37 0.93 2.68 7.32 0.00 -0.97 -4.93 105.19 109.85 2uua n GLY 80 Ca -0.01 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 2uua n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uua n ARG 81 N -0.49 3.47 0.33 1.61 1.74 -0.28 -4.80 116.66 118.24 2uua n ARG 81 Ca 0.00 -4.65 0.21 0.00 -0.77 0.00 0.00 57.85 52.64 2uua n ARG 81 Cb 0.45 -2.36 1.12 0.00 -1.02 0.00 0.00 32.46 30.65 2uua n ARG 81 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 2uua h MET 82 N 4.54 0.00 -0.30 5.56 2.86 -1.90 -1.66 114.93 124.03 2uua h MET 82 Ca 0.21 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.89 2uua h MET 82 Cb 0.61 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.24 2uua h MET 82 CO 1.04 0.00 0.09 0.38 1.06 0.00 0.00 176.91 179.48 2uua h ASP 83 N 0.00 0.09 -0.46 1.22 2.03 -1.96 1.06 116.42 118.39 2uua h ASP 83 Ca 0.00 0.04 -0.06 0.00 -0.73 0.00 0.00 57.03 56.28 2uua h ASP 83 Cb 0.10 0.03 -0.02 0.00 -0.83 0.00 0.00 39.33 38.62 2uua h ASP 83 CO 0.00 0.08 0.05 -0.07 -1.03 0.00 0.00 179.24 178.27 2uua h LEU 84 N 0.22 0.75 -0.17 0.15 3.38 -1.71 -1.81 115.31 116.12 2uua h LEU 84 Ca 0.14 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.84 2uua h LEU 84 Cb 0.12 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2uua h LEU 84 CO -0.15 0.84 0.06 0.58 0.09 0.00 0.00 178.44 179.86 2uua h VAL 85 N 0.64 0.96 -0.19 1.22 2.07 -1.29 -2.77 116.25 116.89 2uua h VAL 85 Ca 0.14 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.64 2uua h VAL 85 Cb 0.43 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 2uua h VAL 85 CO 0.01 0.02 -0.40 -0.33 0.02 0.00 0.00 177.57 176.90 2uua h GLU 86 N 0.14 -0.35 -0.86 1.57 4.39 0.15 -0.45 114.58 119.17 2uua h GLU 86 Ca 0.07 0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.87 2uua h GLU 86 Cb 0.04 0.08 -0.10 0.00 -0.10 0.00 0.00 28.75 28.67 2uua h GLU 86 CO -0.07 -0.23 -0.51 0.87 -1.16 0.00 0.00 179.01 177.90 2uua h LYS 87 N -0.36 -0.01 -0.33 2.33 1.57 -1.19 0.19 116.57 118.77 2uua h LYS 87 Ca 0.04 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.88 2uua h LYS 87 Cb 0.47 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.69 2uua h LYS 87 CO -0.37 -0.01 -0.37 -0.92 -0.57 0.00 0.00 179.45 177.21 2uua h TYR 88 N -0.01 -1.05 -0.57 -1.35 3.20 -1.15 0.18 116.97 116.22 2uua h TYR 88 Ca 0.14 0.06 0.10 0.00 3.14 0.00 0.00 58.73 62.17 2uua h TYR 88 Cb 0.36 0.51 -0.08 0.00 1.54 0.00 0.00 36.73 39.06 2uua h TYR 88 CO -1.01 -0.42 0.13 -0.07 -1.64 0.00 0.00 178.16 175.15 2uua h LEU 89 N -0.33 0.02 0.21 2.82 3.38 0.75 0.01 115.31 122.17 2uua h LEU 89 Ca 0.14 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 2uua h LEU 89 Cb 0.57 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2uua h LEU 89 CO -0.51 0.03 -0.10 0.40 0.09 0.00 0.00 178.44 178.35 2uua h ILE 90 N 0.26 0.82 -0.97 1.22 2.04 0.08 0.31 117.51 121.28 2uua h ILE 90 Ca 0.30 -0.15 0.17 0.00 1.00 0.00 0.00 64.86 66.17 2uua h ILE 90 Cb 0.42 0.91 -0.09 0.00 -0.74 0.00 0.00 36.82 37.33 2uua h ILE 90 CO -0.37 0.03 0.61 -0.09 0.00 0.00 0.00 178.15 178.33 2uua h ARG 91 N -0.36 0.74 -0.19 2.37 2.43 -0.26 0.17 114.38 119.28 2uua h ARG 91 Ca -0.03 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 58.95 2uua h ARG 91 Cb 0.27 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2uua h ARG 91 CO 0.05 0.49 -0.48 -0.09 -1.51 0.00 0.00 179.97 178.42 2uua h ARG 92 N 0.76 0.50 -0.06 0.20 2.43 -0.44 -3.15 114.38 114.62 2uua h ARG 92 Ca 0.52 -0.28 -0.00 0.00 -0.81 0.00 0.00 59.98 59.41 2uua h ARG 92 Cb 0.81 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.38 2uua h ARG 92 CO -0.29 0.87 0.03 0.37 -1.51 0.00 0.00 179.97 179.44 2uua h GLN 93 N 0.40 0.08 -0.71 0.20 4.15 0.14 -2.90 115.11 116.48 2uua h GLN 93 Ca 0.02 -0.01 0.14 0.00 0.77 0.00 0.00 58.65 59.57 2uua h GLN 93 Cb 0.99 -0.02 -0.13 0.00 0.21 0.00 0.00 27.48 28.53 2uua h GLN 93 CO 0.09 0.12 -0.17 -0.91 -1.93 0.00 0.00 178.83 176.03 2uua h ASN 94 N 0.02 -0.65 -0.18 -0.69 4.21 -1.09 -2.91 115.58 114.30 2uua h ASN 94 Ca 0.02 0.21 0.02 0.00 1.21 0.00 0.00 56.30 57.76 2uua h ASN 94 Cb 0.06 0.44 -0.02 0.00 -1.12 0.00 0.00 38.32 37.68 2uua h ASN 94 CO -0.00 -0.23 -0.10 -1.22 -1.29 0.00 0.00 177.43 174.58 2uua n TYR 95 N -5.47 -0.08 0.24 1.19 4.02 -1.09 0.53 117.16 116.50 2uua n TYR 95 Ca 0.09 0.22 0.00 0.00 -0.01 0.00 0.00 57.90 58.20 2uua n TYR 95 Cb 0.36 -0.51 0.00 0.00 -0.02 0.00 0.00 39.34 39.18 2uua n TYR 95 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2uua n GLU 96 N -3.39 0.18 -0.39 -0.72 -0.58 -1.10 -0.35 120.64 114.29 2uua n GLU 96 Ca 0.00 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.81 2uua n GLU 96 Cb 0.05 -1.06 0.13 0.00 -0.57 0.00 0.00 31.44 29.98 2uua n GLU 96 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2uua n SER 97 N 0.12 1.71 0.00 1.62 3.41 0.19 -3.12 113.62 117.55 2uua n SER 97 Ca 0.00 -3.06 0.00 0.00 -0.26 0.00 0.00 58.87 55.55 2uua n SER 97 Cb 0.03 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 2uua n SER 97 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2uua n LEU 98 N -0.98 0.00 -3.95 1.04 4.77 0.52 -4.49 117.00 113.92 2uua n LEU 98 Ca 0.14 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.88 2uua n LEU 98 Cb 0.70 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.84 2uua n LEU 98 CO -0.01 0.00 -1.11 -1.54 -1.33 0.00 0.00 177.39 173.40 2uua n SER 99 N -0.18 -2.62 0.00 -1.43 3.41 -1.26 -4.21 113.62 107.33 2uua n SER 99 Ca 0.00 -0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 2uua n SER 99 Cb 0.00 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.38 2uua n SER 99 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2uua n LYS 100 N 1.51 0.00 -0.25 4.33 5.02 -1.26 0.27 118.16 127.78 2uua n LYS 100 Ca -0.00 0.03 0.07 0.00 -2.02 0.00 0.00 58.31 56.39 2uua n LYS 100 Cb 0.46 -1.52 0.20 0.00 -0.02 0.00 0.00 35.03 34.15 2uua n LYS 100 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2uua n ARG 101 N -0.83 2.89 -0.01 1.97 5.12 -1.26 -5.04 116.66 119.49 2uua n ARG 101 Ca 0.00 -2.26 -0.01 0.00 -1.93 0.00 0.00 57.85 53.65 2uua n ARG 101 Cb 0.02 -1.39 0.01 0.00 -1.16 0.00 0.00 32.46 29.94 2uua n ARG 101 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2uua n GLY 102 N 0.70 -2.66 0.00 -0.13 0.00 0.14 -4.62 105.19 98.63 2uua n GLY 102 Ca 0.15 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.30 2uua n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uua n GLY 103 N -0.12 -1.69 3.86 -0.02 0.00 -1.23 -4.78 105.19 101.21 2uua n GLY 103 Ca 0.00 0.62 -0.31 0.00 0.00 0.00 0.00 46.02 46.34 2uua n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uua s LYS 104 N 0.00 3.06 0.00 1.61 -0.14 -1.26 -5.08 119.74 117.93 2uua s LYS 104 Ca 0.00 0.67 0.29 0.00 -1.36 0.00 0.00 55.97 55.57 2uua s LYS 104 Cb 0.00 -2.03 1.21 0.00 -1.68 0.00 0.00 37.83 35.33 2uua s LYS 104 CO 0.00 -0.94 1.83 0.00 -0.76 0.00 0.00 175.35 175.48