#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y9o n SER 0 N 0.00 -2.15 -3.68 1.61 2.88 -1.26 -5.05 113.62 105.96 1y9o n SER 0 Ca 0.00 -3.56 -0.42 0.00 -1.33 0.00 0.00 58.87 53.57 1y9o n SER 0 Cb 0.00 1.66 -0.00 0.00 -0.75 0.00 0.00 64.21 65.12 1y9o n SER 0 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1y9o n MET 1 N 0.62 3.20 -2.45 -1.46 0.00 -1.26 -4.93 117.12 110.84 1y9o n MET 1 Ca 0.08 -2.76 -0.43 0.00 0.00 0.00 0.00 57.70 54.60 1y9o n MET 1 Cb 0.68 -3.12 -0.02 0.00 0.00 0.00 0.00 33.22 30.76 1y9o n MET 1 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1y9o s LYS 2 N 2.31 3.64 0.29 0.03 1.02 -1.26 -5.01 119.74 120.76 1y9o s LYS 2 Ca 0.49 0.80 0.10 0.00 0.02 0.00 0.00 55.97 57.38 1y9o s LYS 2 Cb 0.14 -3.98 -0.05 0.00 -0.52 0.00 0.00 37.83 33.42 1y9o s LYS 2 CO -0.07 -1.49 -0.15 0.15 -0.92 0.00 0.00 175.35 172.88 1y9o s LYS 3 N 4.74 1.67 0.18 1.68 1.02 -1.26 -5.09 119.74 122.68 1y9o s LYS 3 Ca 0.56 -1.80 0.00 0.00 0.02 0.00 0.00 55.97 54.75 1y9o s LYS 3 Cb -0.11 -1.61 0.00 0.00 -0.52 0.00 0.00 37.83 35.58 1y9o s LYS 3 CO 0.32 0.23 0.00 0.91 -0.92 0.00 0.00 175.35 175.89 1y9o n TRP 4 N -0.64 -1.37 -1.62 3.18 8.01 -1.26 -5.06 117.44 118.67 1y9o n TRP 4 Ca -0.05 0.74 -0.06 0.00 -1.31 0.00 0.00 57.50 56.82 1y9o n TRP 4 Cb 0.61 -1.61 0.04 0.00 -2.01 0.00 0.00 31.31 28.34 1y9o n TRP 4 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 1y9o n SER 5 N -1.49 0.12 -3.86 -0.99 3.41 -1.26 -4.92 113.62 104.63 1y9o n SER 5 Ca 0.00 -1.15 -0.41 0.00 -0.26 0.00 0.00 58.87 57.05 1y9o n SER 5 Cb 0.09 -0.18 -0.04 0.00 -0.26 0.00 0.00 64.21 63.81 1y9o n SER 5 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1y9o n ASP 6 N -3.10 3.01 0.00 4.04 2.03 -1.26 -4.70 116.55 116.57 1y9o n ASP 6 Ca 0.03 -2.73 0.00 0.00 0.52 0.00 0.00 54.79 52.62 1y9o n ASP 6 Cb 0.12 -1.36 0.00 0.00 -0.72 0.00 0.00 41.12 39.16 1y9o n ASP 6 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1y9o n THR 7 N 6.17 0.00 -3.15 5.18 -1.04 -1.26 -4.15 114.28 116.02 1y9o n THR 7 Ca 0.49 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.56 1y9o n THR 7 Cb 0.42 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 68.92 1y9o n THR 7 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1y9o s GLU 8 N 0.00 0.18 -0.02 -2.82 2.02 -1.26 -5.12 118.70 111.67 1y9o s GLU 8 Ca 0.00 0.22 -0.02 0.00 0.02 0.00 0.00 54.97 55.19 1y9o s GLU 8 Cb 0.00 0.11 -0.04 0.00 0.10 0.00 0.00 34.13 34.30 1y9o s GLU 8 CO 0.00 -0.30 0.12 0.14 0.02 0.00 0.00 175.26 175.24 1y9o s VAL 9 N 2.95 5.03 0.07 2.63 -7.23 -1.26 -5.00 120.40 117.59 1y9o s VAL 9 Ca 0.18 -0.25 0.00 0.00 -1.81 0.00 0.00 61.98 60.11 1y9o s VAL 9 Cb -0.05 -3.29 0.00 0.00 0.56 0.00 0.00 36.38 33.60 1y9o s VAL 9 CO -0.20 0.39 0.00 0.49 -0.31 0.00 0.00 175.10 175.47 1y9o n PHE 10 N 1.25 -0.54 -2.44 2.82 3.72 -1.26 -5.01 117.46 115.99 1y9o n PHE 10 Ca -0.13 0.10 -0.41 0.00 -0.05 0.00 0.00 57.45 56.95 1y9o n PHE 10 Cb 0.53 0.39 -0.03 0.00 -0.94 0.00 0.00 39.48 39.43 1y9o n PHE 10 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 1y9o s GLU 11 N -2.00 3.23 0.34 -1.08 1.03 -1.26 -4.89 118.70 114.07 1y9o s GLU 11 Ca 0.00 0.19 0.02 0.00 0.03 0.00 0.00 54.97 55.21 1y9o s GLU 11 Cb 0.00 -4.15 0.62 0.00 -0.80 0.00 0.00 34.13 29.80 1y9o s GLU 11 CO 0.00 -2.05 1.98 0.52 -1.33 0.00 0.00 175.26 174.38 1y9o h MET 12 N 10.84 0.86 0.00 -4.83 2.86 -1.99 -3.46 114.93 119.22 1y9o h MET 12 Ca -0.27 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.23 1y9o h MET 12 Cb 1.08 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.52 1y9o h MET 12 CO 1.22 0.57 -0.08 1.47 1.06 0.00 0.00 176.91 181.15 1y9o n LEU 13 N -4.45 0.00 -4.33 1.22 -0.00 -1.26 -4.81 117.00 103.38 1y9o n LEU 13 Ca 0.09 -0.67 -0.18 0.00 -0.00 0.00 0.00 56.01 55.24 1y9o n LEU 13 Cb 0.10 0.43 -0.10 0.00 -0.00 0.00 0.00 43.42 43.85 1y9o n LEU 13 CO 0.35 -0.12 -0.44 -1.59 -0.00 0.00 0.00 177.39 175.59 1y9o s LYS 14 N -2.26 1.27 -0.51 1.47 0.00 -1.26 -4.11 119.74 114.35 1y9o s LYS 14 Ca 0.08 -1.53 -0.21 0.00 0.00 0.00 0.00 55.97 54.31 1y9o s LYS 14 Cb 0.00 -1.06 0.05 0.00 0.00 0.00 0.00 37.83 36.82 1y9o s LYS 14 CO 0.06 0.18 0.72 1.03 0.00 0.00 0.00 175.35 177.33 1y9o s ARG 15 N -3.52 3.21 -0.84 1.78 0.52 -0.42 -0.68 118.95 118.99 1y9o s ARG 15 Ca 0.20 -0.63 -0.23 0.00 -0.52 0.00 0.00 55.73 54.56 1y9o s ARG 15 Cb -0.01 -4.06 0.07 0.00 0.52 0.00 0.00 34.95 31.47 1y9o s ARG 15 CO 0.06 -1.26 1.20 0.00 0.02 0.00 0.00 175.30 175.32 1y9o s MET 16 N 3.03 3.38 -0.93 3.54 0.23 0.43 -0.64 119.30 128.34 1y9o s MET 16 Ca 0.21 -1.04 -0.19 0.00 -1.03 0.00 0.00 55.69 53.64 1y9o s MET 16 Cb -0.16 -4.70 0.13 0.00 -1.53 0.00 0.00 34.83 28.57 1y9o s MET 16 CO 0.15 -1.98 1.12 -0.47 -2.03 0.00 0.00 175.02 171.81 1y9o s TYR 17 N 4.28 3.14 -0.47 3.16 5.04 0.01 -1.98 117.35 130.53 1y9o s TYR 17 Ca 0.34 -1.42 -0.16 0.00 -2.44 0.00 0.00 57.07 53.40 1y9o s TYR 17 Cb -0.07 -4.27 0.07 0.00 0.35 0.00 0.00 41.96 38.04 1y9o s TYR 17 CO 0.01 -1.47 0.40 0.00 -1.34 0.00 0.00 175.55 173.14 1y9o s ALA 18 N 2.60 3.56 -0.63 3.97 0.00 -0.07 -0.77 121.76 130.42 1y9o s ALA 18 Ca 0.32 -2.10 -0.25 0.00 0.00 0.00 0.00 51.96 49.94 1y9o s ALA 18 Cb -0.05 -3.08 0.04 0.00 0.00 0.00 0.00 23.12 20.04 1y9o s ALA 18 CO -0.09 -1.73 1.07 1.03 0.00 0.00 0.00 175.76 176.03 1y9o s ARG 19 N 1.67 3.27 -0.43 0.00 1.81 -1.26 -0.74 118.95 123.27 1y9o s ARG 19 Ca 0.04 -0.32 -0.16 0.00 -1.72 0.00 0.00 55.73 53.57 1y9o s ARG 19 Cb -0.24 -4.12 0.03 0.00 -0.45 0.00 0.00 34.95 30.17 1y9o s ARG 19 CO 0.07 -1.76 0.38 0.08 -0.68 0.00 0.00 175.30 173.39 1y9o s VAL 20 N 4.56 5.18 -0.10 3.52 1.01 -0.64 -2.11 120.40 131.82 1y9o s VAL 20 Ca 0.31 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.64 1y9o s VAL 20 Cb -0.12 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1y9o s VAL 20 CO 0.17 -0.42 0.06 -0.31 0.00 0.00 0.00 175.10 174.60 1y9o s TYR 21 N 1.87 3.35 -5.00 5.22 2.02 -1.25 -3.02 117.35 120.56 1y9o s TYR 21 Ca 0.08 0.33 0.00 0.00 -0.37 0.00 0.00 57.07 57.11 1y9o s TYR 21 Cb -0.19 -1.86 0.00 0.00 -0.40 0.00 0.00 41.96 39.50 1y9o s TYR 21 CO 0.11 0.57 0.00 0.41 -1.57 0.00 0.00 175.55 175.07 1y9o n GLY 22 N 2.12 0.29 0.69 0.71 0.00 -1.07 -1.55 105.19 106.38 1y9o n GLY 22 Ca -0.19 -1.36 0.01 0.00 0.00 0.00 0.00 46.02 44.47 1y9o n GLY 22 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1y9o n LEU 23 N 0.00 1.67 -1.33 0.99 7.94 -0.19 -4.46 117.00 121.62 1y9o n LEU 23 Ca 0.00 -0.84 -0.01 0.00 -1.11 0.00 0.00 56.01 54.05 1y9o n LEU 23 Cb 0.00 -0.52 0.00 0.00 0.53 0.00 0.00 43.42 43.43 1y9o n LEU 23 CO 0.00 0.31 0.82 1.33 -1.11 0.00 0.00 177.39 178.74 1y9o n VAL 24 N 0.09 1.66 -3.20 1.96 0.24 -1.26 -4.53 118.33 113.29 1y9o n VAL 24 Ca 0.03 -0.38 -0.45 0.00 -2.04 0.00 0.00 64.34 61.51 1y9o n VAL 24 Cb 0.38 -1.28 -0.06 0.00 -1.47 0.00 0.00 33.84 31.41 1y9o n VAL 24 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1y9o s GLN 25 N -0.14 3.05 -1.33 7.34 2.00 -1.26 -4.38 119.66 124.94 1y9o s GLN 25 Ca 0.02 -1.27 -0.02 0.00 -2.00 0.00 0.00 55.36 52.10 1y9o s GLN 25 Cb 0.02 -4.21 0.01 0.00 0.80 0.00 0.00 33.01 29.63 1y9o s GLN 25 CO 0.00 -1.34 0.74 0.41 -0.50 0.00 0.00 175.29 174.59 1y9o n GLY 26 N 5.24 -0.32 2.71 2.59 0.00 -1.26 -4.99 105.19 109.17 1y9o n GLY 26 Ca -0.10 0.13 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 1y9o n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y9o s VAL 27 N -3.63 -0.28 0.00 1.61 0.11 -1.26 -5.02 120.40 111.94 1y9o s VAL 27 Ca 0.09 -0.95 0.00 0.00 -2.93 0.00 0.00 61.98 58.19 1y9o s VAL 27 Cb -0.04 -0.83 0.00 0.00 -1.53 0.00 0.00 36.38 33.98 1y9o s VAL 27 CO 0.81 -0.61 0.00 0.61 -3.33 0.00 0.00 175.10 172.58 1y9o n GLY 28 N 4.53 1.29 0.06 6.54 0.00 -1.26 -4.34 105.19 112.01 1y9o n GLY 28 Ca 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 1y9o n GLY 28 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1y9o n PHE 29 N 0.00 -0.06 0.22 1.61 7.35 -1.26 -0.97 117.46 124.35 1y9o n PHE 29 Ca 0.00 0.17 0.07 0.00 -0.76 0.00 0.00 57.45 56.93 1y9o n PHE 29 Cb 0.00 -0.32 0.59 0.00 0.35 0.00 0.00 39.48 40.10 1y9o n PHE 29 CO 0.00 0.00 0.00 0.07 -0.76 0.00 0.00 176.76 176.07 1y9o h ARG 30 N 0.00 0.07 0.14 -4.13 -0.00 -1.84 -0.58 114.38 108.04 1y9o h ARG 30 Ca 0.02 -0.01 -0.27 0.00 -0.00 0.00 0.00 59.98 59.73 1y9o h ARG 30 Cb 0.06 -0.01 0.03 0.00 -0.00 0.00 0.00 29.97 30.04 1y9o h ARG 30 CO -0.13 0.08 -1.14 -0.22 -0.00 0.00 0.00 179.97 178.56 1y9o h LYS 31 N 0.07 0.52 -0.33 0.08 3.11 -1.60 -3.20 116.57 115.23 1y9o h LYS 31 Ca 0.02 -0.75 0.06 0.00 -2.81 0.00 0.00 60.65 57.16 1y9o h LYS 31 Cb 0.05 0.26 -0.05 0.00 -1.00 0.00 0.00 32.23 31.49 1y9o h LYS 31 CO 0.00 1.34 0.01 0.35 -2.81 0.00 0.00 179.45 178.34 1y9o h PHE 32 N 0.08 -0.00 0.00 1.91 3.57 0.46 -0.27 116.94 122.68 1y9o h PHE 32 Ca -0.18 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.32 1y9o h PHE 32 Cb 1.85 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 40.64 1y9o h PHE 32 CO 0.14 -0.05 -0.12 -0.39 -2.23 0.00 0.00 178.31 175.66 1y9o h VAL 33 N 0.10 0.90 0.99 1.41 -1.51 -1.43 -2.86 116.25 113.85 1y9o h VAL 33 Ca 0.16 -0.43 -0.05 0.00 -1.23 0.00 0.00 66.70 65.15 1y9o h VAL 33 Cb 0.21 1.25 0.01 0.00 -2.13 0.00 0.00 31.29 30.63 1y9o h VAL 33 CO -0.26 0.12 -0.48 -0.61 -1.23 0.00 0.00 177.57 175.10 1y9o h GLN 34 N 0.00 -1.29 -0.49 5.19 5.75 -1.05 -1.35 115.11 121.86 1y9o h GLN 34 Ca -0.00 0.09 0.08 0.00 -0.15 0.00 0.00 58.65 58.67 1y9o h GLN 34 Cb 0.24 0.29 -0.10 0.00 1.07 0.00 0.00 27.48 28.98 1y9o h GLN 34 CO 0.02 -0.86 -0.39 0.82 -2.65 0.00 0.00 178.83 175.76 1y9o h ILE 35 N -1.34 0.14 -0.24 2.39 1.08 -1.18 0.56 117.51 118.92 1y9o h ILE 35 Ca -0.14 0.00 -0.13 0.00 -0.39 0.00 0.00 64.86 64.20 1y9o h ILE 35 Cb 1.03 0.14 -0.00 0.00 -3.07 0.00 0.00 36.82 34.92 1y9o h ILE 35 CO 0.22 0.00 -0.38 0.45 -0.69 0.00 0.00 178.15 177.75 1y9o h HIS 36 N -0.25 0.84 -0.45 1.37 3.86 -1.60 0.52 115.15 119.43 1y9o h HIS 36 Ca 0.18 -0.29 0.09 0.00 -1.16 0.00 0.00 60.37 59.19 1y9o h HIS 36 Cb 0.56 -0.16 -0.09 0.00 1.06 0.00 0.00 27.41 28.79 1y9o h HIS 36 CO -0.64 1.05 -0.11 0.00 0.86 0.00 0.00 177.93 179.09 1y9o h ALA 37 N 0.64 0.30 -0.21 2.45 0.00 -0.77 0.62 119.26 122.29 1y9o h ALA 37 Ca 0.02 0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 1y9o h ALA 37 Cb 0.97 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1y9o h ALA 37 CO 0.09 -0.45 -0.53 0.82 0.00 0.00 0.00 179.25 179.18 1y9o h ILE 38 N -0.00 1.31 -0.39 0.00 5.03 -0.78 1.00 117.51 123.67 1y9o h ILE 38 Ca 0.22 -1.75 -0.04 0.00 -0.12 0.00 0.00 64.86 63.16 1y9o h ILE 38 Cb 0.33 1.71 -0.02 0.00 -3.03 0.00 0.00 36.82 35.81 1y9o h ILE 38 CO -0.46 0.55 0.08 -0.09 -0.68 0.00 0.00 178.15 177.55 1y9o h ARG 39 N 0.48 0.64 0.00 2.37 1.12 -0.56 -3.32 114.38 115.11 1y9o h ARG 39 Ca 0.01 -0.16 0.00 0.00 -1.11 0.00 0.00 59.98 58.72 1y9o h ARG 39 Cb 1.07 -0.08 0.00 0.00 -0.01 0.00 0.00 29.97 30.95 1y9o h ARG 39 CO 0.10 0.67 -0.93 1.28 -3.11 0.00 0.00 179.97 177.99 1y9o n LEU 40 N -4.55 0.71 -0.83 3.80 4.77 0.18 -5.00 117.00 116.07 1y9o n LEU 40 Ca -0.01 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1y9o n LEU 40 Cb 0.21 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1y9o n LEU 40 CO 0.39 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1y9o n GLY 41 N 1.28 0.46 3.34 -0.72 0.00 0.13 -4.81 105.19 104.87 1y9o n GLY 41 Ca 0.01 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 1y9o n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y9o s ILE 42 N -2.56 2.27 0.26 -0.61 -1.09 0.02 -4.96 121.20 114.54 1y9o s ILE 42 Ca 0.00 -1.02 0.09 0.00 -2.23 0.00 0.00 60.65 57.49 1y9o s ILE 42 Cb 0.00 -1.81 -0.04 0.00 -1.58 0.00 0.00 42.46 39.03 1y9o s ILE 42 CO 0.00 0.58 0.03 -0.54 -1.23 0.00 0.00 174.94 173.79 1y9o s LYS 43 N -0.60 2.41 0.00 2.79 -0.14 -1.25 -4.07 119.74 118.88 1y9o s LYS 43 Ca 0.09 -1.35 0.00 0.00 -1.36 0.00 0.00 55.97 53.35 1y9o s LYS 43 Cb -0.10 -2.23 0.00 0.00 -1.68 0.00 0.00 37.83 33.81 1y9o s LYS 43 CO -0.00 0.37 0.00 0.41 -0.76 0.00 0.00 175.35 175.37 1y9o n GLY 44 N -0.95 0.25 3.64 -3.33 0.00 -1.26 -0.70 105.19 102.83 1y9o n GLY 44 Ca -0.07 -0.84 -0.06 0.00 0.00 0.00 0.00 46.02 45.06 1y9o n GLY 44 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1y9o s TYR 45 N -1.27 -0.26 -1.05 1.61 5.04 0.18 -3.94 117.35 117.66 1y9o s TYR 45 Ca 0.00 0.62 -0.10 0.00 -2.44 0.00 0.00 57.07 55.15 1y9o s TYR 45 Cb 0.00 0.43 0.26 0.00 0.35 0.00 0.00 41.96 43.00 1y9o s TYR 45 CO 0.00 -0.14 1.04 0.00 -1.34 0.00 0.00 175.55 175.11 1y9o s ALA 46 N -0.00 4.58 -0.92 3.97 0.00 -0.20 -2.02 121.76 127.17 1y9o s ALA 46 Ca 0.05 -3.72 -0.17 0.00 0.00 0.00 0.00 51.96 48.12 1y9o s ALA 46 Cb -0.05 -3.57 0.16 0.00 0.00 0.00 0.00 23.12 19.66 1y9o s ALA 46 CO -0.10 -2.23 1.05 0.21 0.00 0.00 0.00 175.76 174.69 1y9o s LYS 47 N -0.88 3.63 -1.42 0.00 2.20 -0.16 -1.31 119.74 121.79 1y9o s LYS 47 Ca 0.28 -1.98 -0.15 0.00 -0.36 0.00 0.00 55.97 53.76 1y9o s LYS 47 Cb -0.10 -4.80 0.05 0.00 -1.51 0.00 0.00 37.83 31.47 1y9o s LYS 47 CO -0.08 -1.65 2.10 -1.71 -0.36 0.00 0.00 175.35 173.65 1y9o n ASN 48 N 5.83 4.16 -4.65 1.43 2.85 -1.26 -2.96 115.26 120.67 1y9o n ASN 48 Ca 0.22 -2.86 -0.42 0.00 -0.11 0.00 0.00 54.58 51.40 1y9o n ASN 48 Cb 0.48 -1.68 -0.03 0.00 1.24 0.00 0.00 39.78 39.80 1y9o n ASN 48 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1y9o s LEU 49 N 2.68 4.19 -1.13 1.20 1.02 -1.26 -4.86 118.68 120.51 1y9o s LEU 49 Ca 0.49 2.10 -0.21 0.00 0.02 0.00 0.00 54.13 56.53 1y9o s LEU 49 Cb 0.11 -3.53 -0.06 0.00 0.02 0.00 0.00 46.19 42.73 1y9o s LEU 49 CO -0.05 -1.05 1.91 -0.81 0.02 0.00 0.00 176.35 176.38 1y9o n PRO 50 N 7.33 1.99 -0.83 1.29 -0.04 -1.26 -4.15 135.00 139.33 1y9o n PRO 50 Ca 0.18 -2.50 -0.05 0.00 -0.04 0.00 0.00 63.50 61.10 1y9o n PRO 50 Cb 0.43 -3.46 -0.05 0.00 -0.04 0.00 0.00 33.50 30.38 1y9o n PRO 50 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1y9o n ASP 51 N 10.98 -0.69 0.00 3.54 5.68 -1.26 -5.02 116.55 129.78 1y9o n ASP 51 Ca 0.47 -1.51 0.00 0.00 -0.50 0.00 0.00 54.79 53.26 1y9o n ASP 51 Cb 0.44 0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.63 1y9o n ASP 51 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1y9o n GLY 52 N 0.00 1.42 3.38 6.12 0.00 -1.26 -4.89 105.19 109.97 1y9o n GLY 52 Ca -0.19 -0.12 -0.45 0.00 0.00 0.00 0.00 46.02 45.25 1y9o n GLY 52 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1y9o s SER 53 N 0.00 6.89 -0.14 1.61 0.01 -1.26 -2.60 113.70 118.21 1y9o s SER 53 Ca 0.00 -2.74 -0.24 0.00 1.31 0.00 0.00 55.95 54.28 1y9o s SER 53 Cb 0.00 -2.29 -0.03 0.00 0.21 0.00 0.00 66.02 63.92 1y9o s SER 53 CO 0.00 -0.67 0.74 0.54 0.41 0.00 0.00 173.24 174.26 1y9o s VAL 54 N 0.76 4.97 -0.05 3.43 0.11 -1.17 -4.50 120.40 123.96 1y9o s VAL 54 Ca 0.28 1.46 -0.16 0.00 -2.93 0.00 0.00 61.98 60.63 1y9o s VAL 54 Cb -0.08 -4.06 -0.05 0.00 -1.53 0.00 0.00 36.38 30.66 1y9o s VAL 54 CO -0.08 0.13 0.44 -1.83 -3.33 0.00 0.00 175.10 170.43 1y9o s GLU 55 N 1.59 4.13 -0.54 1.54 -1.05 -1.15 -1.62 118.70 121.60 1y9o s GLU 55 Ca 0.36 0.43 -0.03 0.00 -0.15 0.00 0.00 54.97 55.58 1y9o s GLU 55 Cb -0.17 -3.32 0.14 0.00 -0.44 0.00 0.00 34.13 30.34 1y9o s GLU 55 CO 0.14 0.45 0.35 0.08 0.95 0.00 0.00 175.26 177.23 1y9o s VAL 56 N -0.30 3.60 -0.02 1.83 1.01 0.08 -0.99 120.40 125.59 1y9o s VAL 56 Ca 0.24 -2.56 -0.30 0.00 0.00 0.00 0.00 61.98 59.37 1y9o s VAL 56 Cb -0.16 -3.39 -0.06 0.00 0.00 0.00 0.00 36.38 32.77 1y9o s VAL 56 CO 0.12 -0.80 1.59 -0.69 0.00 0.00 0.00 175.10 175.32 1y9o s VAL 57 N 0.47 3.52 0.03 2.92 1.01 -0.86 -0.90 120.40 126.60 1y9o s VAL 57 Ca 0.13 0.77 -0.12 0.00 0.00 0.00 0.00 61.98 62.76 1y9o s VAL 57 Cb -0.21 -3.49 0.01 0.00 0.00 0.00 0.00 36.38 32.69 1y9o s VAL 57 CO -0.04 -0.04 0.25 0.00 0.00 0.00 0.00 175.10 175.28 1y9o s ALA 58 N 3.41 -0.55 -0.19 5.51 0.00 -0.84 -0.64 121.76 128.46 1y9o s ALA 58 Ca 0.71 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.60 1y9o s ALA 58 Cb -0.34 0.27 0.05 0.00 0.00 0.00 0.00 23.12 23.09 1y9o s ALA 58 CO 0.29 -0.36 -0.06 -1.21 0.00 0.00 0.00 175.76 174.41 1y9o s GLU 59 N -2.35 1.60 0.00 0.00 2.02 0.12 -0.43 118.70 119.66 1y9o s GLU 59 Ca -0.07 -0.71 0.00 0.00 0.02 0.00 0.00 54.97 54.22 1y9o s GLU 59 Cb -0.02 -2.26 0.00 0.00 0.10 0.00 0.00 34.13 31.96 1y9o s GLU 59 CO -0.02 -0.48 0.00 0.41 0.02 0.00 0.00 175.26 175.19 1y9o n GLY 60 N 4.79 -1.70 0.00 -1.39 0.00 0.15 -3.89 105.19 103.14 1y9o n GLY 60 Ca -0.13 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1y9o n GLY 60 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1y9o n TYR 61 N 0.00 0.00 0.13 1.61 4.01 -1.26 -4.58 117.16 117.07 1y9o n TYR 61 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1y9o n TYR 61 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1y9o n TYR 61 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1y9o n GLU 62 N 0.00 0.00 -0.03 -0.72 0.00 -1.26 -4.52 120.64 114.11 1y9o n GLU 62 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.07 1y9o n GLU 62 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.36 1y9o n GLU 62 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1y9o h GLU 63 N 0.00 -0.05 0.00 5.31 5.08 -2.00 -3.20 114.58 119.72 1y9o h GLU 63 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1y9o h GLU 63 Cb 0.00 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1y9o h GLU 63 CO 0.00 0.52 -0.05 0.00 -1.00 0.00 0.00 179.01 178.48 1y9o h ALA 64 N -0.35 1.55 -0.70 3.43 0.00 -1.92 -1.86 119.26 119.41 1y9o h ALA 64 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1y9o h ALA 64 Cb 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1y9o h ALA 64 CO 0.01 0.06 0.00 -0.11 0.00 0.00 0.00 179.25 179.21 1y9o n LEU 65 N -3.94 0.00 -0.13 0.00 7.94 -1.24 -1.81 117.00 117.83 1y9o n LEU 65 Ca -0.03 0.88 -0.05 0.00 -1.11 0.00 0.00 56.01 55.71 1y9o n LEU 65 Cb 0.14 -0.38 0.03 0.00 0.53 0.00 0.00 43.42 43.74 1y9o n LEU 65 CO 0.30 -0.38 0.93 0.28 -1.11 0.00 0.00 177.39 177.41 1y9o h SER 66 N 0.00 0.09 -0.94 1.96 0.02 -1.52 0.38 113.55 113.55 1y9o h SER 66 Ca 0.00 0.06 0.12 0.00 -0.84 0.00 0.00 61.79 61.13 1y9o h SER 66 Cb 0.00 0.06 -0.08 0.00 0.14 0.00 0.00 62.40 62.52 1y9o h SER 66 CO 0.00 0.09 0.56 0.11 -1.14 0.00 0.00 176.83 176.45 1y9o h LYS 67 N 0.27 0.85 0.09 3.45 6.56 -1.38 0.12 116.57 126.52 1y9o h LYS 67 Ca 0.20 -0.05 -0.12 0.00 -1.06 0.00 0.00 60.65 59.61 1y9o h LYS 67 Cb 0.21 -0.19 0.01 0.00 -0.57 0.00 0.00 32.23 31.69 1y9o h LYS 67 CO -0.23 0.56 -0.54 1.25 -2.06 0.00 0.00 179.45 178.44 1y9o h LEU 68 N 0.88 0.32 0.18 2.94 7.12 -0.82 -3.01 115.31 122.91 1y9o h LEU 68 Ca 0.47 -0.96 0.00 0.00 0.13 0.00 0.00 57.88 57.53 1y9o h LEU 68 Cb 0.50 -0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 40.49 1y9o h LEU 68 CO -0.28 1.26 -0.43 -0.07 -0.13 0.00 0.00 178.44 178.79 1y9o h LEU 69 N -0.56 -1.26 -0.72 2.25 -0.00 -0.60 -2.24 115.31 112.17 1y9o h LEU 69 Ca -0.09 0.13 0.09 0.00 -0.00 0.00 0.00 57.88 58.00 1y9o h LEU 69 Cb 1.42 0.45 -0.07 0.00 -0.00 0.00 0.00 40.66 42.46 1y9o h LEU 69 CO 0.10 -0.48 0.37 -0.33 -0.00 0.00 0.00 178.44 178.11 1y9o h GLU 70 N -0.67 0.62 -0.81 1.13 5.08 -1.14 0.94 114.58 119.74 1y9o h GLU 70 Ca -0.02 -0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.42 1y9o h GLU 70 Cb 0.64 -0.14 -0.13 0.00 0.50 0.00 0.00 28.75 29.62 1y9o h GLU 70 CO -0.19 0.41 -0.44 -0.09 -1.00 0.00 0.00 179.01 177.70 1y9o h ARG 71 N 0.64 -0.09 0.27 2.33 9.65 -1.37 -0.84 114.38 124.97 1y9o h ARG 71 Ca 0.35 0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 59.22 1y9o h ARG 71 Cb 0.34 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.95 1y9o h ARG 71 CO -0.25 -0.06 -0.13 0.82 2.80 0.00 0.00 179.97 183.14 1y9o h ILE 72 N -0.10 0.77 -0.38 1.20 2.04 -0.24 -1.35 117.51 119.47 1y9o h ILE 72 Ca 0.24 -0.57 0.07 0.00 1.00 0.00 0.00 64.86 65.60 1y9o h ILE 72 Cb 0.55 1.08 -0.07 0.00 -0.74 0.00 0.00 36.82 37.64 1y9o h ILE 72 CO -0.84 0.12 -0.07 0.11 0.00 0.00 0.00 178.15 177.47 1y9o h LYS 73 N -0.67 0.03 -2.12 2.37 6.56 -1.18 -1.66 116.57 119.90 1y9o h LYS 73 Ca -0.04 -0.00 -0.79 0.00 -1.06 0.00 0.00 60.65 58.76 1y9o h LYS 73 Cb 0.47 -0.01 -0.27 0.00 -0.57 0.00 0.00 32.23 31.85 1y9o h LYS 73 CO 0.06 0.02 1.04 0.94 -2.06 0.00 0.00 179.45 179.45 1y9o n GLN 74 N -5.26 4.10 -2.88 3.15 7.27 -0.33 -4.69 117.38 118.74 1y9o n GLN 74 Ca 0.02 -4.10 -0.10 0.00 0.07 0.00 0.00 57.00 52.88 1y9o n GLN 74 Cb 0.21 -2.37 0.00 0.00 2.41 0.00 0.00 30.24 30.49 1y9o n GLN 74 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1y9o n GLY 75 N -0.30 0.30 3.72 1.69 0.00 -0.51 -4.78 105.19 105.31 1y9o n GLY 75 Ca 0.50 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 46.04 1y9o n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1y9o s PRO 76 N 0.52 4.23 1.02 1.61 0.04 -1.26 -4.82 135.00 136.34 1y9o s PRO 76 Ca 0.32 2.31 -0.17 0.00 0.04 0.00 0.00 61.00 63.49 1y9o s PRO 76 Cb 0.10 -3.19 0.23 0.00 0.04 0.00 0.00 34.50 31.68 1y9o s PRO 76 CO -0.14 -0.58 1.32 -1.25 0.04 0.00 0.00 177.00 176.38 1y9o s PRO 77 N 1.20 0.14 -0.00 0.56 0.04 -1.26 -4.92 135.00 130.75 1y9o s PRO 77 Ca 0.69 -0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.28 1y9o s PRO 77 Cb -0.42 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1y9o s PRO 77 CO 0.31 -2.74 1.66 0.00 0.04 0.00 0.00 177.00 176.26 1y9o n ALA 78 N -3.99 3.50 -3.37 8.56 0.00 -1.26 -4.81 120.51 119.14 1y9o n ALA 78 Ca 0.16 -0.02 -0.11 0.00 0.00 0.00 0.00 53.44 53.48 1y9o n ALA 78 Cb 0.59 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.01 1y9o n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y9o s ALA 79 N -0.02 -1.30 -1.04 0.00 0.00 -1.26 -4.84 121.76 113.30 1y9o s ALA 79 Ca 0.00 0.16 -0.23 0.00 0.00 0.00 0.00 51.96 51.89 1y9o s ALA 79 Cb 0.00 0.84 0.02 0.00 0.00 0.00 0.00 23.12 23.98 1y9o s ALA 79 CO 0.00 -0.78 1.65 -1.21 0.00 0.00 0.00 175.76 175.41 1y9o s GLU 80 N -3.80 3.31 -1.14 0.00 2.02 -1.26 -4.87 118.70 112.96 1y9o s GLU 80 Ca 0.04 -1.04 -0.22 0.00 0.02 0.00 0.00 54.97 53.77 1y9o s GLU 80 Cb -0.01 -5.30 -0.09 0.00 0.10 0.00 0.00 34.13 28.83 1y9o s GLU 80 CO -0.09 -2.63 1.92 1.55 0.02 0.00 0.00 175.26 176.03 1y9o n VAL 81 N 7.13 2.07 -0.33 2.63 3.14 -1.26 -1.02 118.33 130.69 1y9o n VAL 81 Ca 0.38 -2.11 -0.11 0.00 -2.96 0.00 0.00 64.34 59.54 1y9o n VAL 81 Cb 0.49 -2.21 -0.09 0.00 -1.06 0.00 0.00 33.84 30.98 1y9o n VAL 81 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 1y9o h GLU 82 N 9.25 -0.11 -0.87 1.45 4.57 -1.63 -3.40 114.58 123.85 1y9o h GLU 82 Ca 0.27 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.42 1y9o h GLU 82 Cb 0.89 0.03 -0.19 0.00 -0.16 0.00 0.00 28.75 29.32 1y9o h GLU 82 CO 1.35 -0.07 -0.39 -1.59 -1.18 0.00 0.00 179.01 177.12 1y9o s LYS 83 N -5.59 0.72 -0.82 1.92 -2.85 -0.82 -5.00 119.74 107.31 1y9o s LYS 83 Ca -0.13 -0.24 -0.25 0.00 -1.00 0.00 0.00 55.97 54.35 1y9o s LYS 83 Cb 0.11 0.08 -0.06 0.00 -2.06 0.00 0.00 37.83 35.91 1y9o s LYS 83 CO 0.63 -1.04 2.02 0.54 0.10 0.00 0.00 175.35 177.61 1y9o s VAL 84 N 1.84 3.34 -1.13 1.79 0.11 -1.26 -3.74 120.40 121.36 1y9o s VAL 84 Ca 0.16 -0.20 -0.09 0.00 -2.93 0.00 0.00 61.98 58.92 1y9o s VAL 84 Cb -0.03 -3.80 0.27 0.00 -1.53 0.00 0.00 36.38 31.29 1y9o s VAL 84 CO -0.08 -0.75 1.22 -0.67 -3.33 0.00 0.00 175.10 171.48 1y9o n ASP 85 N 14.59 5.58 -4.77 3.54 2.03 -0.89 -4.97 116.55 131.64 1y9o n ASP 85 Ca 0.38 -3.07 -0.30 0.00 0.52 0.00 0.00 54.79 52.31 1y9o n ASP 85 Cb 0.48 -1.40 0.11 0.00 -0.72 0.00 0.00 41.12 39.59 1y9o n ASP 85 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1y9o s TYR 86 N -1.02 2.62 -0.09 -0.67 1.13 -1.26 -4.01 117.35 114.05 1y9o s TYR 86 Ca 0.33 1.19 -0.01 0.00 -1.41 0.00 0.00 57.07 57.16 1y9o s TYR 86 Cb -0.07 -3.14 0.03 0.00 -1.10 0.00 0.00 41.96 37.68 1y9o s TYR 86 CO -0.05 -2.03 -0.01 -1.12 -2.51 0.00 0.00 175.55 169.83 1y9o s SER 87 N -3.71 1.81 -0.13 -0.18 0.01 0.05 -4.89 113.70 106.66 1y9o s SER 87 Ca 0.62 -0.19 -0.29 0.00 1.31 0.00 0.00 55.95 57.40 1y9o s SER 87 Cb -0.16 -0.54 -0.01 0.00 0.21 0.00 0.00 66.02 65.53 1y9o s SER 87 CO 0.55 -0.19 1.01 0.12 0.41 0.00 0.00 173.24 175.15 1y9o s PHE 88 N 1.91 3.48 0.32 2.43 2.19 -1.26 -0.81 117.98 126.23 1y9o s PHE 88 Ca 0.05 1.56 0.04 0.00 0.33 0.00 0.00 56.93 58.91 1y9o s PHE 88 Cb -0.13 -3.20 -0.03 0.00 -1.31 0.00 0.00 43.02 38.35 1y9o s PHE 88 CO -0.06 -0.27 0.20 -1.12 1.83 0.00 0.00 175.22 175.80 1y9o s SER 89 N 1.12 1.66 0.23 6.13 0.01 0.19 -4.96 113.70 118.07 1y9o s SER 89 Ca 0.47 -1.64 -0.03 0.00 1.31 0.00 0.00 55.95 56.06 1y9o s SER 89 Cb -0.18 0.47 -0.05 0.00 0.21 0.00 0.00 66.02 66.48 1y9o s SER 89 CO 0.16 -0.96 0.46 -0.70 0.41 0.00 0.00 173.24 172.60 1y9o s GLU 90 N -3.69 3.59 -0.67 12.44 2.56 -1.26 -1.30 118.70 130.37 1y9o s GLU 90 Ca 0.36 -0.14 -0.34 0.00 0.00 0.00 0.00 54.97 54.86 1y9o s GLU 90 Cb 0.04 -2.76 -0.17 0.00 2.00 0.00 0.00 34.13 33.24 1y9o s GLU 90 CO 0.20 0.34 2.43 0.98 -0.56 0.00 0.00 175.26 178.65 1y9o n TYR 91 N -0.61 1.05 -0.10 5.30 9.36 -1.26 -4.06 117.16 126.84 1y9o n TYR 91 Ca -0.03 0.40 -0.15 0.00 3.32 0.00 0.00 57.90 61.44 1y9o n TYR 91 Cb 0.53 -2.44 -0.06 0.00 -0.63 0.00 0.00 39.34 36.74 1y9o n TYR 91 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1y9o n LYS 92 N 8.31 0.52 -3.59 2.98 3.00 -1.26 -5.00 118.16 123.12 1y9o n LYS 92 Ca 0.54 0.46 -0.16 0.00 -0.00 0.00 0.00 58.31 59.15 1y9o n LYS 92 Cb 0.14 -1.65 -0.07 0.00 0.00 0.00 0.00 35.03 33.46 1y9o n LYS 92 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1y9o s GLY 93 N -4.73 -0.50 -0.50 3.14 0.00 -1.26 -5.14 107.32 98.33 1y9o s GLY 93 Ca -0.25 1.40 -0.22 0.00 0.00 0.00 0.00 44.72 45.65 1y9o s GLY 93 CO 0.42 1.10 0.76 -1.83 0.00 0.00 0.00 173.10 173.55 1y9o s GLU 94 N -0.65 3.27 1.04 2.90 -1.05 -1.26 -5.05 118.70 117.90 1y9o s GLU 94 Ca -0.07 -0.44 -0.13 0.00 -0.15 0.00 0.00 54.97 54.18 1y9o s GLU 94 Cb -0.02 -4.03 0.21 0.00 -0.44 0.00 0.00 34.13 29.85 1y9o s GLU 94 CO 0.06 -1.25 1.08 -0.06 0.95 0.00 0.00 175.26 176.04 1y9o s PHE 95 N 3.23 1.94 -0.37 4.83 0.40 -1.26 -5.04 117.98 121.71 1y9o s PHE 95 Ca 0.24 1.02 0.12 0.00 -0.60 0.00 0.00 56.93 57.71 1y9o s PHE 95 Cb -0.15 -3.23 0.41 0.00 0.51 0.00 0.00 43.02 40.56 1y9o s PHE 95 CO 0.18 -3.12 1.23 -0.85 0.70 0.00 0.00 175.22 173.36 1y9o n GLU 96 N -4.35 1.20 0.00 0.44 0.28 -1.26 -4.81 120.64 112.14 1y9o n GLU 96 Ca 0.05 -2.27 0.00 0.00 -0.16 0.00 0.00 57.16 54.78 1y9o n GLU 96 Cb 0.57 -0.42 0.00 0.00 1.43 0.00 0.00 31.44 33.01 1y9o n GLU 96 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1y9o n ASP 97 N -0.46 0.00 -4.51 -1.84 4.64 -1.26 -5.05 116.55 108.06 1y9o n ASP 97 Ca 0.00 0.00 -0.42 0.00 -1.38 0.00 0.00 54.79 52.99 1y9o n ASP 97 Cb 0.84 0.00 -0.03 0.00 -1.04 0.00 0.00 41.12 40.89 1y9o n ASP 97 CO 0.00 0.00 0.00 0.12 -0.82 0.00 0.00 177.20 176.50 1y9o s PHE 98 N 0.00 2.73 0.32 -0.67 5.36 -1.25 -4.01 117.98 120.45 1y9o s PHE 98 Ca 0.00 -0.95 0.10 0.00 -0.96 0.00 0.00 56.93 55.12 1y9o s PHE 98 Cb 0.00 -4.52 -0.05 0.00 -0.34 0.00 0.00 43.02 38.11 1y9o s PHE 98 CO 0.00 -1.77 -0.07 -2.00 -1.46 0.00 0.00 175.22 169.91 1y9o s GLU 99 N 4.17 1.94 -0.07 10.12 2.12 -1.26 -4.88 118.70 130.83 1y9o s GLU 99 Ca 0.39 -1.76 -0.11 0.00 0.36 0.00 0.00 54.97 53.85 1y9o s GLU 99 Cb -0.03 -1.86 -0.05 0.00 0.26 0.00 0.00 34.13 32.44 1y9o s GLU 99 CO -0.07 0.22 0.28 0.95 -0.54 0.00 0.00 175.26 176.10 1y9o s THR 100 N -2.51 5.27 -2.06 -1.70 -4.23 -1.26 -1.04 115.64 108.11 1y9o s THR 100 Ca 0.32 0.53 0.32 0.00 -1.18 0.00 0.00 61.69 61.68 1y9o s THR 100 Cb -0.02 -3.57 0.87 0.00 1.34 0.00 0.00 72.50 71.12 1y9o s THR 100 CO 0.18 0.57 2.18 0.00 -0.54 0.00 0.00 174.62 177.00