#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 -0.51 -2.82 1.61 7.64 -1.26 -5.01 113.62 113.27 1y9o n SER 0 Ca 0.00 -2.96 -0.29 0.00 1.01 0.00 0.00 58.87 56.63 1y9o n SER 0 Cb 0.00 0.46 -0.07 0.00 -1.01 0.00 0.00 64.21 63.59 1y9o n SER 0 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1y9o n MET 1 N -0.02 3.19 -3.79 1.43 0.00 -1.26 -4.89 117.12 111.77 1y9o n MET 1 Ca 0.09 -2.26 -0.37 0.00 0.00 0.00 0.00 57.70 55.15 1y9o n MET 1 Cb 0.76 -2.39 -0.06 0.00 0.00 0.00 0.00 33.22 31.53 1y9o n MET 1 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 1y9o s LYS 2 N 0.04 3.55 -0.41 0.03 -2.85 -1.26 -5.03 119.74 113.81 1y9o s LYS 2 Ca 0.62 -0.01 0.04 0.00 -1.00 0.00 0.00 55.97 55.62 1y9o s LYS 2 Cb 0.27 -3.19 0.29 0.00 -2.06 0.00 0.00 37.83 33.13 1y9o s LYS 2 CO -0.10 0.76 1.15 0.36 0.10 0.00 0.00 175.35 177.62 1y9o n LYS 3 N 1.92 0.57 -1.46 1.78 2.85 -1.26 -5.06 118.16 117.50 1y9o n LYS 3 Ca -0.18 -1.35 -0.32 0.00 -1.05 0.00 0.00 58.31 55.41 1y9o n LYS 3 Cb 0.54 -0.79 -0.06 0.00 -0.65 0.00 0.00 35.03 34.08 1y9o n LYS 3 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 1y9o n TRP 4 N 0.97 1.82 -3.96 5.58 8.01 -1.26 -4.82 117.44 123.78 1y9o n TRP 4 Ca 0.03 -2.50 -0.16 0.00 -1.31 0.00 0.00 57.50 53.57 1y9o n TRP 4 Cb 0.70 -1.94 -0.15 0.00 -2.01 0.00 0.00 31.31 27.90 1y9o n TRP 4 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.69 175.56 1y9o s SER 5 N 1.35 0.36 0.31 -0.99 0.01 -1.26 -5.07 113.70 108.40 1y9o s SER 5 Ca 0.63 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.86 1y9o s SER 5 Cb 0.24 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.34 1y9o s SER 5 CO -0.08 -0.04 0.00 -0.67 0.41 0.00 0.00 173.24 172.85 1y9o n ASP 6 N 3.65 -7.35 0.00 2.44 2.03 -1.26 -4.86 116.55 111.20 1y9o n ASP 6 Ca -0.21 0.57 0.00 0.00 0.52 0.00 0.00 54.79 55.67 1y9o n ASP 6 Cb 0.54 -3.79 0.00 0.00 -0.72 0.00 0.00 41.12 37.15 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 -3.83 0.00 -0.20 5.18 -1.04 -1.26 -4.92 114.28 108.21 1y9o n THR 7 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1y9o n THR 7 Cb 0.57 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.08 1y9o n THR 7 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1y9o n GLU 8 N 0.00 -1.07 -2.26 -2.82 -0.58 -1.26 -4.99 120.64 107.67 1y9o n GLU 8 Ca 0.00 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.33 1y9o n GLU 8 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 1y9o n GLU 8 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1y9o s VAL 9 N -0.82 3.17 0.00 2.62 1.01 -1.26 -4.73 120.40 120.39 1y9o s VAL 9 Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 61.98 63.04 1y9o s VAL 9 Cb 0.00 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1y9o s VAL 9 CO 0.00 0.20 0.00 2.22 0.00 0.00 0.00 175.10 177.52 1y9o n PHE 10 N 1.87 -0.30 -1.62 5.22 1.16 -1.26 -5.04 117.46 117.50 1y9o n PHE 10 Ca 0.03 0.00 -0.50 0.00 -1.87 0.00 0.00 57.45 55.11 1y9o n PHE 10 Cb 0.43 0.06 -0.05 0.00 -1.61 0.00 0.00 39.48 38.31 1y9o n PHE 10 CO 0.00 0.00 0.00 -0.85 -1.87 0.00 0.00 176.76 174.04 1y9o n GLU 11 N -1.29 1.51 -3.97 3.97 0.00 -1.26 -5.01 120.64 114.58 1y9o n GLU 11 Ca 0.00 0.55 -0.09 0.00 0.00 0.00 0.00 57.16 57.61 1y9o n GLU 11 Cb 0.00 -2.23 -0.08 0.00 0.00 0.00 0.00 31.44 29.13 1y9o n GLU 11 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.13 175.49 1y9o s MET 12 N 0.59 0.98 0.17 3.44 -1.94 -1.26 -5.14 119.30 116.15 1y9o s MET 12 Ca 0.82 -1.16 0.00 0.00 -1.71 0.00 0.00 55.69 53.64 1y9o s MET 12 Cb -0.85 0.33 0.00 0.00 2.01 0.00 0.00 34.83 36.32 1y9o s MET 12 CO 0.44 -0.32 0.00 1.47 -0.01 0.00 0.00 175.02 176.59 1y9o n LEU 13 N -0.12 -2.70 -4.43 -0.03 -0.00 -1.26 -5.04 117.00 103.41 1y9o n LEU 13 Ca -0.10 1.20 -0.21 0.00 -0.00 0.00 0.00 56.01 56.89 1y9o n LEU 13 Cb 0.63 -0.54 -0.10 0.00 -0.00 0.00 0.00 43.42 43.41 1y9o n LEU 13 CO 0.25 -0.06 -0.35 -1.59 -0.00 0.00 0.00 177.39 175.64 1y9o s LYS 14 N -4.11 1.57 -0.24 1.47 0.00 -0.21 -4.41 119.74 113.81 1y9o s LYS 14 Ca 0.00 -1.80 -0.13 0.00 0.00 0.00 0.00 55.97 54.04 1y9o s LYS 14 Cb 0.00 -1.14 -0.04 0.00 0.00 0.00 0.00 37.83 36.65 1y9o s LYS 14 CO 0.00 0.01 0.27 -0.98 0.00 0.00 0.00 175.35 174.66 1y9o s ARG 15 N -3.74 4.08 0.68 1.78 1.70 -1.23 -1.40 118.95 120.82 1y9o s ARG 15 Ca 0.30 -0.08 -0.15 0.00 -0.47 0.00 0.00 55.73 55.33 1y9o s ARG 15 Cb 0.04 -3.57 0.01 0.00 -0.57 0.00 0.00 34.95 30.86 1y9o s ARG 15 CO 0.12 -0.05 1.13 1.41 -1.08 0.00 0.00 175.30 176.84 1y9o s MET 16 N 1.37 2.63 -0.28 3.89 -2.45 0.43 -1.55 119.30 123.34 1y9o s MET 16 Ca 0.12 1.48 0.00 0.00 -1.25 0.00 0.00 55.69 56.05 1y9o s MET 16 Cb -0.14 -1.92 0.17 0.00 1.25 0.00 0.00 34.83 34.19 1y9o s MET 16 CO 0.07 -1.40 0.52 -0.47 1.05 0.00 0.00 175.02 174.79 1y9o s TYR 17 N -2.25 -1.38 -0.22 4.11 5.04 -1.25 -2.29 117.35 119.11 1y9o s TYR 17 Ca 0.69 1.20 -0.00 0.00 -2.44 0.00 0.00 57.07 56.52 1y9o s TYR 17 Cb -0.23 0.29 0.02 0.00 0.35 0.00 0.00 41.96 42.40 1y9o s TYR 17 CO 0.42 -0.89 -0.12 0.00 -1.34 0.00 0.00 175.55 173.62 1y9o s ALA 18 N 2.74 2.55 -0.77 3.97 0.00 -0.08 -0.82 121.76 129.34 1y9o s ALA 18 Ca 0.15 -1.37 -0.17 0.00 0.00 0.00 0.00 51.96 50.57 1y9o s ALA 18 Cb -0.14 -1.48 0.15 0.00 0.00 0.00 0.00 23.12 21.65 1y9o s ALA 18 CO -0.22 -0.64 0.86 0.50 0.00 0.00 0.00 175.76 176.26 1y9o s ARG 19 N 1.30 3.39 -0.44 0.00 3.00 -1.26 -1.05 118.95 123.90 1y9o s ARG 19 Ca 0.01 -1.82 -0.20 0.00 -1.00 0.00 0.00 55.73 52.73 1y9o s ARG 19 Cb -0.15 -4.52 0.02 0.00 0.00 0.00 0.00 34.95 30.30 1y9o s ARG 19 CO -0.08 -1.54 0.61 0.08 0.00 0.00 0.00 175.30 174.37 1y9o s VAL 20 N 1.90 4.87 0.02 7.11 1.01 -0.59 -2.59 120.40 132.14 1y9o s VAL 20 Ca 0.20 0.03 -0.05 0.00 0.00 0.00 0.00 61.98 62.15 1y9o s VAL 20 Cb -0.14 -4.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 1y9o s VAL 20 CO -0.03 -0.57 0.26 -0.31 0.00 0.00 0.00 175.10 174.44 1y9o s TYR 21 N 2.70 3.56 -5.00 5.22 2.02 -0.01 -1.95 117.35 123.89 1y9o s TYR 21 Ca 0.21 0.52 0.00 0.00 -0.37 0.00 0.00 57.07 57.42 1y9o s TYR 21 Cb -0.15 -1.95 0.00 0.00 -0.40 0.00 0.00 41.96 39.46 1y9o s TYR 21 CO 0.18 0.61 0.00 0.41 -1.57 0.00 0.00 175.55 175.18 1y9o n GLY 22 N 0.98 -0.09 0.29 0.71 0.00 -1.26 -1.80 105.19 104.02 1y9o n GLY 22 Ca -0.10 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.39 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 0.57 0.17 0.99 7.94 -0.50 -4.04 117.00 122.14 1y9o n LEU 23 Ca 0.00 -0.28 0.13 0.00 -1.11 0.00 0.00 56.01 54.74 1y9o n LEU 23 Cb 0.00 -0.28 0.62 0.00 0.53 0.00 0.00 43.42 44.28 1y9o n LEU 23 CO 0.00 0.14 0.88 -0.37 -1.11 0.00 0.00 177.39 176.93 1y9o h VAL 24 N 0.00 0.00 0.00 1.96 -1.51 -1.88 -3.27 116.25 111.55 1y9o h VAL 24 Ca 0.00 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 1y9o h VAL 24 Cb 0.28 0.72 0.00 0.00 -2.13 0.00 0.00 31.29 30.16 1y9o h VAL 24 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 177.57 178.01 1y9o n GLN 25 N -2.36 0.86 -0.59 5.19 -0.06 -1.26 -2.66 117.38 116.51 1y9o n GLN 25 Ca -0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 57.00 54.97 1y9o n GLN 25 Cb 0.11 -1.09 -0.02 0.00 -4.06 0.00 0.00 30.24 25.17 1y9o n GLN 25 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1y9o n GLY 26 N 0.54 0.55 3.24 1.69 0.00 -1.23 -4.86 105.19 105.13 1y9o n GLY 26 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1y9o n GLY 26 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1y9o s VAL 27 N 0.00 0.20 0.00 1.61 -7.23 -1.09 -5.07 120.40 108.83 1y9o s VAL 27 Ca 0.00 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1y9o s VAL 27 Cb 0.00 -2.55 0.00 0.00 0.56 0.00 0.00 36.38 34.39 1y9o s VAL 27 CO 0.00 -0.00 1.33 0.61 -0.31 0.00 0.00 175.10 176.72 1y9o n GLY 28 N -0.34 2.15 1.83 2.32 0.00 -1.26 -4.50 105.19 105.39 1y9o n GLY 28 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 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 0.84 0.00 0.00 1.61 7.35 -1.26 -2.08 117.46 123.91 1y9o n PHE 29 Ca 0.00 -1.20 0.00 0.00 -0.76 0.00 0.00 57.45 55.49 1y9o n PHE 29 Cb 0.50 -1.09 0.00 0.00 0.35 0.00 0.00 39.48 39.24 1y9o n PHE 29 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1y9o n ARG 30 N 2.13 0.00 -0.05 -4.13 1.74 -1.26 -4.72 116.66 110.36 1y9o n ARG 30 Ca 0.23 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.17 1y9o n ARG 30 Cb 0.69 -0.19 -0.07 0.00 -1.02 0.00 0.00 32.46 31.87 1y9o n ARG 30 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1y9o h LYS 31 N 0.00 0.48 0.18 5.56 3.64 -1.87 -3.01 116.57 121.54 1y9o h LYS 31 Ca 0.00 -0.30 0.01 0.00 -1.27 0.00 0.00 60.65 59.09 1y9o h LYS 31 Cb 0.00 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 1y9o h LYS 31 CO 0.00 0.90 -0.32 0.35 -2.27 0.00 0.00 179.45 178.12 1y9o h PHE 32 N 0.10 -0.86 -0.34 1.91 3.57 -1.73 0.88 116.94 120.47 1y9o h PHE 32 Ca 0.01 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 1y9o h PHE 32 Cb 0.88 0.36 -0.02 0.00 2.79 0.00 0.00 35.95 39.96 1y9o h PHE 32 CO 0.10 -0.43 -0.01 -0.24 -2.23 0.00 0.00 178.31 175.49 1y9o h VAL 33 N -0.58 1.20 -0.88 1.41 3.04 -1.84 -1.60 116.25 117.01 1y9o h VAL 33 Ca 0.02 -0.82 0.04 0.00 -1.01 0.00 0.00 66.70 64.92 1y9o h VAL 33 Cb 0.58 0.96 -0.05 0.00 -2.01 0.00 0.00 31.29 30.77 1y9o h VAL 33 CO -0.15 0.28 0.58 -0.61 -1.01 0.00 0.00 177.57 176.66 1y9o h GLN 34 N 0.52 1.06 0.63 4.17 5.75 -1.29 -1.58 115.11 124.38 1y9o h GLN 34 Ca 0.11 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.51 1y9o h GLN 34 Cb 0.35 -0.24 0.01 0.00 1.07 0.00 0.00 27.48 28.67 1y9o h GLN 34 CO 0.01 0.70 -0.30 0.82 -2.65 0.00 0.00 178.83 177.41 1y9o h ILE 35 N 1.09 0.29 -0.68 2.39 1.08 0.18 -2.40 117.51 119.46 1y9o h ILE 35 Ca 0.35 -0.23 -0.06 0.00 -0.39 0.00 0.00 64.86 64.53 1y9o h ILE 35 Cb 0.04 0.36 -0.03 0.00 -3.07 0.00 0.00 36.82 34.12 1y9o h ILE 35 CO -0.11 0.03 0.19 0.45 -0.69 0.00 0.00 178.15 178.02 1y9o h HIS 36 N -1.02 1.09 0.03 1.37 3.86 -1.45 0.37 115.15 119.40 1y9o h HIS 36 Ca -0.09 -0.11 0.03 0.00 -1.16 0.00 0.00 60.37 59.04 1y9o h HIS 36 Cb 0.69 -0.32 -0.05 0.00 1.06 0.00 0.00 27.41 28.79 1y9o h HIS 36 CO -0.00 0.88 -0.39 0.00 0.86 0.00 0.00 177.93 179.27 1y9o h ALA 37 N 1.19 -0.63 -0.45 2.45 0.00 -1.35 -2.82 119.26 117.65 1y9o h ALA 37 Ca 0.22 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1y9o h ALA 37 Cb 0.32 0.69 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1y9o h ALA 37 CO -0.00 -0.93 -0.00 0.82 0.00 0.00 0.00 179.25 179.13 1y9o h ILE 38 N -0.57 1.23 -0.76 0.00 5.03 -0.91 -0.04 117.51 121.50 1y9o h ILE 38 Ca 0.05 -0.96 0.13 0.00 -0.12 0.00 0.00 64.86 63.96 1y9o h ILE 38 Cb 0.64 0.89 -0.09 0.00 -3.03 0.00 0.00 36.82 35.23 1y9o h ILE 38 CO -0.29 0.34 0.34 -0.09 -0.68 0.00 0.00 178.15 177.77 1y9o h ARG 39 N 0.69 0.50 -0.56 2.37 1.12 -0.72 -0.89 114.38 116.88 1y9o h ARG 39 Ca 0.14 -0.03 -0.13 0.00 -1.11 0.00 0.00 59.98 58.85 1y9o h ARG 39 Cb 0.43 -0.11 -0.08 0.00 -0.01 0.00 0.00 29.97 30.20 1y9o h ARG 39 CO 0.02 0.33 0.13 1.28 -3.11 0.00 0.00 179.97 178.62 1y9o n LEU 40 N -4.94 5.34 -3.41 3.80 4.77 -1.05 -4.99 117.00 116.51 1y9o n LEU 40 Ca 0.14 -3.19 -0.18 0.00 -0.03 0.00 0.00 56.01 52.75 1y9o n LEU 40 Cb 0.38 -0.68 0.03 0.00 -2.33 0.00 0.00 43.42 40.83 1y9o n LEU 40 CO 0.20 0.79 0.05 0.61 -1.33 0.00 0.00 177.39 177.72 1y9o n GLY 41 N -0.21 -1.14 3.39 -0.72 0.00 -0.34 -5.01 105.19 101.15 1y9o n GLY 41 Ca 0.34 0.51 -0.32 0.00 0.00 0.00 0.00 46.02 46.55 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 -3.27 2.67 0.33 -0.61 -1.09 -0.10 -4.99 121.20 114.14 1y9o s ILE 42 Ca 0.29 -0.86 0.07 0.00 -2.23 0.00 0.00 60.65 57.92 1y9o s ILE 42 Cb -0.08 -2.02 -0.01 0.00 -1.58 0.00 0.00 42.46 38.77 1y9o s ILE 42 CO 0.80 0.58 0.44 -0.54 -1.23 0.00 0.00 174.94 174.99 1y9o s LYS 43 N -0.49 3.07 0.00 2.79 -0.14 -1.23 -4.41 119.74 119.33 1y9o s LYS 43 Ca 0.06 -1.04 0.00 0.00 -1.36 0.00 0.00 55.97 53.63 1y9o s LYS 43 Cb -0.12 -2.77 0.00 0.00 -1.68 0.00 0.00 37.83 33.26 1y9o s LYS 43 CO 0.01 0.08 0.00 0.41 -0.76 0.00 0.00 175.35 175.09 1y9o n GLY 44 N -1.59 -0.07 3.63 -3.33 0.00 -1.26 -0.33 105.19 102.23 1y9o n GLY 44 Ca -0.01 -0.78 -0.04 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.74 -0.12 -0.90 1.61 6.14 -1.01 -3.80 117.35 115.54 1y9o s TYR 45 Ca 0.00 0.23 -0.01 0.00 0.64 0.00 0.00 57.07 57.92 1y9o s TYR 45 Cb 0.00 0.48 0.23 0.00 0.42 0.00 0.00 41.96 43.09 1y9o s TYR 45 CO 0.00 -0.10 0.83 0.00 0.64 0.00 0.00 175.55 176.92 1y9o n ALA 46 N 0.75 3.92 -2.96 3.97 0.00 -0.55 -1.28 120.51 124.35 1y9o n ALA 46 Ca -0.04 -4.63 -0.44 0.00 0.00 0.00 0.00 53.44 48.33 1y9o n ALA 46 Cb 0.58 -1.70 -0.02 0.00 0.00 0.00 0.00 19.45 18.32 1y9o n ALA 46 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1y9o s LYS 47 N -1.56 3.79 -0.61 0.00 2.20 -0.18 -0.87 119.74 122.51 1y9o s LYS 47 Ca 0.29 -2.11 -0.26 0.00 -0.36 0.00 0.00 55.97 53.53 1y9o s LYS 47 Cb -0.05 -4.94 -0.07 0.00 -1.51 0.00 0.00 37.83 31.26 1y9o s LYS 47 CO -0.10 -1.74 2.23 1.21 -0.36 0.00 0.00 175.35 176.58 1y9o s ASN 48 N 3.24 4.61 -0.67 1.43 2.47 -1.26 -1.12 114.94 123.64 1y9o s ASN 48 Ca 0.36 0.54 -0.27 0.00 0.42 0.00 0.00 52.86 53.90 1y9o s ASN 48 Cb -0.04 -2.52 0.02 0.00 -1.45 0.00 0.00 41.25 37.26 1y9o s ASN 48 CO -0.06 -2.93 1.33 -0.76 -3.72 0.00 0.00 177.10 170.96 1y9o s LEU 49 N 11.71 3.27 0.50 3.21 1.43 -1.11 -4.90 118.68 132.80 1y9o s LEU 49 Ca 0.86 -0.14 -0.22 0.00 -1.03 0.00 0.00 54.13 53.60 1y9o s LEU 49 Cb -0.14 -2.78 -0.06 0.00 0.03 0.00 0.00 46.19 43.24 1y9o s LEU 49 CO 0.19 -1.78 1.22 -2.16 0.23 0.00 0.00 176.35 174.05 1y9o s PRO 50 N 5.62 3.50 -1.22 1.29 0.04 -1.26 -2.43 135.00 140.55 1y9o s PRO 50 Ca 0.42 1.90 -0.04 0.00 0.04 0.00 0.00 61.00 63.32 1y9o s PRO 50 Cb -0.09 -2.31 -0.01 0.00 0.04 0.00 0.00 34.50 32.13 1y9o s PRO 50 CO 0.19 -0.80 0.80 -3.47 0.04 0.00 0.00 177.00 173.76 1y9o n ASP 51 N -0.77 -2.92 0.00 6.66 2.03 -1.26 -4.90 116.55 115.40 1y9o n ASP 51 Ca 0.09 -0.80 0.00 0.00 0.52 0.00 0.00 54.79 54.60 1y9o n ASP 51 Cb 0.47 -4.32 0.00 0.00 -0.72 0.00 0.00 41.12 36.56 1y9o n ASP 51 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1y9o n GLY 52 N -1.46 1.29 3.24 0.27 0.00 -1.02 -5.18 105.19 102.32 1y9o n GLY 52 Ca -0.23 0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 1y9o n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y9o s SER 53 N 2.00 2.18 -0.33 1.61 1.04 -1.20 -4.68 113.70 114.31 1y9o s SER 53 Ca 0.00 -0.65 -0.22 0.00 0.48 0.00 0.00 55.95 55.57 1y9o s SER 53 Cb 0.00 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.02 1y9o s SER 53 CO 0.00 0.01 0.70 0.54 0.98 0.00 0.00 173.24 175.47 1y9o s VAL 54 N -1.18 4.84 -0.56 5.02 0.11 -0.82 -2.75 120.40 125.06 1y9o s VAL 54 Ca 0.03 0.85 -0.20 0.00 -2.93 0.00 0.00 61.98 59.73 1y9o s VAL 54 Cb -0.10 -4.11 0.07 0.00 -1.53 0.00 0.00 36.38 30.71 1y9o s VAL 54 CO 0.03 -0.29 0.75 -0.70 -3.33 0.00 0.00 175.10 171.57 1y9o s GLU 55 N 2.83 3.14 -0.18 1.54 -6.30 -0.27 -1.54 118.70 117.93 1y9o s GLU 55 Ca 0.28 -0.86 -0.10 0.00 -2.50 0.00 0.00 54.97 51.79 1y9o s GLU 55 Cb -0.14 -4.15 -0.05 0.00 0.00 0.00 0.00 34.13 29.79 1y9o s GLU 55 CO 0.14 -1.43 0.15 0.08 0.02 0.00 0.00 175.26 174.22 1y9o s VAL 56 N 3.10 5.42 0.05 3.70 1.01 -0.22 -1.01 120.40 132.46 1y9o s VAL 56 Ca 0.18 0.23 0.08 0.00 0.00 0.00 0.00 61.98 62.47 1y9o s VAL 56 Cb -0.19 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 1y9o s VAL 56 CO 0.12 0.47 -0.19 -0.69 0.00 0.00 0.00 175.10 174.81 1y9o s VAL 57 N 0.06 2.74 -0.24 2.92 1.01 -0.41 -0.90 120.40 125.58 1y9o s VAL 57 Ca 0.10 -1.26 -0.08 0.00 0.00 0.00 0.00 61.98 60.75 1y9o s VAL 57 Cb -0.11 -2.16 0.11 0.00 0.00 0.00 0.00 36.38 34.22 1y9o s VAL 57 CO -0.00 0.30 0.52 0.00 0.00 0.00 0.00 175.10 175.92 1y9o s ALA 58 N -0.95 -1.55 -0.36 5.51 0.00 -0.97 -2.40 121.76 121.04 1y9o s ALA 58 Ca 0.15 1.84 -0.06 0.00 0.00 0.00 0.00 51.96 53.89 1y9o s ALA 58 Cb -0.10 -1.55 0.06 0.00 0.00 0.00 0.00 23.12 21.53 1y9o s ALA 58 CO 0.06 -0.86 0.15 -1.21 0.00 0.00 0.00 175.76 173.89 1y9o s GLU 59 N 2.74 2.53 0.29 0.00 2.02 0.55 -0.42 118.70 126.40 1y9o s GLU 59 Ca -0.02 -1.34 -0.04 0.00 0.02 0.00 0.00 54.97 53.59 1y9o s GLU 59 Cb -0.12 -3.53 -0.01 0.00 0.10 0.00 0.00 34.13 30.56 1y9o s GLU 59 CO -0.16 -0.79 0.39 0.20 0.02 0.00 0.00 175.26 174.93 1y9o s GLY 60 N 1.63 1.34 1.03 -1.39 0.00 -0.49 -3.55 107.32 105.88 1y9o s GLY 60 Ca 0.00 -1.45 -0.15 0.00 0.00 0.00 0.00 44.72 43.12 1y9o s GLY 60 CO 0.01 -1.03 1.14 -0.19 0.00 0.00 0.00 173.10 173.03 1y9o s TYR 61 N -3.53 1.69 0.26 1.90 1.51 -1.26 -1.04 117.35 116.88 1y9o s TYR 61 Ca 0.31 0.71 0.10 0.00 -1.01 0.00 0.00 57.07 57.18 1y9o s TYR 61 Cb 0.01 -3.46 0.31 0.00 -0.11 0.00 0.00 41.96 38.71 1y9o s TYR 61 CO 0.17 -3.01 1.59 0.93 -1.11 0.00 0.00 175.55 174.11 1y9o h GLU 62 N -1.96 0.00 0.00 -0.62 5.08 -1.98 -0.06 114.58 115.04 1y9o h GLU 62 Ca -0.49 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1y9o h GLU 62 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1y9o h GLU 62 CO 0.50 0.65 0.00 1.05 -1.00 0.00 0.00 179.01 180.21 1y9o h GLU 63 N 0.00 0.00 -0.00 2.33 -0.00 -2.03 -2.17 114.58 112.71 1y9o h GLU 63 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.35 1y9o h GLU 63 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.90 1y9o h GLU 63 CO 0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 179.01 179.07 1y9o n ALA 64 N -1.96 2.41 0.23 1.06 0.00 -1.16 -4.66 120.51 116.43 1y9o n ALA 64 Ca -0.01 -0.38 -0.10 0.00 0.00 0.00 0.00 53.44 52.96 1y9o n ALA 64 Cb 0.16 -0.06 -0.05 0.00 0.00 0.00 0.00 19.45 19.50 1y9o n ALA 64 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1y9o h LEU 65 N 0.26 -0.53 -0.96 0.00 5.85 -0.33 -2.84 115.31 116.77 1y9o h LEU 65 Ca 0.00 0.02 0.31 0.00 0.84 0.00 0.00 57.88 59.05 1y9o h LEU 65 Cb 0.07 0.14 -0.16 0.00 0.37 0.00 0.00 40.66 41.07 1y9o h LEU 65 CO 0.00 -0.22 0.34 0.77 -0.34 0.00 0.00 178.44 178.99 1y9o h SER 66 N -0.94 0.08 0.12 1.25 4.64 -1.83 0.32 113.55 117.20 1y9o h SER 66 Ca -0.06 0.23 -0.01 0.00 -0.47 0.00 0.00 61.79 61.48 1y9o h SER 66 Cb 0.48 0.29 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1y9o h SER 66 CO 0.10 -0.27 -0.06 0.11 -0.87 0.00 0.00 176.83 175.84 1y9o h LYS 67 N 0.13 -0.16 0.00 4.77 6.56 -1.83 0.10 116.57 126.14 1y9o h LYS 67 Ca 0.68 0.01 -0.04 0.00 -1.06 0.00 0.00 60.65 60.24 1y9o h LYS 67 Cb 1.56 0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 33.25 1y9o h LYS 67 CO -0.74 0.05 -0.21 1.25 -2.06 0.00 0.00 179.45 177.75 1y9o h LEU 68 N -0.35 0.00 0.09 2.94 7.12 -0.77 -1.39 115.31 122.94 1y9o h LEU 68 Ca -0.02 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 57.99 1y9o h LEU 68 Cb 0.29 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.42 1y9o h LEU 68 CO 0.03 0.21 -0.04 0.25 -0.13 0.00 0.00 178.44 178.76 1y9o h LEU 69 N 0.00 -0.10 -1.43 2.25 7.12 -0.35 -3.37 115.31 119.42 1y9o h LEU 69 Ca -0.00 0.00 -0.05 0.00 0.13 0.00 0.00 57.88 57.96 1y9o h LEU 69 Cb 0.66 0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.81 1y9o h LEU 69 CO 0.03 0.30 -0.23 -0.33 -0.13 0.00 0.00 178.44 178.07 1y9o h GLU 70 N -0.85 0.00 -0.60 1.25 5.08 -1.02 -1.46 114.58 116.98 1y9o h GLU 70 Ca -0.01 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.44 1y9o h GLU 70 Cb 0.09 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.24 1y9o h GLU 70 CO 0.02 0.23 -0.24 -2.13 -1.00 0.00 0.00 179.01 175.90 1y9o n ARG 71 N -3.64 -0.14 0.14 2.33 3.00 -0.53 -0.80 116.66 117.02 1y9o n ARG 71 Ca -0.01 0.92 -0.10 0.00 -0.00 0.00 0.00 57.85 58.66 1y9o n ARG 71 Cb 0.36 -1.37 -0.06 0.00 0.00 0.00 0.00 32.46 31.39 1y9o n ARG 71 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 1y9o h ILE 72 N 0.00 0.45 -0.17 5.15 2.04 -1.44 -0.09 117.51 123.45 1y9o h ILE 72 Ca 0.21 -0.80 0.01 0.00 1.00 0.00 0.00 64.86 65.28 1y9o h ILE 72 Cb 0.36 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1y9o h ILE 72 CO -0.59 0.11 0.07 0.11 0.00 0.00 0.00 178.15 177.84 1y9o h LYS 73 N -0.98 0.16 -0.34 2.37 6.56 -1.55 -2.13 116.57 120.66 1y9o h LYS 73 Ca -0.04 -0.01 -0.11 0.00 -1.06 0.00 0.00 60.65 59.43 1y9o h LYS 73 Cb 0.49 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 32.11 1y9o h LYS 73 CO 0.07 0.10 -0.22 0.37 -2.06 0.00 0.00 179.45 177.71 1y9o h GLN 74 N 0.16 0.75 -3.14 3.15 5.75 -1.09 -3.36 115.11 117.34 1y9o h GLN 74 Ca 0.07 -0.36 -0.67 0.00 -0.15 0.00 0.00 58.65 57.55 1y9o h GLN 74 Cb 0.03 -0.01 -0.38 0.00 1.07 0.00 0.00 27.48 28.19 1y9o h GLN 74 CO -0.07 0.97 -0.28 0.41 -2.65 0.00 0.00 178.83 177.21 1y9o n GLY 75 N 0.03 4.16 3.78 2.39 0.00 -0.05 -5.07 105.19 110.43 1y9o n GLY 75 Ca -0.03 -2.61 -0.30 0.00 0.00 0.00 0.00 46.02 43.08 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 -1.54 2.02 0.75 1.61 0.04 -0.82 -4.37 135.00 132.68 1y9o s PRO 76 Ca 0.28 0.82 -0.11 0.00 0.04 0.00 0.00 61.00 62.02 1y9o s PRO 76 Cb -0.04 -1.90 0.04 0.00 0.04 0.00 0.00 34.50 32.64 1y9o s PRO 76 CO -0.13 -1.71 1.08 -1.25 0.04 0.00 0.00 177.00 175.02 1y9o s PRO 77 N -5.04 2.50 -0.31 0.56 0.04 -1.26 -4.96 135.00 126.53 1y9o s PRO 77 Ca 0.61 0.80 -0.02 0.00 0.04 0.00 0.00 61.00 62.44 1y9o s PRO 77 Cb -0.16 -1.95 0.15 0.00 0.04 0.00 0.00 34.50 32.58 1y9o s PRO 77 CO 0.55 -1.37 2.22 0.00 0.04 0.00 0.00 177.00 178.44 1y9o n ALA 78 N -3.29 5.34 -2.54 8.56 0.00 -1.26 -4.85 120.51 122.46 1y9o n ALA 78 Ca 0.07 -1.80 -0.09 0.00 0.00 0.00 0.00 53.44 51.62 1y9o n ALA 78 Cb 0.55 -1.53 -0.08 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.56 0.05 -1.14 0.00 0.00 -1.26 -4.97 121.76 112.87 1y9o s ALA 79 Ca 0.35 -0.87 -0.22 0.00 0.00 0.00 0.00 51.96 51.23 1y9o s ALA 79 Cb 0.25 0.68 -0.00 0.00 0.00 0.00 0.00 23.12 24.05 1y9o s ALA 79 CO -0.04 -0.56 1.78 -1.21 0.00 0.00 0.00 175.76 175.73 1y9o s GLU 80 N -3.93 3.20 -1.10 0.00 8.01 -1.26 -4.84 118.70 118.77 1y9o s GLU 80 Ca 0.13 -1.28 -0.23 0.00 0.01 0.00 0.00 54.97 53.60 1y9o s GLU 80 Cb 0.05 -5.33 -0.08 0.00 -4.31 0.00 0.00 34.13 24.45 1y9o s GLU 80 CO -0.05 -2.99 1.95 0.54 0.01 0.00 0.00 175.26 174.73 1y9o s VAL 81 N 7.52 3.49 0.14 2.63 0.11 -1.26 -1.40 120.40 131.63 1y9o s VAL 81 Ca 0.60 -0.73 -0.29 0.00 -2.93 0.00 0.00 61.98 58.63 1y9o s VAL 81 Cb -0.00 -4.38 -0.07 0.00 -1.53 0.00 0.00 36.38 30.40 1y9o s VAL 81 CO 0.05 -0.93 1.49 -0.08 -3.33 0.00 0.00 175.10 172.30 1y9o h GLU 82 N 10.25 -0.06 -1.87 1.54 4.81 -1.69 -3.43 114.58 124.13 1y9o h GLU 82 Ca 0.17 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.44 1y9o h GLU 82 Cb 0.96 0.01 -0.23 0.00 0.63 0.00 0.00 28.75 30.13 1y9o h GLU 82 CO 1.21 -0.04 0.16 -1.59 -0.73 0.00 0.00 179.01 178.02 1y9o s LYS 83 N -5.30 0.66 -0.75 1.92 -2.85 -0.92 -4.99 119.74 107.51 1y9o s LYS 83 Ca -0.11 1.00 -0.17 0.00 -1.00 0.00 0.00 55.97 55.69 1y9o s LYS 83 Cb 0.10 0.21 0.15 0.00 -2.06 0.00 0.00 37.83 36.23 1y9o s LYS 83 CO 0.56 -0.11 0.80 0.54 0.10 0.00 0.00 175.35 177.24 1y9o s VAL 84 N 1.11 5.13 -1.34 1.79 0.11 -1.26 -0.83 120.40 125.10 1y9o s VAL 84 Ca -0.06 -1.71 -0.11 0.00 -2.93 0.00 0.00 61.98 57.18 1y9o s VAL 84 Cb -0.05 -4.53 0.13 0.00 -1.53 0.00 0.00 36.38 30.40 1y9o s VAL 84 CO -0.12 -1.15 1.99 -0.67 -3.33 0.00 0.00 175.10 171.82 1y9o n ASP 85 N 5.42 4.70 -4.82 3.54 2.03 -1.07 -4.91 116.55 121.43 1y9o n ASP 85 Ca 0.06 -3.02 -0.31 0.00 0.52 0.00 0.00 54.79 52.04 1y9o n ASP 85 Cb 0.45 -1.54 0.05 0.00 -0.72 0.00 0.00 41.12 39.37 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 1.28 3.11 -0.31 -0.67 1.13 -1.26 -4.13 117.35 116.50 1y9o s TYR 86 Ca 0.42 1.33 -0.02 0.00 -1.41 0.00 0.00 57.07 57.39 1y9o s TYR 86 Cb 0.11 -2.93 0.12 0.00 -1.10 0.00 0.00 41.96 38.17 1y9o s TYR 86 CO -0.03 -1.30 0.22 -1.12 -2.51 0.00 0.00 175.55 170.82 1y9o s SER 87 N -3.89 2.64 0.10 -0.18 0.01 -0.00 -4.95 113.70 107.43 1y9o s SER 87 Ca 0.58 -1.29 -0.34 0.00 1.31 0.00 0.00 55.95 56.22 1y9o s SER 87 Cb -0.14 0.00 -0.13 0.00 0.21 0.00 0.00 66.02 65.96 1y9o s SER 87 CO 0.55 -0.39 1.68 0.33 0.41 0.00 0.00 173.24 175.82 1y9o n PHE 88 N 4.99 2.34 -3.32 2.43 -0.00 -1.26 -3.81 117.46 118.83 1y9o n PHE 88 Ca -0.00 0.16 0.00 0.00 -0.00 0.00 0.00 57.45 57.60 1y9o n PHE 88 Cb 0.43 -2.59 0.00 0.00 -0.00 0.00 0.00 39.48 37.31 1y9o n PHE 88 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1y9o n SER 89 N 4.37 0.51 -4.28 -2.13 7.64 -0.59 -4.99 113.62 114.15 1y9o n SER 89 Ca 0.18 -0.32 -0.22 0.00 1.01 0.00 0.00 58.87 59.52 1y9o n SER 89 Cb 0.30 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.38 1y9o n SER 89 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1y9o s GLU 90 N 0.04 1.11 0.09 1.43 4.04 -1.26 -3.48 118.70 120.66 1y9o s GLU 90 Ca 0.00 -1.20 -0.32 0.00 0.04 0.00 0.00 54.97 53.49 1y9o s GLU 90 Cb 0.00 -1.26 -0.11 0.00 0.02 0.00 0.00 34.13 32.78 1y9o s GLU 90 CO 0.00 0.28 1.82 2.48 -1.84 0.00 0.00 175.26 178.00 1y9o n TYR 91 N 0.88 2.52 -0.03 4.83 4.11 -1.26 -4.48 117.16 123.73 1y9o n TYR 91 Ca -0.18 -0.08 -0.15 0.00 -0.00 0.00 0.00 57.90 57.48 1y9o n TYR 91 Cb 0.55 -2.70 -0.09 0.00 -0.00 0.00 0.00 39.34 37.09 1y9o n TYR 91 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.86 176.64 1y9o h LYS 92 N 8.43 0.37 -2.96 -3.48 3.64 -1.99 -3.48 116.57 117.10 1y9o h LYS 92 Ca -0.47 -0.32 0.02 0.00 -1.27 0.00 0.00 60.65 58.62 1y9o h LYS 92 Cb 1.24 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.11 1y9o h LYS 92 CO 0.94 0.96 0.28 0.20 -2.27 0.00 0.00 179.45 179.56 1y9o s GLY 93 N -3.85 0.22 -0.76 5.01 0.00 -1.26 -5.11 107.32 101.57 1y9o s GLY 93 Ca -0.14 -0.59 -0.22 0.00 0.00 0.00 0.00 44.72 43.77 1y9o s GLY 93 CO 0.79 -0.11 1.07 -1.83 0.00 0.00 0.00 173.10 173.02 1y9o s GLU 94 N -2.76 3.27 0.10 2.90 -1.05 -1.26 -4.93 118.70 114.98 1y9o s GLU 94 Ca 0.14 -1.02 -0.29 0.00 -0.15 0.00 0.00 54.97 53.66 1y9o s GLU 94 Cb -0.05 -4.48 -0.11 0.00 -0.44 0.00 0.00 34.13 29.05 1y9o s GLU 94 CO 0.10 -1.87 1.63 0.74 0.95 0.00 0.00 175.26 176.80 1y9o h PHE 95 N 9.46 -0.79 -6.00 4.83 -1.00 -1.94 -3.47 116.94 118.02 1y9o h PHE 95 Ca -0.14 0.01 -0.36 0.00 2.81 0.00 0.00 57.97 60.29 1y9o h PHE 95 Cb 1.05 0.32 0.10 0.00 3.61 0.00 0.00 35.95 41.03 1y9o h PHE 95 CO 1.06 -0.42 -0.86 0.39 -1.61 0.00 0.00 178.31 176.87 1y9o n GLU 96 N -5.41 -1.48 0.00 1.51 1.02 -1.26 -4.94 120.64 110.08 1y9o n GLU 96 Ca -0.08 0.65 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 1y9o n GLU 96 Cb 0.32 -4.57 0.00 0.00 -0.02 0.00 0.00 31.44 27.17 1y9o n GLU 96 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1y9o n ASP 97 N -2.73 0.00 -4.47 1.62 -0.08 -1.26 -5.06 116.55 104.57 1y9o n ASP 97 Ca -0.09 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.76 1y9o n ASP 97 Cb 0.59 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.02 1y9o n ASP 97 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 1y9o s PHE 98 N 0.00 2.66 0.35 -0.67 2.19 -1.25 -4.16 117.98 117.11 1y9o s PHE 98 Ca 0.00 -0.60 0.09 0.00 0.33 0.00 0.00 56.93 56.75 1y9o s PHE 98 Cb 0.00 -4.37 -0.06 0.00 -1.31 0.00 0.00 43.02 37.28 1y9o s PHE 98 CO 0.00 -1.71 -0.02 -2.00 1.83 0.00 0.00 175.22 173.32 1y9o s GLU 99 N 4.19 1.99 0.02 10.12 2.12 -1.26 -4.90 118.70 130.98 1y9o s GLU 99 Ca 0.27 -1.83 0.06 0.00 0.36 0.00 0.00 54.97 53.82 1y9o s GLU 99 Cb -0.13 -1.84 -0.03 0.00 0.26 0.00 0.00 34.13 32.39 1y9o s GLU 99 CO 0.07 0.12 -0.15 0.95 -0.54 0.00 0.00 175.26 175.71 1y9o s THR 100 N -2.56 3.00 -2.59 -1.70 -4.23 -1.26 -1.48 115.64 104.81 1y9o s THR 100 Ca 0.34 -1.04 0.27 0.00 -1.18 0.00 0.00 61.69 60.09 1y9o s THR 100 Cb 0.01 -2.26 0.48 0.00 1.34 0.00 0.00 72.50 72.08 1y9o s THR 100 CO 0.18 0.38 1.66 -1.22 -0.54 0.00 0.00 174.62 175.09