#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k20 n THR 8 N 0.00 0.00 -2.60 2.61 -2.24 -1.26 -5.00 114.28 105.79 2k20 n THR 8 Ca 0.00 -0.25 -0.38 0.00 -2.27 0.00 0.00 64.05 61.15 2k20 n THR 8 Cb 0.00 0.54 -0.05 0.00 -2.10 0.00 0.00 70.33 68.72 2k20 n THR 8 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2k20 s ARG 9 N -2.50 4.48 0.10 -0.78 3.52 -1.26 -0.86 118.95 121.64 2k20 s ARG 9 Ca -0.01 1.55 -0.26 0.00 -0.13 0.00 0.00 55.73 56.89 2k20 s ARG 9 Cb 0.08 -2.88 0.08 0.00 -1.56 0.00 0.00 34.95 30.67 2k20 s ARG 9 CO 0.47 0.14 0.78 -1.83 -0.81 0.00 0.00 175.30 174.05 2k20 s GLU 10 N -1.92 1.11 -0.01 5.12 -1.05 -0.51 -4.97 118.70 116.47 2k20 s GLU 10 Ca 0.50 -0.46 -0.01 0.00 -0.15 0.00 0.00 54.97 54.85 2k20 s GLU 10 Cb -0.25 0.48 -0.04 0.00 -0.44 0.00 0.00 34.13 33.88 2k20 s GLU 10 CO 0.31 -0.49 0.09 -0.06 0.95 0.00 0.00 175.26 176.06 2k20 s PHE 11 N -3.43 3.31 -0.08 4.83 0.40 -1.26 -2.05 117.98 119.69 2k20 s PHE 11 Ca 0.05 0.22 -0.01 0.00 -0.60 0.00 0.00 56.93 56.59 2k20 s PHE 11 Cb -0.01 -1.75 0.03 0.00 0.51 0.00 0.00 43.02 41.80 2k20 s PHE 11 CO -0.08 0.56 -0.01 -0.51 0.70 0.00 0.00 175.22 175.88 2k20 s LEU 12 N -1.73 0.73 0.18 -0.37 1.02 0.93 -4.98 118.68 114.46 2k20 s LEU 12 Ca 0.23 -0.16 -0.20 0.00 0.02 0.00 0.00 54.13 54.02 2k20 s LEU 12 Cb -0.12 -0.52 -0.08 0.00 0.02 0.00 0.00 46.19 45.49 2k20 s LEU 12 CO 0.14 -0.18 0.68 -0.89 0.02 0.00 0.00 176.35 176.12 2k20 s THR 13 N 1.92 4.60 0.20 5.49 2.01 -1.26 -1.07 115.64 127.52 2k20 s THR 13 Ca 0.05 1.28 -0.01 0.00 0.31 0.00 0.00 61.69 63.32 2k20 s THR 13 Cb -0.12 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 2k20 s THR 13 CO -0.06 0.33 0.12 -0.36 -0.69 0.00 0.00 174.62 173.96 2k20 s PHE 14 N -1.38 1.15 -0.20 4.92 0.08 0.38 -4.94 117.98 117.99 2k20 s PHE 14 Ca 0.39 -1.35 -0.05 0.00 0.12 0.00 0.00 56.93 56.04 2k20 s PHE 14 Cb -0.18 -0.57 0.07 0.00 -0.57 0.00 0.00 43.02 41.77 2k20 s PHE 14 CO 0.21 -0.60 0.10 -1.21 -0.10 0.00 0.00 175.22 173.62 2k20 s GLU 15 N -4.14 0.14 -0.36 0.44 8.01 -1.26 0.45 118.70 121.98 2k20 s GLU 15 Ca 0.37 -0.22 -0.11 0.00 0.01 0.00 0.00 54.97 55.02 2k20 s GLU 15 Cb 0.07 -1.70 0.02 0.00 -4.31 0.00 0.00 34.13 28.21 2k20 s GLU 15 CO 0.11 -0.75 0.20 0.08 0.01 0.00 0.00 175.26 174.90 2k20 s VAL 16 N 2.10 4.60 -0.07 2.63 1.01 0.49 -4.89 120.40 126.28 2k20 s VAL 16 Ca 0.04 -0.76 -0.28 0.00 0.00 0.00 0.00 61.98 60.98 2k20 s VAL 16 Cb -0.16 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 2k20 s VAL 16 CO -0.16 -0.17 0.92 -2.16 0.00 0.00 0.00 175.10 173.53 2k20 s PRO 17 N 1.57 4.46 -0.15 2.72 0.04 -1.26 -0.55 135.00 141.83 2k20 s PRO 17 Ca 0.03 1.26 0.15 0.00 0.04 0.00 0.00 61.00 62.48 2k20 s PRO 17 Cb -0.19 -3.50 0.40 0.00 0.04 0.00 0.00 34.50 31.26 2k20 s PRO 17 CO 0.07 -0.15 1.20 1.47 0.04 0.00 0.00 177.00 179.62 2k20 n LEU 18 N 4.40 2.20 -0.60 -3.56 -0.00 0.14 -4.50 117.00 115.08 2k20 n LEU 18 Ca 0.05 -3.32 0.47 0.00 -0.00 0.00 0.00 56.01 53.22 2k20 n LEU 18 Cb 0.50 -0.38 0.75 0.00 -0.00 0.00 0.00 43.42 44.29 2k20 n LEU 18 CO 0.51 1.11 1.35 -0.46 -0.00 0.00 0.00 177.39 179.90 2k20 n ASN 19 N -0.71 0.09 -0.06 1.45 2.04 -1.17 0.13 115.26 117.03 2k20 n ASN 19 Ca 0.15 1.16 -0.08 0.00 -0.44 0.00 0.00 54.58 55.37 2k20 n ASN 19 Cb 0.80 -0.57 -0.08 0.00 -2.53 0.00 0.00 39.78 37.40 2k20 n ASN 19 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 2k20 n ASP 20 N -4.25 2.62 0.00 0.53 9.92 -1.26 -4.44 116.55 119.66 2k20 n ASP 20 Ca 0.42 -0.04 0.06 0.00 -0.53 0.00 0.00 54.79 54.70 2k20 n ASP 20 Cb 1.79 0.25 0.25 0.00 -0.64 0.00 0.00 41.12 42.77 2k20 n ASP 20 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2k20 n SER 21 N -2.67 0.00 -0.55 -2.24 2.88 0.50 -3.43 113.62 108.11 2k20 n SER 21 Ca -0.22 0.47 0.46 0.00 -1.33 0.00 0.00 58.87 58.25 2k20 n SER 21 Cb 0.81 -0.48 0.79 0.00 -0.75 0.00 0.00 64.21 64.57 2k20 n SER 21 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2k20 h GLY 22 N 1.96 0.00 1.16 0.46 0.00 0.91 1.19 103.07 108.74 2k20 h GLY 22 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 2k20 h GLY 22 CO 0.00 0.00 -1.58 1.76 0.00 0.00 0.00 176.54 176.72 2k20 h SER 23 N 0.00 0.68 1.75 0.19 0.02 -1.84 -3.30 113.55 111.05 2k20 h SER 23 Ca 0.79 -0.85 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 2k20 h SER 23 Cb 3.21 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 65.53 2k20 h SER 23 CO -0.01 1.69 -0.08 0.00 -1.14 0.00 0.00 176.83 177.29 2k20 h ALA 24 N 0.21 0.96 0.00 3.77 0.00 0.59 -3.48 119.26 121.31 2k20 h ALA 24 Ca -0.28 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2k20 h ALA 24 Cb 2.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.89 2k20 h ALA 24 CO 0.22 0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.98 2k20 n GLY 25 N 0.93 3.19 0.00 0.00 0.00 0.33 -4.44 105.19 105.20 2k20 n GLY 25 Ca 0.03 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.18 2k20 n GLY 25 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2k20 n LEU 26 N 0.00 0.00 0.00 0.99 7.94 -1.24 -4.60 117.00 120.09 2k20 n LEU 26 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2k20 n LEU 26 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2k20 n LEU 26 CO 0.00 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 2k20 n GLY 27 N 0.00 1.23 3.53 -3.96 0.00 -1.26 0.17 105.19 104.89 2k20 n GLY 27 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2k20 n GLY 27 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k20 s VAL 28 N -2.00 0.02 -0.20 1.61 -7.23 -1.26 0.15 120.40 111.49 2k20 s VAL 28 Ca 0.00 -0.69 0.01 0.00 -1.81 0.00 0.00 61.98 59.49 2k20 s VAL 28 Cb 0.00 -1.53 0.04 0.00 0.56 0.00 0.00 36.38 35.45 2k20 s VAL 28 CO 0.00 -0.10 -0.11 -0.44 -0.31 0.00 0.00 175.10 174.14 2k20 s SER 29 N -2.86 3.38 -0.07 4.85 0.01 0.28 -4.84 113.70 114.46 2k20 s SER 29 Ca 0.08 -0.87 -0.01 0.00 1.31 0.00 0.00 55.95 56.46 2k20 s SER 29 Cb -0.01 -1.27 -0.03 0.00 0.21 0.00 0.00 66.02 64.92 2k20 s SER 29 CO -0.04 -0.13 0.01 0.68 0.41 0.00 0.00 173.24 174.17 2k20 s VAL 30 N 1.38 4.34 -0.09 3.43 -7.23 -1.26 0.11 120.40 121.07 2k20 s VAL 30 Ca -0.01 -0.30 -0.05 0.00 -1.81 0.00 0.00 61.98 59.81 2k20 s VAL 30 Cb -0.16 -2.85 0.04 0.00 0.56 0.00 0.00 36.38 33.97 2k20 s VAL 30 CO -0.09 0.55 0.21 -1.59 -0.31 0.00 0.00 175.10 173.88 2k20 s LYS 31 N -1.05 0.18 0.29 4.82 0.00 -0.95 -4.87 119.74 118.15 2k20 s LYS 31 Ca 0.15 0.45 0.06 0.00 0.00 0.00 0.00 55.97 56.63 2k20 s LYS 31 Cb -0.11 -0.11 -0.02 0.00 0.00 0.00 0.00 37.83 37.58 2k20 s LYS 31 CO 0.04 -0.15 0.35 0.20 0.00 0.00 0.00 175.35 175.79 2k20 s GLY 32 N 1.09 1.46 0.08 0.59 0.00 -1.25 -1.52 107.32 107.76 2k20 s GLY 32 Ca -0.08 -1.41 0.02 0.00 0.00 0.00 0.00 44.72 43.25 2k20 s GLY 32 CO -0.07 -1.38 -0.07 -1.31 0.00 0.00 0.00 173.10 170.27 2k20 s ASN 33 N -4.01 1.03 0.13 1.64 0.02 -0.72 -4.96 114.94 108.07 2k20 s ASN 33 Ca 0.38 -0.85 0.06 0.00 -1.02 0.00 0.00 52.86 51.43 2k20 s ASN 33 Cb -0.08 0.08 -0.04 0.00 0.02 0.00 0.00 41.25 41.22 2k20 s ASN 33 CO 0.28 -0.38 0.02 0.00 0.02 0.00 0.00 177.10 177.05 2k20 s ARG 34 N -3.07 2.56 0.25 -0.60 1.70 -1.26 0.16 118.95 118.69 2k20 s ARG 34 Ca 0.04 -0.93 -0.30 0.00 -0.47 0.00 0.00 55.73 54.08 2k20 s ARG 34 Cb 0.00 -2.50 -0.14 0.00 -0.57 0.00 0.00 34.95 31.73 2k20 s ARG 34 CO -0.03 0.50 1.11 0.45 -1.08 0.00 0.00 175.30 176.25 2k20 n SER 35 N 0.19 1.50 0.26 -2.89 2.88 0.28 -4.82 113.62 111.03 2k20 n SER 35 Ca -0.10 1.16 0.13 0.00 -1.33 0.00 0.00 58.87 58.73 2k20 n SER 35 Cb 0.53 -1.28 0.67 0.00 -0.75 0.00 0.00 64.21 63.37 2k20 n SER 35 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2k20 h LYS 36 N 2.70 0.00 0.05 -1.46 -0.00 -1.98 -3.11 116.57 112.77 2k20 h LYS 36 Ca -0.41 0.00 -0.00 0.00 -0.00 0.00 0.00 60.65 60.23 2k20 h LYS 36 Cb 1.33 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.56 2k20 h LYS 36 CO 0.65 0.14 -0.02 1.49 -0.00 0.00 0.00 179.45 181.71 2k20 h GLU 37 N 0.00 -0.06 -4.70 0.07 4.57 -1.97 -3.47 114.58 109.01 2k20 h GLU 37 Ca -0.00 0.00 -0.24 0.00 -1.18 0.00 0.00 59.36 57.95 2k20 h GLU 37 Cb 0.46 0.01 -0.15 0.00 -0.16 0.00 0.00 28.75 28.92 2k20 h GLU 37 CO 0.02 0.46 -0.70 0.54 -1.18 0.00 0.00 179.01 178.15 2k20 s ASN 38 N -5.67 1.21 -0.79 1.04 2.20 -1.17 -5.04 114.94 106.71 2k20 s ASN 38 Ca -0.16 -1.02 -0.15 0.00 -0.94 0.00 0.00 52.86 50.59 2k20 s ASN 38 Cb 0.01 0.09 -0.12 0.00 -2.00 0.00 0.00 41.25 39.23 2k20 s ASN 38 CO 0.63 -0.46 1.96 1.41 -2.94 0.00 0.00 177.10 177.71 2k20 n HIS 39 N -0.07 1.61 -4.09 1.54 8.25 -1.26 -3.74 115.22 117.45 2k20 n HIS 39 Ca -0.12 -1.81 -0.29 0.00 -0.26 0.00 0.00 57.72 55.24 2k20 n HIS 39 Cb 0.61 -1.65 -0.17 0.00 1.12 0.00 0.00 29.99 29.90 2k20 n HIS 39 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2k20 s ALA 40 N 4.43 1.66 0.47 -1.41 0.00 -1.26 -4.97 121.76 120.67 2k20 s ALA 40 Ca 0.49 -0.76 -0.23 0.00 0.00 0.00 0.00 51.96 51.47 2k20 s ALA 40 Cb 0.12 -0.96 -0.09 0.00 0.00 0.00 0.00 23.12 22.20 2k20 s ALA 40 CO 0.06 -0.32 1.00 -0.40 0.00 0.00 0.00 175.76 176.10 2k20 n ASP 41 N 4.68 1.14 -0.05 0.00 5.75 -1.26 0.10 116.55 126.91 2k20 n ASP 41 Ca -0.16 0.98 -0.05 0.00 -0.01 0.00 0.00 54.79 55.54 2k20 n ASP 41 Cb 0.50 -1.36 -0.08 0.00 -1.03 0.00 0.00 41.12 39.15 2k20 n ASP 41 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2k20 n LEU 42 N 0.22 0.00 0.00 -2.12 4.77 0.41 -4.64 117.00 115.64 2k20 n LEU 42 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2k20 n LEU 42 Cb 0.41 0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 2k20 n LEU 42 CO 0.55 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 2k20 n GLY 43 N 2.35 0.63 3.65 -0.72 0.00 -1.19 -4.98 105.19 104.93 2k20 n GLY 43 Ca -0.17 -1.88 -0.34 0.00 0.00 0.00 0.00 46.02 43.63 2k20 n GLY 43 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k20 s ILE 44 N -1.25 4.12 0.01 -0.61 -0.00 -1.26 -1.75 121.20 120.46 2k20 s ILE 44 Ca 0.00 -0.36 0.05 0.00 -0.00 0.00 0.00 60.65 60.34 2k20 s ILE 44 Cb 0.00 -2.73 -0.02 0.00 -0.00 0.00 0.00 42.46 39.71 2k20 s ILE 44 CO 0.00 0.58 -0.15 -0.36 -0.00 0.00 0.00 174.94 175.00 2k20 s PHE 45 N -0.89 1.35 -0.42 1.37 0.08 -0.58 -0.91 117.98 117.98 2k20 s PHE 45 Ca 0.14 -0.30 -0.28 0.00 0.12 0.00 0.00 56.93 56.61 2k20 s PHE 45 Cb -0.11 -0.84 -0.08 0.00 -0.57 0.00 0.00 43.02 41.42 2k20 s PHE 45 CO 0.03 0.01 2.35 0.28 -0.10 0.00 0.00 175.22 177.79 2k20 n VAL 46 N 2.37 0.08 -0.04 -0.44 0.31 -0.64 -2.24 118.33 117.73 2k20 n VAL 46 Ca -0.16 -0.58 -0.16 0.00 -0.01 0.00 0.00 64.34 63.43 2k20 n VAL 46 Cb 0.55 -2.45 -0.07 0.00 -0.91 0.00 0.00 33.84 30.95 2k20 n VAL 46 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2k20 h LYS 47 N 16.89 0.59 -1.61 5.55 1.63 0.42 0.92 116.57 140.96 2k20 h LYS 47 Ca -0.28 -0.44 0.10 0.00 -0.85 0.00 0.00 60.65 59.17 2k20 h LYS 47 Cb 1.27 0.08 -0.26 0.00 -0.60 0.00 0.00 32.23 32.72 2k20 h LYS 47 CO 1.10 1.06 0.30 -1.54 -3.45 0.00 0.00 179.45 176.92 2k20 s SER 48 N -6.70 -0.60 -0.29 4.20 1.04 -0.87 -4.79 113.70 105.68 2k20 s SER 48 Ca -0.12 0.95 -0.16 0.00 0.48 0.00 0.00 55.95 57.10 2k20 s SER 48 Cb 0.07 1.27 -0.03 0.00 0.10 0.00 0.00 66.02 67.43 2k20 s SER 48 CO 0.84 -0.15 0.41 -0.63 0.98 0.00 0.00 173.24 174.69 2k20 s ILE 49 N 1.44 5.13 -0.38 -1.02 1.01 -1.26 0.10 121.20 126.22 2k20 s ILE 49 Ca -0.09 0.48 -0.31 0.00 0.00 0.00 0.00 60.65 60.73 2k20 s ILE 49 Cb -0.04 -3.78 -0.09 0.00 0.01 0.00 0.00 42.46 38.56 2k20 s ILE 49 CO -0.16 0.04 2.29 -0.38 0.00 0.00 0.00 174.94 176.73 2k20 n ILE 50 N 5.20 0.16 -1.53 2.92 -0.00 0.39 -4.79 119.36 121.71 2k20 n ILE 50 Ca -0.07 -0.43 -0.25 0.00 -0.00 0.00 0.00 62.75 62.00 2k20 n ILE 50 Cb 0.50 -2.12 -0.10 0.00 -0.00 0.00 0.00 39.64 37.93 2k20 n ILE 50 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.55 176.09 2k20 n ASN 51 N 11.86 1.86 0.00 4.38 6.94 -1.26 -1.05 115.26 137.99 2k20 n ASN 51 Ca 0.39 -2.56 0.00 0.00 -0.02 0.00 0.00 54.58 52.38 2k20 n ASN 51 Cb 0.36 -1.52 0.00 0.00 -2.36 0.00 0.00 39.78 36.26 2k20 n ASN 51 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k20 n GLY 52 N 5.76 0.55 0.84 4.83 0.00 -1.26 -5.08 105.19 110.82 2k20 n GLY 52 Ca 0.44 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.38 2k20 n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k20 n GLY 53 N 0.00 -2.80 0.32 -0.02 0.00 -0.21 -4.69 105.19 97.78 2k20 n GLY 53 Ca 0.00 -1.41 -0.07 0.00 0.00 0.00 0.00 46.02 44.54 2k20 n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k20 h ALA 54 N -2.23 0.98 -0.09 4.61 0.00 0.15 -1.72 119.26 120.95 2k20 h ALA 54 Ca -0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2k20 h ALA 54 Cb 0.31 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2k20 h ALA 54 CO 0.06 0.65 0.02 0.00 0.00 0.00 0.00 179.25 179.98 2k20 h ALA 55 N 1.12 0.12 -0.12 0.00 0.00 0.97 0.22 119.26 121.57 2k20 h ALA 55 Ca 0.21 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2k20 h ALA 55 Cb 0.40 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2k20 h ALA 55 CO 0.01 -0.24 -0.08 0.66 0.00 0.00 0.00 179.25 179.60 2k20 h SER 56 N -0.06 0.17 0.41 0.00 4.64 -1.71 -2.00 113.55 114.99 2k20 h SER 56 Ca 0.03 -0.02 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 2k20 h SER 56 Cb 0.26 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2k20 h SER 56 CO 0.00 0.28 -0.86 0.11 -0.87 0.00 0.00 176.83 175.49 2k20 h LYS 57 N 0.18 0.33 -0.04 4.77 1.57 -0.98 -3.11 116.57 119.29 2k20 h LYS 57 Ca 0.04 -0.33 0.01 0.00 -1.87 0.00 0.00 60.65 58.51 2k20 h LYS 57 Cb 0.26 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 2k20 h LYS 57 CO 0.01 1.01 0.03 0.22 -0.57 0.00 0.00 179.45 180.15 2k20 h ASP 58 N 0.20 0.00 -5.89 0.86 3.58 0.20 -3.46 116.42 111.91 2k20 h ASP 58 Ca -0.05 0.00 -0.41 0.00 0.42 0.00 0.00 57.03 56.99 2k20 h ASP 58 Cb 1.47 0.00 0.13 0.00 1.72 0.00 0.00 39.33 42.64 2k20 h ASP 58 CO 0.14 0.00 -0.69 0.61 -2.88 0.00 0.00 179.24 176.42 2k20 n GLY 59 N -1.44 -0.55 0.17 -0.78 0.00 -1.15 -4.84 105.19 96.59 2k20 n GLY 59 Ca -0.02 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2k20 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k20 n ARG 60 N -4.99 0.00 -0.56 1.61 1.74 -1.26 -5.10 116.66 108.09 2k20 n ARG 60 Ca 0.01 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.80 2k20 n ARG 60 Cb 0.56 -0.58 0.22 0.00 -1.02 0.00 0.00 32.46 31.64 2k20 n ARG 60 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2k20 n LEU 61 N -1.84 -0.64 -3.54 0.55 4.32 -1.26 -5.05 117.00 109.54 2k20 n LEU 61 Ca 0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 56.01 55.97 2k20 n LEU 61 Cb 0.13 -1.25 -0.04 0.00 -1.62 0.00 0.00 43.42 40.64 2k20 n LEU 61 CO 0.00 -3.08 0.32 -0.13 -1.22 0.00 0.00 177.39 173.28 2k20 s ARG 62 N -4.24 0.52 0.36 3.23 0.52 -1.26 -5.05 118.95 113.03 2k20 s ARG 62 Ca 0.66 1.25 -0.25 0.00 -0.52 0.00 0.00 55.73 56.87 2k20 s ARG 62 Cb -0.23 0.75 -0.13 0.00 0.52 0.00 0.00 34.95 35.86 2k20 s ARG 62 CO 0.64 -0.22 0.77 0.28 0.02 0.00 0.00 175.30 176.78 2k20 n VAL 63 N 5.36 2.00 -0.33 3.52 0.31 -1.26 -1.38 118.33 126.54 2k20 n VAL 63 Ca -0.10 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.73 2k20 n VAL 63 Cb 0.50 -0.74 0.00 0.00 -0.91 0.00 0.00 33.84 32.69 2k20 n VAL 63 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2k20 n ASN 64 N 1.18 0.00 -4.70 4.52 3.02 0.32 -4.90 115.26 114.70 2k20 n ASN 64 Ca 0.11 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.24 2k20 n ASN 64 Cb 0.36 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.50 2k20 n ASN 64 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2k20 s ASP 65 N -3.23 6.99 0.16 6.41 1.11 -0.48 -4.58 116.67 123.05 2k20 s ASP 65 Ca 0.00 2.01 -0.30 0.00 0.18 0.00 0.00 52.55 54.44 2k20 s ASP 65 Cb 0.00 -2.57 -0.07 0.00 1.07 0.00 0.00 42.92 41.35 2k20 s ASP 65 CO 0.00 -0.58 0.97 -1.58 1.18 0.00 0.00 175.17 175.15 2k20 s GLN 66 N 1.73 4.74 -0.04 8.23 0.74 -0.76 -1.63 119.66 132.68 2k20 s GLN 66 Ca 0.60 1.48 -0.21 0.00 0.05 0.00 0.00 55.36 57.29 2k20 s GLN 66 Cb -0.29 -3.34 -0.05 0.00 1.10 0.00 0.00 33.01 30.43 2k20 s GLN 66 CO 0.27 0.30 0.59 -0.51 -0.55 0.00 0.00 175.29 175.38 2k20 s LEU 67 N -0.40 4.37 -0.03 3.68 1.43 -0.09 0.27 118.68 127.91 2k20 s LEU 67 Ca 0.45 1.10 0.03 0.00 -1.03 0.00 0.00 54.13 54.68 2k20 s LEU 67 Cb -0.25 -2.91 -0.04 0.00 0.03 0.00 0.00 46.19 43.03 2k20 s LEU 67 CO 0.31 0.04 0.01 -0.38 0.23 0.00 0.00 176.35 176.56 2k20 n ILE 68 N 3.12 0.22 -3.43 -0.59 2.08 0.32 -4.59 119.36 116.48 2k20 n ILE 68 Ca -0.06 -0.14 -0.13 0.00 0.56 0.00 0.00 62.75 62.99 2k20 n ILE 68 Cb 0.51 -0.91 -0.02 0.00 -0.75 0.00 0.00 39.64 38.47 2k20 n ILE 68 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2k20 s ALA 69 N -2.08 -1.60 -0.10 -1.39 0.00 -0.44 -0.68 121.76 115.46 2k20 s ALA 69 Ca -0.02 0.56 -0.04 0.00 0.00 0.00 0.00 51.96 52.46 2k20 s ALA 69 Cb 0.01 0.80 0.05 0.00 0.00 0.00 0.00 23.12 23.98 2k20 s ALA 69 CO 0.13 -0.73 0.22 0.54 0.00 0.00 0.00 175.76 175.93 2k20 s VAL 70 N -3.50 -0.20 -1.73 0.00 0.11 -0.80 -0.18 120.40 114.10 2k20 s VAL 70 Ca -0.00 0.23 0.00 0.00 -2.93 0.00 0.00 61.98 59.28 2k20 s VAL 70 Cb -0.01 -0.37 0.00 0.00 -1.53 0.00 0.00 36.38 34.47 2k20 s VAL 70 CO -0.11 0.10 0.00 0.59 -3.33 0.00 0.00 175.10 172.35 2k20 n ASN 71 N 4.78 -5.46 0.00 3.54 3.02 0.52 -1.23 115.26 120.43 2k20 n ASN 71 Ca -0.16 0.40 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 2k20 n ASN 71 Cb 0.51 -4.39 0.00 0.00 -0.61 0.00 0.00 39.78 35.29 2k20 n ASN 71 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k20 n GLY 72 N -0.31 1.06 2.91 7.41 0.00 -1.26 -4.85 105.19 110.15 2k20 n GLY 72 Ca -0.16 -0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.14 2k20 n GLY 72 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k20 s GLU 73 N -1.58 1.24 0.33 1.61 2.02 -0.37 -5.11 118.70 116.84 2k20 s GLU 73 Ca 0.00 -1.51 -0.29 0.00 0.02 0.00 0.00 54.97 53.19 2k20 s GLU 73 Cb 0.00 -2.72 -0.11 0.00 0.10 0.00 0.00 34.13 31.40 2k20 s GLU 73 CO 0.00 -0.92 1.46 -1.54 0.02 0.00 0.00 175.26 174.28 2k20 s SER 74 N 1.20 6.49 -0.01 -0.19 1.04 -1.26 -1.91 113.70 119.05 2k20 s SER 74 Ca 0.09 2.89 0.17 0.00 0.48 0.00 0.00 55.95 59.58 2k20 s SER 74 Cb -0.18 -2.65 -0.23 0.00 0.10 0.00 0.00 66.02 63.05 2k20 s SER 74 CO -0.14 -0.78 0.50 0.18 0.98 0.00 0.00 173.24 173.98 2k20 n LEU 75 N 1.16 0.29 -4.54 2.42 4.77 0.14 -4.89 117.00 116.35 2k20 n LEU 75 Ca 0.03 -0.19 -0.15 0.00 -0.03 0.00 0.00 56.01 55.67 2k20 n LEU 75 Cb 0.40 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.38 2k20 n LEU 75 CO 0.62 0.07 1.41 -0.11 -1.33 0.00 0.00 177.39 178.05 2k20 n LEU 76 N -1.83 1.03 0.00 2.23 7.94 -1.25 -1.43 117.00 123.68 2k20 n LEU 76 Ca -0.01 -1.30 0.00 0.00 -1.11 0.00 0.00 56.01 53.59 2k20 n LEU 76 Cb 0.38 -1.40 0.00 0.00 0.53 0.00 0.00 43.42 42.92 2k20 n LEU 76 CO 0.35 -2.39 0.00 0.61 -1.11 0.00 0.00 177.39 174.85 2k20 n GLY 77 N 6.49 0.56 3.80 -3.96 0.00 -1.26 -5.15 105.19 105.67 2k20 n GLY 77 Ca 0.51 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.31 2k20 n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k20 s LYS 78 N 0.00 2.85 0.86 1.61 -2.85 -0.52 -5.10 119.74 116.60 2k20 s LYS 78 Ca 0.00 -1.08 -0.12 0.00 -1.00 0.00 0.00 55.97 53.78 2k20 s LYS 78 Cb 0.00 -2.53 0.12 0.00 -2.06 0.00 0.00 37.83 33.36 2k20 s LYS 78 CO 0.00 0.40 1.18 0.00 0.10 0.00 0.00 175.35 177.03 2k20 s ALA 79 N -2.12 1.64 0.12 0.59 0.00 -1.26 -4.64 121.76 116.09 2k20 s ALA 79 Ca 0.32 0.73 -0.30 0.00 0.00 0.00 0.00 51.96 52.71 2k20 s ALA 79 Cb -0.08 -3.48 -0.08 0.00 0.00 0.00 0.00 23.12 19.49 2k20 s ALA 79 CO 0.24 -2.56 1.58 -0.91 0.00 0.00 0.00 175.76 174.12 2k20 h ASN 80 N -1.41 -1.29 -0.97 0.00 2.35 -1.93 0.19 115.58 112.52 2k20 h ASN 80 Ca -0.45 0.16 0.20 0.00 -0.55 0.00 0.00 56.30 55.66 2k20 h ASN 80 Cb 1.28 0.51 -0.09 0.00 0.05 0.00 0.00 38.32 40.07 2k20 h ASN 80 CO 0.44 -0.46 0.61 0.06 -1.65 0.00 0.00 177.43 176.43 2k20 h GLN 81 N -0.57 0.60 -0.29 0.81 -0.00 -1.96 0.37 115.11 114.08 2k20 h GLN 81 Ca 0.05 -0.04 -0.16 0.00 -0.00 0.00 0.00 58.65 58.50 2k20 h GLN 81 Cb 0.65 -0.13 -0.00 0.00 -0.00 0.00 0.00 27.48 28.00 2k20 h GLN 81 CO -0.33 0.40 -0.46 0.93 -0.00 0.00 0.00 178.83 179.36 2k20 h GLU 82 N 0.62 0.82 0.00 0.06 5.08 -1.58 -1.43 114.58 118.16 2k20 h GLU 82 Ca 0.53 -0.50 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2k20 h GLU 82 Cb 1.02 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2k20 h GLU 82 CO -0.29 1.13 -0.00 0.00 -1.00 0.00 0.00 179.01 178.86 2k20 h ALA 83 N 0.68 -0.01 0.00 3.43 0.00 0.15 0.29 119.26 123.80 2k20 h ALA 83 Ca 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2k20 h ALA 83 Cb 1.07 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2k20 h ALA 83 CO 0.11 -0.34 -0.04 0.00 0.00 0.00 0.00 179.25 178.97 2k20 h MET 84 N -0.33 0.00 0.03 0.00 -0.00 -0.42 0.63 114.93 114.83 2k20 h MET 84 Ca -0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 59.70 59.48 2k20 h MET 84 Cb 0.33 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.92 2k20 h MET 84 CO 0.00 0.04 -0.97 1.49 -0.00 0.00 0.00 176.91 177.48 2k20 h GLU 85 N 0.00 0.25 -0.35 -0.10 4.81 -0.96 -0.55 114.58 117.68 2k20 h GLU 85 Ca -0.00 -0.30 -0.11 0.00 -0.13 0.00 0.00 59.36 58.81 2k20 h GLU 85 Cb 0.08 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2k20 h GLU 85 CO 0.01 1.04 -0.25 1.15 -0.73 0.00 0.00 179.01 180.22 2k20 h THR 86 N 0.12 1.27 0.05 0.32 2.02 0.15 -1.36 112.91 115.49 2k20 h THR 86 Ca -0.07 -1.36 -0.23 0.00 0.77 0.00 0.00 66.41 65.52 2k20 h THR 86 Cb 1.62 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 69.31 2k20 h THR 86 CO 0.15 0.45 -1.06 0.17 0.37 0.00 0.00 175.52 175.60 2k20 h LEU 87 N 0.61 0.30 -0.18 2.58 8.10 -0.96 -1.11 115.31 124.64 2k20 h LEU 87 Ca 0.08 -0.29 0.02 0.00 0.11 0.00 0.00 57.88 57.81 2k20 h LEU 87 Cb 0.75 -0.09 -0.02 0.00 -0.44 0.00 0.00 40.66 40.85 2k20 h LEU 87 CO 0.06 1.17 0.04 -0.09 -4.11 0.00 0.00 178.44 175.51 2k20 h ARG 88 N 0.08 0.12 -0.10 0.17 2.43 -0.82 1.02 114.38 117.28 2k20 h ARG 88 Ca -0.08 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 58.96 2k20 h ARG 88 Cb 1.75 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 31.28 2k20 h ARG 88 CO 0.16 0.08 -0.43 0.07 -1.51 0.00 0.00 179.97 178.34 2k20 h ARG 89 N 0.12 0.47 0.00 0.20 -0.00 -1.30 0.19 114.38 114.05 2k20 h ARG 89 Ca 0.08 -0.37 -0.03 0.00 -0.00 0.00 0.00 59.98 59.66 2k20 h ARG 89 Cb 0.07 0.07 -0.00 0.00 -0.00 0.00 0.00 29.97 30.11 2k20 h ARG 89 CO -0.10 1.00 -0.14 1.03 -0.00 0.00 0.00 179.97 181.75 2k20 h SER 90 N 0.04 0.00 0.75 0.08 0.87 -0.99 0.14 113.55 114.44 2k20 h SER 90 Ca -0.03 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.38 2k20 h SER 90 Cb 1.07 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.00 2k20 h SER 90 CO 0.09 0.14 -1.35 0.00 -0.53 0.00 0.00 176.83 175.18 2k20 h MET 91 N 0.00 0.00 -0.29 2.24 -0.00 0.11 1.16 114.93 118.15 2k20 h MET 91 Ca -0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 59.70 59.52 2k20 h MET 91 Cb 0.25 0.00 -0.12 0.00 -0.00 0.00 0.00 31.60 31.74 2k20 h MET 91 CO 0.02 0.27 -0.32 0.45 -0.00 0.00 0.00 176.91 177.33 2k20 n SER 92 N -2.88 2.68 0.00 -0.10 2.88 0.05 -3.91 113.62 112.33 2k20 n SER 92 Ca -0.08 -3.84 0.00 0.00 -1.33 0.00 0.00 58.87 53.62 2k20 n SER 92 Cb 0.81 -0.57 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 2k20 n SER 92 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2k20 n THR 93 N -1.06 0.00 -0.00 2.46 -1.04 0.44 -4.90 114.28 110.18 2k20 n THR 93 Ca 0.30 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.31 2k20 n THR 93 Cb 0.88 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 69.39 2k20 n THR 93 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2k20 n GLU 94 N -0.69 0.02 -0.13 -2.82 1.02 -1.12 -4.32 120.64 112.61 2k20 n GLU 94 Ca 0.00 0.01 0.28 0.00 -0.02 0.00 0.00 57.16 57.43 2k20 n GLU 94 Cb 0.00 -0.29 0.69 0.00 -0.02 0.00 0.00 31.44 31.82 2k20 n GLU 94 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2k20 h GLY 95 N -0.04 0.00 1.75 0.62 0.00 0.12 0.72 103.07 106.23 2k20 h GLY 95 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 2k20 h GLY 95 CO 0.00 0.00 -0.91 -0.57 0.00 0.00 0.00 176.54 175.06 2k20 h ASN 96 N 0.00 0.29 -0.98 0.19 -0.00 -1.74 0.23 115.58 113.56 2k20 h ASN 96 Ca 0.40 -0.24 0.38 0.00 -0.00 0.00 0.00 56.30 56.84 2k20 h ASN 96 Cb 1.88 -0.09 -0.18 0.00 -0.00 0.00 0.00 38.32 39.93 2k20 h ASN 96 CO -0.00 1.05 0.41 0.29 -0.00 0.00 0.00 177.43 179.18 2k20 n LYS 97 N -3.65 -0.06 -0.03 6.67 5.02 0.25 0.10 118.16 126.45 2k20 n LYS 97 Ca -0.04 1.38 -0.03 0.00 -2.02 0.00 0.00 58.31 57.60 2k20 n LYS 97 Cb 0.83 -2.41 -0.13 0.00 -0.02 0.00 0.00 35.03 33.29 2k20 n LYS 97 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2k20 n ARG 98 N -5.28 0.66 0.00 1.97 3.00 -1.24 -4.98 116.66 110.79 2k20 n ARG 98 Ca 0.34 0.07 0.00 0.00 -0.01 0.00 0.00 57.85 58.25 2k20 n ARG 98 Cb 1.15 -1.65 0.00 0.00 0.00 0.00 0.00 32.46 31.96 2k20 n ARG 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k20 n GLY 99 N 1.53 1.13 3.40 -0.13 0.00 0.28 -5.03 105.19 106.38 2k20 n GLY 99 Ca -0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 2k20 n GLY 99 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2k20 s MET 100 N 0.00 0.62 -0.04 1.61 0.23 0.78 0.25 119.30 122.75 2k20 s MET 100 Ca 0.00 0.61 0.02 0.00 -1.03 0.00 0.00 55.69 55.28 2k20 s MET 100 Cb 0.00 0.30 -0.03 0.00 -1.53 0.00 0.00 34.83 33.57 2k20 s MET 100 CO 0.00 -0.09 -0.06 -1.50 -2.03 0.00 0.00 175.02 171.34 2k20 s ILE 101 N 0.06 3.74 0.48 3.16 2.07 0.28 -4.40 121.20 126.60 2k20 s ILE 101 Ca -0.02 -0.57 -0.20 0.00 -1.41 0.00 0.00 60.65 58.45 2k20 s ILE 101 Cb -0.03 -2.57 -0.09 0.00 0.13 0.00 0.00 42.46 39.89 2k20 s ILE 101 CO 0.01 0.52 1.01 -1.58 -1.91 0.00 0.00 174.94 172.99 2k20 s GLN 102 N -1.06 3.90 -0.18 3.50 0.74 -1.26 -0.38 119.66 124.93 2k20 s GLN 102 Ca 0.14 1.26 -0.04 0.00 0.05 0.00 0.00 55.36 56.78 2k20 s GLN 102 Cb -0.11 -2.12 0.08 0.00 1.10 0.00 0.00 33.01 31.96 2k20 s GLN 102 CO 0.04 -0.33 0.20 -0.51 -0.55 0.00 0.00 175.29 174.14 2k20 s LEU 103 N -3.48 -0.05 -0.34 3.68 1.43 0.17 -0.35 118.68 119.74 2k20 s LEU 103 Ca 0.65 -0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 53.49 2k20 s LEU 103 Cb -0.14 0.29 0.01 0.00 0.03 0.00 0.00 46.19 46.38 2k20 s LEU 103 CO 0.19 -0.31 0.20 -0.63 0.23 0.00 0.00 176.35 176.03 2k20 s ILE 104 N 2.30 4.74 0.46 -0.59 1.01 0.75 0.14 121.20 130.01 2k20 s ILE 104 Ca 0.05 -0.56 0.04 0.00 0.00 0.00 0.00 60.65 60.18 2k20 s ILE 104 Cb -0.15 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 2k20 s ILE 104 CO -0.11 -0.08 0.02 0.68 0.00 0.00 0.00 174.94 175.45 2k20 s VAL 105 N 1.61 1.43 -0.07 2.92 -7.23 -0.24 0.12 120.40 118.94 2k20 s VAL 105 Ca 0.04 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.11 2k20 s VAL 105 Cb -0.18 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.28 2k20 s VAL 105 CO 0.07 0.00 0.26 0.00 -0.31 0.00 0.00 175.10 175.12 2k20 s ALA 106 N -2.86 -0.63 0.36 1.32 0.00 0.14 -0.05 121.76 120.04 2k20 s ALA 106 Ca 0.19 0.57 -0.13 0.00 0.00 0.00 0.00 51.96 52.59 2k20 s ALA 106 Cb 0.05 -0.28 0.05 0.00 0.00 0.00 0.00 23.12 22.94 2k20 s ALA 106 CO 0.10 -0.16 0.70 2.89 0.00 0.00 0.00 175.76 179.29 2k20 n ARG 107 N 2.49 1.01 -5.04 0.00 -4.01 -0.87 -1.82 116.66 108.42 2k20 n ARG 107 Ca -0.15 -2.05 -0.32 0.00 -1.04 0.00 0.00 57.85 54.28 2k20 n ARG 107 Cb 0.57 2.53 -0.14 0.00 -3.04 0.00 0.00 32.46 32.38 2k20 n ARG 107 CO 0.00 0.00 0.00 0.50 -3.04 0.00 0.00 177.63 175.09 2k20 s ARG 108 N -2.12 2.44 0.64 2.89 3.52 -1.26 -1.42 118.95 123.64 2k20 s ARG 108 Ca 0.15 -0.78 -0.12 0.00 -0.13 0.00 0.00 55.73 54.85 2k20 s ARG 108 Cb -0.04 -2.27 -0.02 0.00 -1.56 0.00 0.00 34.95 31.05 2k20 s ARG 108 CO 0.11 0.56 1.04 0.42 -0.81 0.00 0.00 175.30 176.63 2k20 s ILE 109 N -0.59 4.26 0.00 4.11 1.01 -0.04 -4.94 121.20 125.01 2k20 s ILE 109 Ca 0.08 0.81 0.00 0.00 0.00 0.00 0.00 60.65 61.55 2k20 s ILE 109 Cb -0.11 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.79 2k20 s ILE 109 CO 0.01 -0.88 0.00 -0.24 0.00 0.00 0.00 174.94 173.82