#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 -3.02 2.61 -2.24 -1.26 -5.02 114.28 105.35 2k20 n THR 8 Ca 0.00 -0.21 -0.39 0.00 -2.27 0.00 0.00 64.05 61.17 2k20 n THR 8 Cb 0.00 0.52 -0.06 0.00 -2.10 0.00 0.00 70.33 68.70 2k20 n THR 8 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2k20 s ARG 9 N 0.00 4.49 0.04 -0.78 1.81 -1.26 0.64 118.95 123.89 2k20 s ARG 9 Ca 0.07 1.06 -0.18 0.00 -1.72 0.00 0.00 55.73 54.96 2k20 s ARG 9 Cb 0.08 -3.31 0.03 0.00 -0.45 0.00 0.00 34.95 31.31 2k20 s ARG 9 CO -0.04 0.45 0.40 -1.83 -0.68 0.00 0.00 175.30 173.60 2k20 s GLU 10 N -0.64 0.90 0.22 3.54 -1.05 -0.67 -4.96 118.70 116.04 2k20 s GLU 10 Ca 0.36 -0.36 -0.08 0.00 -0.15 0.00 0.00 54.97 54.73 2k20 s GLU 10 Cb -0.21 0.40 -0.07 0.00 -0.44 0.00 0.00 34.13 33.81 2k20 s GLU 10 CO 0.24 -0.31 0.52 -0.06 0.95 0.00 0.00 175.26 176.60 2k20 s PHE 11 N -2.42 3.44 -0.13 4.83 0.40 -1.26 -2.04 117.98 120.79 2k20 s PHE 11 Ca -0.06 0.80 -0.04 0.00 -0.60 0.00 0.00 56.93 57.04 2k20 s PHE 11 Cb -0.01 -2.20 0.05 0.00 0.51 0.00 0.00 43.02 41.37 2k20 s PHE 11 CO -0.02 0.29 0.07 -0.51 0.70 0.00 0.00 175.22 175.75 2k20 s LEU 12 N -2.84 0.39 -0.16 -0.37 1.43 0.40 -4.95 118.68 112.59 2k20 s LEU 12 Ca 0.46 -0.43 -0.10 0.00 -1.03 0.00 0.00 54.13 53.03 2k20 s LEU 12 Cb -0.11 -0.26 -0.05 0.00 0.03 0.00 0.00 46.19 45.80 2k20 s LEU 12 CO 0.22 -0.31 0.18 -0.89 0.23 0.00 0.00 176.35 175.78 2k20 s THR 13 N 2.11 5.40 0.24 5.49 2.01 -1.26 -0.43 115.64 129.20 2k20 s THR 13 Ca 0.03 0.30 -0.00 0.00 0.31 0.00 0.00 61.69 62.33 2k20 s THR 13 Cb -0.15 -3.50 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 2k20 s THR 13 CO -0.07 0.49 0.22 -0.36 -0.69 0.00 0.00 174.62 174.21 2k20 s PHE 14 N -0.11 1.22 -0.23 4.92 0.08 0.22 -4.94 117.98 119.14 2k20 s PHE 14 Ca 0.13 -1.38 -0.00 0.00 0.12 0.00 0.00 56.93 55.79 2k20 s PHE 14 Cb -0.12 -0.50 0.06 0.00 -0.57 0.00 0.00 43.02 41.89 2k20 s PHE 14 CO 0.02 -0.76 -0.02 -1.21 -0.10 0.00 0.00 175.22 173.15 2k20 s GLU 15 N -3.91 1.29 -0.39 0.44 8.01 -1.26 0.38 118.70 123.26 2k20 s GLU 15 Ca 0.37 -0.83 -0.11 0.00 0.01 0.00 0.00 54.97 54.41 2k20 s GLU 15 Cb 0.05 -2.43 0.04 0.00 -4.31 0.00 0.00 34.13 27.47 2k20 s GLU 15 CO 0.16 -0.63 0.22 0.08 0.01 0.00 0.00 175.26 175.10 2k20 s VAL 16 N 1.54 4.56 -0.07 2.63 1.01 0.12 -4.90 120.40 125.28 2k20 s VAL 16 Ca -0.04 -0.95 -0.28 0.00 0.00 0.00 0.00 61.98 60.71 2k20 s VAL 16 Cb -0.18 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 2k20 s VAL 16 CO -0.07 -0.29 0.93 -2.16 0.00 0.00 0.00 175.10 173.51 2k20 s PRO 17 N 1.54 4.46 -0.19 2.72 0.04 -1.26 -0.82 135.00 141.50 2k20 s PRO 17 Ca 0.02 1.28 0.12 0.00 0.04 0.00 0.00 61.00 62.47 2k20 s PRO 17 Cb -0.20 -3.50 0.41 0.00 0.04 0.00 0.00 34.50 31.25 2k20 s PRO 17 CO 0.06 -0.16 1.21 1.47 0.04 0.00 0.00 177.00 179.62 2k20 n LEU 18 N 4.43 2.57 -0.59 -3.56 -0.00 -0.51 -4.54 117.00 114.79 2k20 n LEU 18 Ca 0.06 -3.72 0.45 0.00 -0.00 0.00 0.00 56.01 52.80 2k20 n LEU 18 Cb 0.50 -0.49 0.71 0.00 -0.00 0.00 0.00 43.42 44.14 2k20 n LEU 18 CO 0.51 1.29 1.28 -0.46 -0.00 0.00 0.00 177.39 180.01 2k20 n ASN 19 N -1.05 0.04 -0.04 1.45 6.94 -1.22 0.13 115.26 121.51 2k20 n ASN 19 Ca 0.18 0.97 -0.05 0.00 -0.02 0.00 0.00 54.58 55.67 2k20 n ASN 19 Cb 0.71 -0.48 -0.05 0.00 -2.36 0.00 0.00 39.78 37.60 2k20 n ASN 19 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2k20 n ASP 20 N -3.90 3.26 0.00 0.53 8.00 -1.26 -4.51 116.55 118.66 2k20 n ASP 20 Ca 0.39 -0.02 0.07 0.00 0.71 0.00 0.00 54.79 55.94 2k20 n ASP 20 Cb 1.73 0.37 0.30 0.00 -0.02 0.00 0.00 41.12 43.50 2k20 n ASP 20 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2k20 n SER 21 N -2.45 0.00 -0.33 -2.24 2.88 0.76 -3.44 113.62 108.79 2k20 n SER 21 Ca -0.13 0.49 0.36 0.00 -1.33 0.00 0.00 58.87 58.25 2k20 n SER 21 Cb 0.71 -0.49 0.71 0.00 -0.75 0.00 0.00 64.21 64.39 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 2.44 0.00 1.33 0.46 0.00 0.89 1.20 103.07 109.39 2k20 h GLY 22 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.04 2k20 h GLY 22 CO 0.00 0.00 -1.46 0.23 0.00 0.00 0.00 176.54 175.31 2k20 h SER 23 N 0.00 0.36 1.36 0.19 0.87 -1.83 -3.32 113.55 111.18 2k20 h SER 23 Ca 0.58 -0.48 -0.10 0.00 -1.23 0.00 0.00 61.79 60.56 2k20 h SER 23 Cb 2.56 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 64.39 2k20 h SER 23 CO -0.01 1.39 -0.66 0.00 -0.53 0.00 0.00 176.83 177.03 2k20 h ALA 24 N 0.55 0.69 0.00 6.23 0.00 0.28 -3.48 119.26 123.53 2k20 h ALA 24 Ca -0.21 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2k20 h ALA 24 Cb 2.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.79 2k20 h ALA 24 CO 0.16 0.59 0.00 0.41 0.00 0.00 0.00 179.25 180.42 2k20 n GLY 25 N 1.24 3.31 0.00 0.00 0.00 0.34 -4.59 105.19 105.50 2k20 n GLY 25 Ca -0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.23 -4.63 117.00 120.06 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 1.55 3.40 -3.96 0.00 -1.26 0.19 105.19 105.10 2k20 n GLY 27 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.03 -0.16 1.61 -7.23 -1.26 0.15 120.40 111.53 2k20 s VAL 28 Ca 0.00 -0.21 0.01 0.00 -1.81 0.00 0.00 61.98 59.96 2k20 s VAL 28 Cb 0.00 -1.02 0.00 0.00 0.56 0.00 0.00 36.38 35.92 2k20 s VAL 28 CO 0.00 -0.12 -0.17 -0.44 -0.31 0.00 0.00 175.10 174.06 2k20 s SER 29 N -2.31 3.46 0.15 4.85 0.01 0.20 -4.87 113.70 115.19 2k20 s SER 29 Ca -0.02 -0.53 0.05 0.00 1.31 0.00 0.00 55.95 56.76 2k20 s SER 29 Cb -0.00 -1.53 -0.04 0.00 0.21 0.00 0.00 66.02 64.66 2k20 s SER 29 CO -0.06 0.06 0.10 0.68 0.41 0.00 0.00 173.24 174.42 2k20 s VAL 30 N 0.95 4.34 -0.18 3.43 -7.23 -1.26 0.17 120.40 120.62 2k20 s VAL 30 Ca -0.03 -1.09 -0.11 0.00 -1.81 0.00 0.00 61.98 58.93 2k20 s VAL 30 Cb -0.15 -3.19 0.06 0.00 0.56 0.00 0.00 36.38 33.66 2k20 s VAL 30 CO -0.03 -0.07 0.44 -1.59 -0.31 0.00 0.00 175.10 173.54 2k20 s LYS 31 N -2.94 0.45 0.15 4.82 0.00 -0.80 -4.79 119.74 116.63 2k20 s LYS 31 Ca 0.30 0.79 0.06 0.00 0.00 0.00 0.00 55.97 57.11 2k20 s LYS 31 Cb -0.10 0.05 -0.04 0.00 0.00 0.00 0.00 37.83 37.74 2k20 s LYS 31 CO 0.22 -0.14 0.07 0.20 0.00 0.00 0.00 175.35 175.71 2k20 s GLY 32 N 1.16 1.76 0.53 0.59 0.00 -1.26 -0.13 107.32 109.97 2k20 s GLY 32 Ca -0.07 -1.24 0.06 0.00 0.00 0.00 0.00 44.72 43.47 2k20 s GLY 32 CO -0.10 -1.25 0.50 1.16 0.00 0.00 0.00 173.10 173.42 2k20 n ASN 33 N -0.12 2.45 -3.84 1.64 6.94 -0.84 -4.95 115.26 116.54 2k20 n ASN 33 Ca -0.09 -2.68 -0.20 0.00 -0.02 0.00 0.00 54.58 51.59 2k20 n ASN 33 Cb 0.54 -0.15 -0.17 0.00 -2.36 0.00 0.00 39.78 37.64 2k20 n ASN 33 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 2k20 s ARG 34 N -4.24 0.59 0.09 -3.83 3.52 -1.26 -1.88 118.95 111.93 2k20 s ARG 34 Ca 0.38 0.01 -0.32 0.00 -0.13 0.00 0.00 55.73 55.67 2k20 s ARG 34 Cb -0.03 -0.74 -0.17 0.00 -1.56 0.00 0.00 34.95 32.45 2k20 s ARG 34 CO 0.24 -0.15 0.76 0.45 -0.81 0.00 0.00 175.30 175.79 2k20 n SER 35 N 4.32 -0.55 -0.01 -2.12 2.88 0.29 -4.84 113.62 113.60 2k20 n SER 35 Ca -0.21 1.07 -0.04 0.00 -1.33 0.00 0.00 58.87 58.35 2k20 n SER 35 Cb 0.50 -0.87 0.19 0.00 -0.75 0.00 0.00 64.21 63.28 2k20 n SER 35 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2k20 h LYS 36 N 1.92 0.54 0.23 -1.46 1.63 -2.00 -3.28 116.57 114.16 2k20 h LYS 36 Ca -0.37 -0.20 -0.01 0.00 -0.85 0.00 0.00 60.65 59.22 2k20 h LYS 36 Cb 1.33 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.93 2k20 h LYS 36 CO 0.57 0.73 -0.11 0.93 -3.45 0.00 0.00 179.45 178.12 2k20 h GLU 37 N 0.48 -0.30 -6.15 1.90 5.08 -1.98 -3.47 114.58 110.13 2k20 h GLU 37 Ca 0.07 0.02 -0.61 0.00 -1.00 0.00 0.00 59.36 57.85 2k20 h GLU 37 Cb 0.65 0.07 -0.13 0.00 0.50 0.00 0.00 28.75 29.84 2k20 h GLU 37 CO 0.05 -0.02 -0.73 0.54 -1.00 0.00 0.00 179.01 177.85 2k20 s ASN 38 N -5.28 3.72 -1.42 1.42 2.20 -1.24 -5.03 114.94 109.31 2k20 s ASN 38 Ca -0.09 -1.03 -0.10 0.00 -0.94 0.00 0.00 52.86 50.70 2k20 s ASN 38 Cb 0.00 -0.36 -0.07 0.00 -2.00 0.00 0.00 41.25 38.82 2k20 s ASN 38 CO 0.32 -0.02 2.64 1.41 -2.94 0.00 0.00 177.10 178.51 2k20 n HIS 39 N -0.69 2.35 -4.74 1.54 8.25 -1.26 -3.49 115.22 117.19 2k20 n HIS 39 Ca -0.05 -2.80 -0.31 0.00 -0.26 0.00 0.00 57.72 54.30 2k20 n HIS 39 Cb 0.61 -2.31 -0.17 0.00 1.12 0.00 0.00 29.99 29.24 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 2.70 1.99 0.22 -1.41 0.00 -1.26 -4.92 121.76 119.07 2k20 s ALA 40 Ca 0.60 -0.90 -0.31 0.00 0.00 0.00 0.00 51.96 51.34 2k20 s ALA 40 Cb 0.16 -0.87 -0.11 0.00 0.00 0.00 0.00 23.12 22.30 2k20 s ALA 40 CO -0.05 0.05 1.64 0.16 0.00 0.00 0.00 175.76 177.56 2k20 s ASP 41 N 0.74 6.44 0.10 0.00 -4.77 -1.26 0.11 116.67 118.02 2k20 s ASP 41 Ca -0.10 2.82 0.18 0.00 -3.30 0.00 0.00 52.55 52.14 2k20 s ASP 41 Cb -0.16 -2.61 -0.10 0.00 -1.09 0.00 0.00 42.92 38.97 2k20 s ASP 41 CO 0.01 -0.91 0.90 -0.07 0.70 0.00 0.00 175.17 175.80 2k20 h LEU 42 N 6.25 0.00 0.00 2.11 3.38 -1.72 -3.45 115.31 121.88 2k20 h LEU 42 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2k20 h LEU 42 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2k20 h LEU 42 CO 0.90 0.46 0.00 0.61 0.09 0.00 0.00 178.44 180.50 2k20 n GLY 43 N 1.34 3.21 3.84 0.83 0.00 -1.26 -4.98 105.19 108.18 2k20 n GLY 43 Ca -0.07 -1.72 -0.36 0.00 0.00 0.00 0.00 46.02 43.87 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 -2.00 5.27 0.02 -0.61 -0.00 -1.26 -1.98 121.20 120.64 2k20 s ILE 44 Ca 0.00 0.09 0.06 0.00 -0.00 0.00 0.00 60.65 60.80 2k20 s ILE 44 Cb 0.00 -3.29 -0.02 0.00 -0.00 0.00 0.00 42.46 39.15 2k20 s ILE 44 CO 0.00 0.60 -0.18 -0.36 -0.00 0.00 0.00 174.94 174.99 2k20 s PHE 45 N -1.02 1.62 -0.43 1.37 0.40 0.81 0.28 117.98 121.00 2k20 s PHE 45 Ca 0.16 -0.34 -0.30 0.00 -0.60 0.00 0.00 56.93 55.85 2k20 s PHE 45 Cb -0.12 -0.99 -0.09 0.00 0.51 0.00 0.00 43.02 42.33 2k20 s PHE 45 CO 0.05 0.04 2.34 0.28 0.70 0.00 0.00 175.22 178.62 2k20 n VAL 46 N 2.17 0.11 -0.04 -0.44 0.31 -0.61 -1.90 118.33 117.93 2k20 n VAL 46 Ca -0.16 -0.48 -0.15 0.00 -0.01 0.00 0.00 64.34 63.53 2k20 n VAL 46 Cb 0.54 -2.18 -0.08 0.00 -0.91 0.00 0.00 33.84 31.21 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 15.65 0.54 -1.66 5.55 1.63 0.14 0.50 116.57 138.91 2k20 h LYS 47 Ca -0.27 -0.40 0.09 0.00 -0.85 0.00 0.00 60.65 59.22 2k20 h LYS 47 Cb 1.28 0.07 -0.23 0.00 -0.60 0.00 0.00 32.23 32.75 2k20 h LYS 47 CO 1.09 1.02 0.16 -1.12 -3.45 0.00 0.00 179.45 177.15 2k20 s SER 48 N -6.61 -0.76 -0.28 4.20 0.01 -0.88 -4.81 113.70 104.57 2k20 s SER 48 Ca -0.13 1.15 -0.19 0.00 1.31 0.00 0.00 55.95 58.10 2k20 s SER 48 Cb 0.06 1.53 -0.02 0.00 0.21 0.00 0.00 66.02 67.80 2k20 s SER 48 CO 0.82 -0.17 0.55 -0.63 0.41 0.00 0.00 173.24 174.21 2k20 s ILE 49 N 1.89 5.03 -0.49 1.44 1.01 -1.26 0.59 121.20 129.41 2k20 s ILE 49 Ca -0.08 0.85 -0.27 0.00 0.00 0.00 0.00 60.65 61.16 2k20 s ILE 49 Cb -0.06 -3.88 -0.08 0.00 0.01 0.00 0.00 42.46 38.45 2k20 s ILE 49 CO -0.18 0.01 2.41 -0.38 0.00 0.00 0.00 174.94 176.81 2k20 n ILE 50 N 5.23 -0.04 -1.58 2.92 -0.00 0.39 -4.81 119.36 121.48 2k20 n ILE 50 Ca -0.03 -0.73 -0.14 0.00 -0.00 0.00 0.00 62.75 61.85 2k20 n ILE 50 Cb 0.49 -2.66 -0.12 0.00 -0.00 0.00 0.00 39.64 37.36 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 15.24 1.35 0.00 4.38 0.23 -1.26 -0.66 115.26 134.53 2k20 n ASN 51 Ca 0.38 -2.42 0.00 0.00 -0.53 0.00 0.00 54.58 52.01 2k20 n ASN 51 Cb 0.51 -1.73 0.00 0.00 -2.08 0.00 0.00 39.78 36.48 2k20 n ASN 51 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k20 n GLY 52 N 6.18 0.89 1.66 4.83 0.00 -1.26 -5.08 105.19 112.42 2k20 n GLY 52 Ca 0.41 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 46.27 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 -3.43 0.28 -0.02 0.00 0.16 -4.64 105.19 97.53 2k20 n GLY 53 Ca 0.00 -1.33 -0.03 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.68 1.16 -0.19 4.61 0.00 0.18 -1.74 119.26 120.60 2k20 h ALA 54 Ca -0.20 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 2k20 h ALA 54 Cb 0.66 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2k20 h ALA 54 CO 0.13 0.54 -0.11 0.00 0.00 0.00 0.00 179.25 179.80 2k20 h ALA 55 N 1.32 0.27 0.00 0.00 0.00 0.11 -1.36 119.26 119.59 2k20 h ALA 55 Ca 0.13 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 2k20 h ALA 55 Cb 0.45 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2k20 h ALA 55 CO 0.02 0.11 -0.33 1.03 0.00 0.00 0.00 179.25 180.09 2k20 h SER 56 N 0.09 0.00 0.42 0.00 0.87 -1.72 -2.40 113.55 110.80 2k20 h SER 56 Ca 0.04 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.44 2k20 h SER 56 Cb 0.61 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.56 2k20 h SER 56 CO 0.03 0.33 -0.66 0.11 -0.53 0.00 0.00 176.83 176.11 2k20 h LYS 57 N 0.00 0.22 -0.25 2.24 1.57 -1.16 -3.01 116.57 116.19 2k20 h LYS 57 Ca -0.00 -0.17 0.07 0.00 -1.87 0.00 0.00 60.65 58.68 2k20 h LYS 57 Cb 0.58 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 2k20 h LYS 57 CO 0.04 0.80 0.18 0.22 -0.57 0.00 0.00 179.45 180.12 2k20 h ASP 58 N 0.16 0.00 -0.30 0.86 3.58 -0.71 -3.46 116.42 116.55 2k20 h ASP 58 Ca -0.01 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.31 2k20 h ASP 58 Cb 1.18 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.18 2k20 h ASP 58 CO 0.10 0.00 -0.12 0.61 -2.88 0.00 0.00 179.24 176.95 2k20 n GLY 59 N -1.58 0.84 0.00 -0.78 0.00 -1.14 -4.82 105.19 97.71 2k20 n GLY 59 Ca 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.26 0.35 -3.47 1.61 1.74 -1.26 -5.03 116.66 108.34 2k20 n ARG 60 Ca -0.06 -0.22 -0.38 0.00 -0.77 0.00 0.00 57.85 56.42 2k20 n ARG 60 Cb 0.28 -0.68 -0.08 0.00 -1.02 0.00 0.00 32.46 30.96 2k20 n ARG 60 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2k20 s LEU 61 N -0.23 4.14 -0.01 0.55 1.02 -1.26 -5.05 118.68 117.84 2k20 s LEU 61 Ca 0.00 0.39 0.05 0.00 0.02 0.00 0.00 54.13 54.59 2k20 s LEU 61 Cb 0.00 -2.39 -0.01 0.00 0.02 0.00 0.00 46.19 43.81 2k20 s LEU 61 CO 0.00 -0.04 -0.15 0.00 0.02 0.00 0.00 176.35 176.18 2k20 s ARG 62 N 1.26 1.19 0.66 1.70 3.03 -1.26 -4.87 118.95 120.66 2k20 s ARG 62 Ca 0.16 -0.54 -0.18 0.00 2.03 0.00 0.00 55.73 57.20 2k20 s ARG 62 Cb -0.14 -1.15 -0.00 0.00 -1.03 0.00 0.00 34.95 32.62 2k20 s ARG 62 CO 0.07 0.32 1.26 0.08 -1.13 0.00 0.00 175.30 175.90 2k20 s VAL 63 N -0.37 2.17 0.00 4.99 1.01 -1.26 -3.01 120.40 123.93 2k20 s VAL 63 Ca 0.06 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.14 2k20 s VAL 63 Cb -0.06 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.36 2k20 s VAL 63 CO -0.00 -0.03 0.00 0.59 0.00 0.00 0.00 175.10 175.66 2k20 n ASN 64 N -2.03 -0.84 -4.64 3.32 3.02 0.17 -4.90 115.26 109.37 2k20 n ASN 64 Ca 0.15 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.27 2k20 n ASN 64 Cb 0.49 -0.14 -0.02 0.00 -0.61 0.00 0.00 39.78 39.49 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 -2.66 6.94 -0.30 6.41 1.11 -1.16 -4.63 116.67 122.38 2k20 s ASP 65 Ca 0.00 1.10 -0.29 0.00 0.18 0.00 0.00 52.55 53.54 2k20 s ASP 65 Cb 0.00 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 41.47 2k20 s ASP 65 CO 0.00 -0.77 1.31 -1.58 1.18 0.00 0.00 175.17 175.31 2k20 s GLN 66 N 3.39 3.91 0.66 8.23 -0.44 -0.65 -1.58 119.66 133.19 2k20 s GLN 66 Ca 0.43 1.25 -0.17 0.00 -2.50 0.00 0.00 55.36 54.37 2k20 s GLN 66 Cb -0.13 -3.88 0.00 0.00 -1.64 0.00 0.00 33.01 27.36 2k20 s GLN 66 CO 0.12 -1.12 1.22 -0.51 0.50 0.00 0.00 175.29 175.49 2k20 s LEU 67 N 4.39 3.49 0.00 3.68 1.43 0.14 0.34 118.68 132.15 2k20 s LEU 67 Ca 0.56 2.40 0.00 0.00 -1.03 0.00 0.00 54.13 56.06 2k20 s LEU 67 Cb -0.17 -4.60 0.00 0.00 0.03 0.00 0.00 46.19 41.46 2k20 s LEU 67 CO 0.23 -1.96 0.00 -0.38 0.23 0.00 0.00 176.35 174.47 2k20 n ILE 68 N -2.17 0.00 -3.91 -0.59 5.41 0.30 -4.56 119.36 113.84 2k20 n ILE 68 Ca 0.14 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.79 2k20 n ILE 68 Cb 0.50 -0.29 -0.10 0.00 -0.71 0.00 0.00 39.64 39.03 2k20 n ILE 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k20 s ALA 69 N -1.47 -0.15 -0.09 -1.39 0.00 -0.93 -0.06 121.76 117.67 2k20 s ALA 69 Ca 0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 51.96 51.58 2k20 s ALA 69 Cb 0.00 0.15 0.04 0.00 0.00 0.00 0.00 23.12 23.31 2k20 s ALA 69 CO 0.00 -0.22 0.09 0.54 0.00 0.00 0.00 175.76 176.17 2k20 s VAL 70 N -1.66 -0.13 -1.17 0.00 0.11 -0.64 -0.86 120.40 116.06 2k20 s VAL 70 Ca -0.13 0.20 -0.07 0.00 -2.93 0.00 0.00 61.98 59.06 2k20 s VAL 70 Cb -0.07 -0.33 -0.02 0.00 -1.53 0.00 0.00 36.38 34.43 2k20 s VAL 70 CO -0.00 0.01 0.83 0.59 -3.33 0.00 0.00 175.10 173.20 2k20 n ASN 71 N 5.30 -3.94 -1.34 3.54 3.02 -0.16 -1.20 115.26 120.48 2k20 n ASN 71 Ca -0.05 -0.80 -0.17 0.00 -0.03 0.00 0.00 54.58 53.53 2k20 n ASN 71 Cb 0.50 -4.42 -0.07 0.00 -0.61 0.00 0.00 39.78 35.17 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 -1.43 1.68 2.98 7.41 0.00 -1.26 -4.92 105.19 109.65 2k20 n GLY 72 Ca -0.18 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.47 2.20 -0.03 1.61 2.02 -0.34 -5.07 118.70 115.63 2k20 s GLU 73 Ca 0.00 -2.71 -0.30 0.00 0.02 0.00 0.00 54.97 51.98 2k20 s GLU 73 Cb 0.00 -3.44 -0.07 0.00 0.10 0.00 0.00 34.13 30.72 2k20 s GLU 73 CO 0.00 -1.15 1.92 -1.12 0.02 0.00 0.00 175.26 174.93 2k20 s SER 74 N -0.22 6.36 0.33 -0.19 0.01 -1.26 -1.62 113.70 117.12 2k20 s SER 74 Ca 0.18 2.43 0.26 0.00 1.31 0.00 0.00 55.95 60.14 2k20 s SER 74 Cb -0.22 -2.53 0.96 0.00 0.21 0.00 0.00 66.02 64.44 2k20 s SER 74 CO -0.03 -1.16 1.78 -0.07 0.41 0.00 0.00 173.24 174.17 2k20 h LEU 75 N 11.18 0.00 -8.25 2.44 3.38 -0.83 -3.43 115.31 119.79 2k20 h LEU 75 Ca -0.46 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.34 2k20 h LEU 75 Cb 1.22 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 2k20 h LEU 75 CO 0.95 0.00 0.83 -0.11 0.09 0.00 0.00 178.44 180.20 2k20 n LEU 76 N -2.54 0.86 0.00 1.67 7.94 -1.22 -1.22 117.00 122.49 2k20 n LEU 76 Ca 0.03 -1.05 0.00 0.00 -1.11 0.00 0.00 56.01 53.88 2k20 n LEU 76 Cb 0.33 -1.30 0.00 0.00 0.53 0.00 0.00 43.42 42.98 2k20 n LEU 76 CO 0.26 -2.10 0.00 0.61 -1.11 0.00 0.00 177.39 175.04 2k20 n GLY 77 N 6.35 0.79 3.78 -3.96 0.00 -1.26 -5.14 105.19 105.75 2k20 n GLY 77 Ca 0.53 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.28 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 2.83 0.82 1.61 -2.85 -0.36 -5.09 119.74 116.71 2k20 s LYS 78 Ca 0.00 -0.90 -0.14 0.00 -1.00 0.00 0.00 55.97 53.93 2k20 s LYS 78 Cb 0.00 -2.61 0.02 0.00 -2.06 0.00 0.00 37.83 33.19 2k20 s LYS 78 CO 0.00 0.48 0.71 0.00 0.10 0.00 0.00 175.35 176.64 2k20 n ALA 79 N -0.28 -1.38 -0.29 0.59 0.00 -1.26 -4.58 120.51 113.30 2k20 n ALA 79 Ca -0.08 -0.39 0.05 0.00 0.00 0.00 0.00 53.44 53.02 2k20 n ALA 79 Cb 0.55 -1.96 0.19 0.00 0.00 0.00 0.00 19.45 18.23 2k20 n ALA 79 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2k20 h ASN 80 N -0.92 0.61 -0.42 0.00 7.08 -1.90 0.24 115.58 120.26 2k20 h ASN 80 Ca -0.45 0.07 -0.10 0.00 -3.08 0.00 0.00 56.30 52.74 2k20 h ASN 80 Cb 1.31 -0.04 -0.02 0.00 -2.08 0.00 0.00 38.32 37.49 2k20 h ASN 80 CO 0.41 0.31 -0.08 0.06 -2.08 0.00 0.00 177.43 176.05 2k20 h GLN 81 N 0.71 0.87 -0.13 4.14 -0.00 -1.96 -1.18 115.11 117.57 2k20 h GLN 81 Ca 0.43 -0.29 -0.12 0.00 -0.00 0.00 0.00 58.65 58.67 2k20 h GLN 81 Cb 0.49 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.48 27.89 2k20 h GLN 81 CO -0.30 0.92 -0.45 0.93 -0.00 0.00 0.00 178.83 179.93 2k20 h GLU 82 N 0.78 0.30 -0.14 0.06 4.39 -1.50 -2.00 114.58 116.47 2k20 h GLU 82 Ca 0.13 -0.16 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 2k20 h GLU 82 Cb 0.59 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2k20 h GLU 82 CO 0.04 0.70 -0.10 0.00 -1.16 0.00 0.00 179.01 178.48 2k20 h ALA 83 N 1.28 0.20 -0.16 3.43 0.00 -0.23 0.41 119.26 124.20 2k20 h ALA 83 Ca 0.02 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 2k20 h ALA 83 Cb 0.89 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2k20 h ALA 83 CO 0.07 0.04 -0.07 0.00 0.00 0.00 0.00 179.25 179.30 2k20 h MET 84 N -0.04 0.24 0.05 0.00 -0.00 -1.16 0.13 114.93 114.15 2k20 h MET 84 Ca 0.03 -0.04 -0.24 0.00 -0.00 0.00 0.00 59.70 59.44 2k20 h MET 84 Cb 0.61 -0.04 -0.02 0.00 -0.00 0.00 0.00 31.60 32.15 2k20 h MET 84 CO 0.03 0.32 -1.13 1.05 -0.00 0.00 0.00 176.91 177.18 2k20 h GLU 85 N 0.23 0.11 -0.29 -0.10 4.11 -1.23 -1.57 114.58 115.84 2k20 h GLU 85 Ca 0.05 -0.19 -0.12 0.00 0.07 0.00 0.00 59.36 59.17 2k20 h GLU 85 Cb 0.28 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2k20 h GLU 85 CO 0.01 1.07 -0.33 1.15 0.07 0.00 0.00 179.01 180.99 2k20 h THR 86 N 0.03 1.28 0.08 -1.06 2.02 0.72 -1.01 112.91 114.98 2k20 h THR 86 Ca -0.07 -1.46 -0.26 0.00 0.77 0.00 0.00 66.41 65.39 2k20 h THR 86 Cb 1.86 1.42 0.00 0.00 -1.74 0.00 0.00 68.15 69.69 2k20 h THR 86 CO 0.16 0.47 -1.13 0.17 0.37 0.00 0.00 175.52 175.56 2k20 h LEU 87 N 0.54 0.45 -0.15 2.58 8.10 -0.82 -0.98 115.31 125.03 2k20 h LEU 87 Ca 0.06 -0.43 0.00 0.00 0.11 0.00 0.00 57.88 57.62 2k20 h LEU 87 Cb 0.83 -0.14 -0.01 0.00 -0.44 0.00 0.00 40.66 40.90 2k20 h LEU 87 CO 0.07 1.29 0.10 -0.09 -4.11 0.00 0.00 178.44 175.70 2k20 h ARG 88 N 0.12 0.19 -0.15 0.17 2.43 -1.10 0.56 114.38 116.61 2k20 h ARG 88 Ca -0.11 -0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 58.88 2k20 h ARG 88 Cb 1.83 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 31.34 2k20 h ARG 88 CO 0.19 0.13 -0.55 0.07 -1.51 0.00 0.00 179.97 178.30 2k20 h ARG 89 N 0.20 0.64 0.00 0.20 -0.00 -1.25 -1.52 114.38 112.64 2k20 h ARG 89 Ca 0.05 -0.48 -0.03 0.00 -0.00 0.00 0.00 59.98 59.52 2k20 h ARG 89 Cb -0.02 0.09 -0.00 0.00 -0.00 0.00 0.00 29.97 30.03 2k20 h ARG 89 CO -0.01 1.10 -0.13 1.03 -0.00 0.00 0.00 179.97 181.96 2k20 h SER 90 N 0.30 0.00 0.68 0.08 0.87 -0.98 0.69 113.55 115.19 2k20 h SER 90 Ca -0.03 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.27 2k20 h SER 90 Cb 1.18 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.10 2k20 h SER 90 CO 0.12 0.13 -1.41 0.00 -0.53 0.00 0.00 176.83 175.13 2k20 h MET 91 N 0.00 0.03 -0.50 2.24 -0.00 0.20 1.09 114.93 118.00 2k20 h MET 91 Ca -0.00 -0.06 -0.27 0.00 -0.00 0.00 0.00 59.70 59.37 2k20 h MET 91 Cb 0.24 0.02 -0.16 0.00 -0.00 0.00 0.00 31.60 31.70 2k20 h MET 91 CO 0.02 0.78 0.07 0.45 -0.00 0.00 0.00 176.91 178.22 2k20 n SER 92 N -3.22 2.82 0.00 -0.10 2.88 -0.58 -2.28 113.62 113.14 2k20 n SER 92 Ca -0.10 -3.76 0.00 0.00 -1.33 0.00 0.00 58.87 53.67 2k20 n SER 92 Cb 1.01 -0.68 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 2k20 n SER 92 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2k20 n THR 93 N -1.12 0.00 0.00 2.46 5.66 0.20 -4.91 114.28 116.56 2k20 n THR 93 Ca 0.40 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.40 2k20 n THR 93 Cb 1.16 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.94 2k20 n THR 93 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2k20 n GLU 94 N -0.45 0.37 0.08 1.09 1.02 -0.92 -4.45 120.64 117.37 2k20 n GLU 94 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 2k20 n GLU 94 Cb 0.00 -0.95 -0.08 0.00 -0.02 0.00 0.00 31.44 30.39 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 0.00 0.10 1.73 0.62 0.00 0.11 -3.25 103.07 102.38 2k20 h GLY 95 Ca 0.00 -0.22 -0.19 0.00 0.00 0.00 0.00 47.33 46.92 2k20 h GLY 95 CO 0.00 0.20 -0.82 -0.57 0.00 0.00 0.00 176.54 175.35 2k20 h ASN 96 N 0.03 0.32 -0.92 0.19 -0.00 -1.66 0.22 115.58 113.77 2k20 h ASN 96 Ca -0.04 -0.24 0.26 0.00 -0.00 0.00 0.00 56.30 56.28 2k20 h ASN 96 Cb 1.70 -0.10 -0.16 0.00 -0.00 0.00 0.00 38.32 39.77 2k20 h ASN 96 CO 0.14 1.01 0.19 0.11 -0.00 0.00 0.00 177.43 178.88 2k20 h LYS 97 N 0.16 0.12 0.00 6.67 1.79 -1.77 0.48 116.57 124.01 2k20 h LYS 97 Ca -0.04 -0.01 -0.10 0.00 -2.18 0.00 0.00 60.65 58.32 2k20 h LYS 97 Cb 1.42 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 32.03 2k20 h LYS 97 CO 0.13 0.08 -1.21 0.07 -1.08 0.00 0.00 179.45 177.44 2k20 h ARG 98 N 0.13 0.00 0.00 3.15 -0.00 -1.71 -3.48 114.38 112.46 2k20 h ARG 98 Ca 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.57 2k20 h ARG 98 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.21 2k20 h ARG 98 CO -0.74 0.19 0.00 0.41 -0.00 0.00 0.00 179.97 179.82 2k20 n GLY 99 N 1.31 0.87 3.60 0.08 0.00 0.17 -5.07 105.19 106.14 2k20 n GLY 99 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.32 0.77 -0.04 1.61 0.00 0.75 -1.43 119.30 120.65 2k20 s MET 100 Ca 0.00 0.64 0.05 0.00 0.00 0.00 0.00 55.69 56.39 2k20 s MET 100 Cb 0.00 0.37 -0.02 0.00 0.00 0.00 0.00 34.83 35.18 2k20 s MET 100 CO 0.00 -0.15 -0.19 -1.50 0.00 0.00 0.00 175.02 173.18 2k20 s ILE 101 N -0.16 2.66 0.02 3.16 2.07 0.00 -4.52 121.20 124.45 2k20 s ILE 101 Ca -0.02 -0.88 -0.22 0.00 -1.41 0.00 0.00 60.65 58.13 2k20 s ILE 101 Cb -0.03 -2.00 -0.06 0.00 0.13 0.00 0.00 42.46 40.50 2k20 s ILE 101 CO 0.01 0.59 0.66 0.00 -1.91 0.00 0.00 174.94 174.29 2k20 s GLN 102 N -0.66 4.38 -0.03 3.50 1.03 -1.26 0.10 119.66 126.72 2k20 s GLN 102 Ca 0.10 0.87 0.07 0.00 0.04 0.00 0.00 55.36 56.44 2k20 s GLN 102 Cb -0.10 -3.34 -0.02 0.00 0.03 0.00 0.00 33.01 29.58 2k20 s GLN 102 CO 0.00 0.36 -0.24 -0.51 -2.54 0.00 0.00 175.29 172.36 2k20 s LEU 103 N -0.24 2.04 -0.24 2.60 2.01 0.16 -0.99 118.68 124.02 2k20 s LEU 103 Ca 0.34 -0.45 0.02 0.00 0.01 0.00 0.00 54.13 54.05 2k20 s LEU 103 Cb -0.19 -1.26 0.05 0.00 0.01 0.00 0.00 46.19 44.79 2k20 s LEU 103 CO 0.20 0.27 -0.13 -0.63 1.01 0.00 0.00 176.35 177.06 2k20 s ILE 104 N -0.41 2.14 0.14 -0.59 1.01 -0.03 0.72 121.20 124.18 2k20 s ILE 104 Ca 0.05 -1.45 0.08 0.00 0.00 0.00 0.00 60.65 59.32 2k20 s ILE 104 Cb -0.11 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 2k20 s ILE 104 CO 0.01 0.12 -0.18 0.68 0.00 0.00 0.00 174.94 175.57 2k20 s VAL 105 N 1.15 1.69 -0.04 2.92 -7.23 0.43 0.11 120.40 119.43 2k20 s VAL 105 Ca -0.05 -1.80 0.04 0.00 -1.81 0.00 0.00 61.98 58.36 2k20 s VAL 105 Cb -0.18 -1.72 -0.00 0.00 0.56 0.00 0.00 36.38 35.04 2k20 s VAL 105 CO -0.07 -0.29 -0.18 0.00 -0.31 0.00 0.00 175.10 174.26 2k20 s ALA 106 N -1.89 1.57 0.33 1.32 0.00 0.15 0.15 121.76 123.39 2k20 s ALA 106 Ca 0.12 -0.71 -0.01 0.00 0.00 0.00 0.00 51.96 51.36 2k20 s ALA 106 Cb -0.06 -0.52 0.01 0.00 0.00 0.00 0.00 23.12 22.55 2k20 s ALA 106 CO 0.05 0.29 0.45 2.89 0.00 0.00 0.00 175.76 179.44 2k20 n ARG 107 N 3.13 0.64 -3.65 0.00 -4.01 -0.87 -1.64 116.66 110.27 2k20 n ARG 107 Ca -0.18 -2.67 -0.37 0.00 -1.04 0.00 0.00 57.85 53.60 2k20 n ARG 107 Cb 0.53 2.54 -0.10 0.00 -3.04 0.00 0.00 32.46 32.39 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 -2.78 4.05 0.57 2.89 6.06 -1.26 -1.67 118.95 126.81 2k20 s ARG 108 Ca 0.28 -0.28 -0.19 0.00 -2.50 0.00 0.00 55.73 53.04 2k20 s ARG 108 Cb -0.01 -3.56 -0.04 0.00 0.06 0.00 0.00 34.95 31.40 2k20 s ARG 108 CO 0.20 0.02 1.16 0.42 -2.50 0.00 0.00 175.30 174.60 2k20 s ILE 109 N 1.17 2.93 0.00 4.11 1.01 0.21 -4.98 121.20 125.65 2k20 s ILE 109 Ca 0.07 0.57 0.00 0.00 0.00 0.00 0.00 60.65 61.29 2k20 s ILE 109 Cb -0.14 -3.21 0.00 0.00 0.01 0.00 0.00 42.46 39.12 2k20 s ILE 109 CO 0.06 -0.14 0.00 -0.24 0.00 0.00 0.00 174.94 174.62