#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 0.01 -3.68 2.61 -2.24 -1.26 -4.98 114.28 104.75 2k20 n THR 8 Ca 0.00 -4.31 -0.11 0.00 -2.27 0.00 0.00 64.05 57.36 2k20 n THR 8 Cb 0.00 -1.93 -0.12 0.00 -2.10 0.00 0.00 70.33 66.18 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 -1.52 0.24 -0.01 -0.78 1.81 -1.26 -3.18 118.95 114.25 2k20 s ARG 9 Ca 0.36 0.80 0.01 0.00 -1.72 0.00 0.00 55.73 55.19 2k20 s ARG 9 Cb 0.17 0.06 0.00 0.00 -0.45 0.00 0.00 34.95 34.73 2k20 s ARG 9 CO -0.09 -0.24 -0.03 -1.83 -0.68 0.00 0.00 175.30 172.43 2k20 s GLU 10 N 2.13 0.36 0.36 3.54 -1.05 -0.92 -4.99 118.70 118.14 2k20 s GLU 10 Ca -0.03 -0.11 -0.17 0.00 -0.15 0.00 0.00 54.97 54.51 2k20 s GLU 10 Cb -0.11 -0.39 -0.10 0.00 -0.44 0.00 0.00 34.13 33.10 2k20 s GLU 10 CO -0.10 0.04 0.81 -0.06 0.95 0.00 0.00 175.26 176.89 2k20 s PHE 11 N 0.17 3.36 -0.19 4.83 0.08 -1.26 -1.93 117.98 123.03 2k20 s PHE 11 Ca -0.01 1.35 -0.04 0.00 0.12 0.00 0.00 56.93 58.35 2k20 s PHE 11 Cb -0.05 -2.64 0.06 0.00 -0.57 0.00 0.00 43.02 39.82 2k20 s PHE 11 CO -0.00 0.03 0.06 -0.51 -0.10 0.00 0.00 175.22 174.69 2k20 s LEU 12 N -3.03 0.86 -0.21 -0.37 1.43 0.17 -4.92 118.68 112.60 2k20 s LEU 12 Ca 0.57 -0.75 -0.09 0.00 -1.03 0.00 0.00 54.13 52.82 2k20 s LEU 12 Cb -0.10 -0.46 -0.05 0.00 0.03 0.00 0.00 46.19 45.62 2k20 s LEU 12 CO 0.16 -0.33 0.12 -0.89 0.23 0.00 0.00 176.35 175.65 2k20 s THR 13 N 1.97 5.20 0.24 5.49 2.01 -1.26 -0.40 115.64 128.89 2k20 s THR 13 Ca 0.00 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.13 2k20 s THR 13 Cb -0.17 -3.39 -0.03 0.00 0.01 0.00 0.00 72.50 68.92 2k20 s THR 13 CO -0.09 0.41 0.20 -0.36 -0.69 0.00 0.00 174.62 174.09 2k20 s PHE 14 N 0.65 1.27 -0.21 4.92 0.08 0.12 -4.97 117.98 119.85 2k20 s PHE 14 Ca 0.07 -1.42 0.00 0.00 0.12 0.00 0.00 56.93 55.70 2k20 s PHE 14 Cb -0.12 -0.55 0.05 0.00 -0.57 0.00 0.00 43.02 41.83 2k20 s PHE 14 CO 0.01 -0.73 -0.06 -1.21 -0.10 0.00 0.00 175.22 173.12 2k20 s GLU 15 N -3.94 1.66 -0.35 0.44 8.01 -1.26 0.13 118.70 123.39 2k20 s GLU 15 Ca 0.38 -0.82 -0.10 0.00 0.01 0.00 0.00 54.97 54.44 2k20 s GLU 15 Cb 0.05 -2.40 0.02 0.00 -4.31 0.00 0.00 34.13 27.49 2k20 s GLU 15 CO 0.16 -0.52 0.18 0.08 0.01 0.00 0.00 175.26 175.18 2k20 s VAL 16 N 1.47 4.52 -0.08 2.63 1.01 0.11 -4.89 120.40 125.17 2k20 s VAL 16 Ca -0.03 -0.76 -0.27 0.00 0.00 0.00 0.00 61.98 60.93 2k20 s VAL 16 Cb -0.17 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 2k20 s VAL 16 CO -0.07 -0.15 0.85 -2.16 0.00 0.00 0.00 175.10 173.57 2k20 s PRO 17 N 1.56 4.43 -0.18 2.72 0.04 -1.26 -0.57 135.00 141.74 2k20 s PRO 17 Ca 0.02 1.13 0.13 0.00 0.04 0.00 0.00 61.00 62.33 2k20 s PRO 17 Cb -0.19 -3.50 0.39 0.00 0.04 0.00 0.00 34.50 31.25 2k20 s PRO 17 CO 0.06 -0.13 1.20 1.47 0.04 0.00 0.00 177.00 179.65 2k20 n LEU 18 N 4.37 2.50 -0.67 -3.56 -0.00 0.05 -4.46 117.00 115.23 2k20 n LEU 18 Ca 0.04 -3.60 0.51 0.00 -0.00 0.00 0.00 56.01 52.96 2k20 n LEU 18 Cb 0.50 -0.47 0.80 0.00 -0.00 0.00 0.00 43.42 44.25 2k20 n LEU 18 CO 0.49 1.21 1.44 -0.46 -0.00 0.00 0.00 177.39 180.07 2k20 n ASN 19 N -1.06 0.04 -0.04 1.45 6.94 -1.20 0.88 115.26 122.26 2k20 n ASN 19 Ca 0.17 1.06 -0.05 0.00 -0.02 0.00 0.00 54.58 55.75 2k20 n ASN 19 Cb 0.71 -0.53 -0.06 0.00 -2.36 0.00 0.00 39.78 37.54 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 -4.06 3.09 0.00 0.53 8.00 -1.26 -4.48 116.55 118.37 2k20 n ASP 20 Ca 0.44 -0.01 0.08 0.00 0.71 0.00 0.00 54.79 56.01 2k20 n ASP 20 Cb 1.95 0.52 0.40 0.00 -0.02 0.00 0.00 41.12 43.96 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 -2.39 0.00 -0.52 -2.24 2.88 0.71 -3.62 113.62 108.44 2k20 n SER 21 Ca -0.14 0.09 0.45 0.00 -1.33 0.00 0.00 58.87 57.94 2k20 n SER 21 Cb 0.74 -0.30 0.79 0.00 -0.75 0.00 0.00 64.21 64.69 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 2.63 0.00 1.21 0.46 0.00 0.26 1.15 103.07 108.78 2k20 h GLY 22 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.02 2k20 h GLY 22 CO 0.00 0.00 -1.55 1.76 0.00 0.00 0.00 176.54 176.75 2k20 h SER 23 N 0.00 0.41 0.54 0.19 0.02 -1.85 -3.29 113.55 109.57 2k20 h SER 23 Ca 0.76 -0.57 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2k20 h SER 23 Cb 3.07 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 65.47 2k20 h SER 23 CO -0.01 1.48 -0.13 0.00 -1.14 0.00 0.00 176.83 177.03 2k20 n ALA 24 N -2.68 2.74 0.00 3.77 0.00 0.32 -4.94 120.51 119.73 2k20 n ALA 24 Ca -0.17 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.04 2k20 n ALA 24 Cb 1.05 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 19.14 2k20 n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k20 n GLY 25 N 1.36 2.26 0.00 0.00 0.00 0.27 -3.76 105.19 105.32 2k20 n GLY 25 Ca 0.12 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.71 117.00 119.98 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 0.90 3.38 -3.96 0.00 -1.25 0.20 105.19 104.47 2k20 n GLY 27 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.67 0.03 -0.21 1.61 -7.23 -1.26 0.12 120.40 111.79 2k20 s VAL 28 Ca 0.00 -0.24 -0.01 0.00 -1.81 0.00 0.00 61.98 59.93 2k20 s VAL 28 Cb 0.00 -1.05 0.02 0.00 0.56 0.00 0.00 36.38 35.91 2k20 s VAL 28 CO 0.00 -0.13 -0.13 -0.44 -0.31 0.00 0.00 175.10 174.09 2k20 s SER 29 N -2.54 3.77 0.08 4.85 0.01 0.22 -4.88 113.70 115.21 2k20 s SER 29 Ca -0.00 -0.71 0.03 0.00 1.31 0.00 0.00 55.95 56.58 2k20 s SER 29 Cb 0.00 -1.59 -0.04 0.00 0.21 0.00 0.00 66.02 64.60 2k20 s SER 29 CO -0.09 -0.05 0.06 0.68 0.41 0.00 0.00 173.24 174.24 2k20 s VAL 30 N 1.32 4.40 -0.13 3.43 -7.23 -1.26 0.15 120.40 121.08 2k20 s VAL 30 Ca 0.03 -0.80 -0.07 0.00 -1.81 0.00 0.00 61.98 59.33 2k20 s VAL 30 Cb -0.15 -3.10 0.05 0.00 0.56 0.00 0.00 36.38 33.74 2k20 s VAL 30 CO -0.08 0.14 0.31 -1.59 -0.31 0.00 0.00 175.10 173.57 2k20 s LYS 31 N -2.31 0.28 0.28 4.82 0.00 -0.87 -4.83 119.74 117.10 2k20 s LYS 31 Ca 0.28 0.61 0.07 0.00 0.00 0.00 0.00 55.97 56.93 2k20 s LYS 31 Cb -0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 37.83 37.61 2k20 s LYS 31 CO 0.20 -0.15 0.26 0.20 0.00 0.00 0.00 175.35 175.86 2k20 s GLY 32 N 1.23 1.49 0.31 0.59 0.00 -1.25 -0.24 107.32 109.44 2k20 s GLY 32 Ca -0.09 -1.45 0.03 0.00 0.00 0.00 0.00 44.72 43.21 2k20 s GLY 32 CO -0.09 -1.46 0.08 -1.31 0.00 0.00 0.00 173.10 170.32 2k20 s ASN 33 N -3.92 1.98 0.19 1.64 0.01 -0.78 -4.96 114.94 109.10 2k20 s ASN 33 Ca 0.36 -1.42 0.10 0.00 -0.71 0.00 0.00 52.86 51.19 2k20 s ASN 33 Cb -0.08 0.07 -0.04 0.00 0.41 0.00 0.00 41.25 41.61 2k20 s ASN 33 CO 0.26 -0.69 -0.17 -0.13 -1.51 0.00 0.00 177.10 174.86 2k20 s ARG 34 N -3.92 1.78 0.53 -0.60 0.52 -1.26 0.10 118.95 116.11 2k20 s ARG 34 Ca 0.36 -1.40 -0.19 0.00 -0.52 0.00 0.00 55.73 53.98 2k20 s ARG 34 Cb 0.08 -2.00 -0.10 0.00 0.52 0.00 0.00 34.95 33.45 2k20 s ARG 34 CO 0.15 0.42 0.45 0.45 0.02 0.00 0.00 175.30 176.78 2k20 n SER 35 N 0.17 -1.34 -0.04 0.23 2.88 0.22 -4.77 113.62 110.97 2k20 n SER 35 Ca -0.12 0.76 -0.12 0.00 -1.33 0.00 0.00 58.87 58.06 2k20 n SER 35 Cb 0.56 -1.12 -0.07 0.00 -0.75 0.00 0.00 64.21 62.82 2k20 n SER 35 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2k20 h LYS 36 N 0.32 0.21 0.00 -1.46 6.56 -1.99 -3.32 116.57 116.89 2k20 h LYS 36 Ca -0.44 -0.08 -0.00 0.00 -1.06 0.00 0.00 60.65 59.07 2k20 h LYS 36 Cb 1.41 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 33.05 2k20 h LYS 36 CO 0.47 0.52 -0.00 1.05 -2.06 0.00 0.00 179.45 179.43 2k20 h GLU 37 N -0.11 -0.00 -5.68 3.15 4.11 -2.00 -3.47 114.58 110.58 2k20 h GLU 37 Ca 0.03 0.00 -0.60 0.00 0.07 0.00 0.00 59.36 58.85 2k20 h GLU 37 Cb 0.44 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.56 2k20 h GLU 37 CO 0.01 0.67 -0.63 0.54 0.07 0.00 0.00 179.01 179.68 2k20 s ASN 38 N -5.88 3.63 -1.22 3.06 6.03 -1.25 -5.03 114.94 114.27 2k20 s ASN 38 Ca -0.17 -1.31 -0.08 0.00 -1.03 0.00 0.00 52.86 50.27 2k20 s ASN 38 Cb -0.00 -0.34 -0.05 0.00 -3.03 0.00 0.00 41.25 37.83 2k20 s ASN 38 CO 0.68 -0.39 2.90 1.41 -2.03 0.00 0.00 177.10 179.67 2k20 n HIS 39 N -0.87 2.04 -3.55 1.54 8.25 -1.26 -2.56 115.22 118.81 2k20 n HIS 39 Ca -0.05 -2.70 -0.41 0.00 -0.26 0.00 0.00 57.72 54.29 2k20 n HIS 39 Cb 0.66 -2.11 -0.11 0.00 1.12 0.00 0.00 29.99 29.55 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 0.85 3.35 -0.35 -1.41 0.00 -1.26 -4.77 121.76 118.18 2k20 s ALA 40 Ca 0.65 -1.77 -0.42 0.00 0.00 0.00 0.00 51.96 50.42 2k20 s ALA 40 Cb 0.22 -2.71 -0.17 0.00 0.00 0.00 0.00 23.12 20.46 2k20 s ALA 40 CO -0.07 -1.45 1.74 -0.25 0.00 0.00 0.00 175.76 175.73 2k20 n ASP 41 N 5.05 2.05 -0.34 0.00 8.00 -1.26 0.72 116.55 130.77 2k20 n ASP 41 Ca -0.11 1.06 0.14 0.00 0.71 0.00 0.00 54.79 56.59 2k20 n ASP 41 Cb 0.46 -1.07 0.56 0.00 -0.02 0.00 0.00 41.12 41.05 2k20 n ASP 41 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2k20 n LEU 42 N 5.32 1.13 0.00 0.64 4.77 0.29 -4.83 117.00 124.31 2k20 n LEU 42 Ca 0.29 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 2k20 n LEU 42 Cb 0.08 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2k20 n LEU 42 CO 0.83 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.70 2k20 n GLY 43 N 1.19 -1.74 3.54 -0.72 0.00 -1.24 -4.89 105.19 101.31 2k20 n GLY 43 Ca 0.18 -2.17 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.46 3.53 0.00 -0.61 -0.00 -1.26 -1.87 121.20 120.53 2k20 s ILE 44 Ca 0.00 -0.54 0.08 0.00 -0.00 0.00 0.00 60.65 60.20 2k20 s ILE 44 Cb 0.00 -2.44 -0.02 0.00 -0.00 0.00 0.00 42.46 39.99 2k20 s ILE 44 CO 0.00 0.58 -0.26 -0.36 -0.00 0.00 0.00 174.94 174.91 2k20 s PHE 45 N -0.60 2.35 -0.39 1.37 0.40 0.67 -0.07 117.98 121.71 2k20 s PHE 45 Ca 0.09 -0.42 -0.31 0.00 -0.60 0.00 0.00 56.93 55.69 2k20 s PHE 45 Cb -0.12 -1.47 -0.09 0.00 0.51 0.00 0.00 43.02 41.85 2k20 s PHE 45 CO 0.02 0.03 2.29 0.28 0.70 0.00 0.00 175.22 178.53 2k20 n VAL 46 N 2.20 0.16 0.06 -0.44 0.31 -0.89 -2.06 118.33 117.67 2k20 n VAL 46 Ca -0.16 -0.42 -0.21 0.00 -0.01 0.00 0.00 64.34 63.55 2k20 n VAL 46 Cb 0.51 -2.08 -0.12 0.00 -0.91 0.00 0.00 33.84 31.24 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 14.69 0.56 -1.40 5.55 1.63 1.00 0.80 116.57 139.41 2k20 h LYS 47 Ca -0.29 -0.70 0.13 0.00 -0.85 0.00 0.00 60.65 58.94 2k20 h LYS 47 Cb 1.29 0.22 -0.24 0.00 -0.60 0.00 0.00 32.23 32.90 2k20 h LYS 47 CO 1.06 1.30 0.21 -1.12 -3.45 0.00 0.00 179.45 177.44 2k20 s SER 48 N -7.20 -0.67 -0.19 4.20 0.01 -0.84 -4.81 113.70 104.19 2k20 s SER 48 Ca -0.11 0.97 -0.19 0.00 1.31 0.00 0.00 55.95 57.93 2k20 s SER 48 Cb 0.05 1.59 -0.03 0.00 0.21 0.00 0.00 66.02 67.84 2k20 s SER 48 CO 0.90 -0.14 0.55 -0.63 0.41 0.00 0.00 173.24 174.32 2k20 s ILE 49 N 2.11 5.08 -0.26 1.44 1.01 -1.26 0.71 121.20 130.03 2k20 s ILE 49 Ca -0.06 1.02 -0.28 0.00 0.00 0.00 0.00 60.65 61.34 2k20 s ILE 49 Cb -0.06 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 2k20 s ILE 49 CO -0.17 0.16 2.01 -0.63 0.00 0.00 0.00 174.94 176.32 2k20 s ILE 50 N 1.67 3.24 -0.52 2.92 1.09 0.33 -4.84 121.20 125.08 2k20 s ILE 50 Ca 0.26 0.24 -0.26 0.00 -1.10 0.00 0.00 60.65 59.79 2k20 s ILE 50 Cb -0.16 -3.31 -0.24 0.00 -1.06 0.00 0.00 42.46 37.69 2k20 s ILE 50 CO 0.10 -0.19 1.81 -0.46 -0.10 0.00 0.00 174.94 176.09 2k20 n ASN 51 N 10.91 1.93 0.00 3.58 6.94 -1.26 -1.65 115.26 135.71 2k20 n ASN 51 Ca 0.26 -2.61 0.00 0.00 -0.02 0.00 0.00 54.58 52.22 2k20 n ASN 51 Cb 0.46 -0.94 0.00 0.00 -2.36 0.00 0.00 39.78 36.93 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 4.84 0.24 0.00 4.83 0.00 -1.26 -5.06 105.19 108.79 2k20 n GLY 52 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 -2.32 0.26 -0.02 0.00 -0.66 -4.69 105.19 97.75 2k20 n GLY 53 Ca 0.00 -1.44 -0.12 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.00 0.58 -0.52 4.61 0.00 0.21 -1.80 119.26 120.34 2k20 h ALA 54 Ca 0.00 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 2k20 h ALA 54 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2k20 h ALA 54 CO 0.00 0.57 -0.04 0.00 0.00 0.00 0.00 179.25 179.78 2k20 h ALA 55 N 0.81 0.71 -0.12 0.00 0.00 0.13 -0.10 119.26 120.69 2k20 h ALA 55 Ca 0.09 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 2k20 h ALA 55 Cb 0.81 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2k20 h ALA 55 CO 0.07 0.56 -0.47 1.03 0.00 0.00 0.00 179.25 180.44 2k20 h SER 56 N 0.82 0.33 0.75 0.00 0.87 -1.70 -2.84 113.55 111.77 2k20 h SER 56 Ca 0.14 -0.16 -0.13 0.00 -1.23 0.00 0.00 61.79 60.42 2k20 h SER 56 Cb 0.59 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 2k20 h SER 56 CO 0.04 0.76 -0.62 0.11 -0.53 0.00 0.00 176.83 176.59 2k20 h LYS 57 N 0.25 0.00 -0.12 2.24 1.57 -1.09 -3.01 116.57 116.41 2k20 h LYS 57 Ca 0.01 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.83 2k20 h LYS 57 Cb 0.93 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.24 2k20 h LYS 57 CO 0.08 0.62 0.09 0.22 -0.57 0.00 0.00 179.45 179.88 2k20 h ASP 58 N 0.00 0.00 -0.33 0.86 3.58 -0.76 -3.46 116.42 116.32 2k20 h ASP 58 Ca -0.01 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.30 2k20 h ASP 58 Cb 1.16 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.15 2k20 h ASP 58 CO 0.08 0.00 -0.13 0.61 -2.88 0.00 0.00 179.24 176.92 2k20 n GLY 59 N -1.56 0.84 0.00 -0.78 0.00 -1.14 -4.79 105.19 97.76 2k20 n GLY 59 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.82 -0.23 -3.73 1.61 1.74 -1.26 -5.05 116.66 107.92 2k20 n ARG 60 Ca -0.07 -0.26 -0.36 0.00 -0.77 0.00 0.00 57.85 56.40 2k20 n ARG 60 Cb 0.35 -0.74 -0.07 0.00 -1.02 0.00 0.00 32.46 30.98 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 -0.08 4.27 0.01 0.55 1.02 -1.26 -5.03 118.68 118.16 2k20 s LEU 61 Ca 0.00 0.36 0.01 0.00 0.02 0.00 0.00 54.13 54.51 2k20 s LEU 61 Cb 0.00 -2.14 -0.01 0.00 0.02 0.00 0.00 46.19 44.06 2k20 s LEU 61 CO 0.00 0.23 -0.03 0.00 0.02 0.00 0.00 176.35 176.57 2k20 s ARG 62 N -0.04 0.24 0.54 1.70 3.03 -1.26 -4.89 118.95 118.27 2k20 s ARG 62 Ca 0.12 -0.23 -0.21 0.00 2.03 0.00 0.00 55.73 57.44 2k20 s ARG 62 Cb -0.12 -0.15 -0.06 0.00 -1.03 0.00 0.00 34.95 33.59 2k20 s ARG 62 CO 0.01 0.03 1.13 0.28 -1.13 0.00 0.00 175.30 175.62 2k20 n VAL 63 N 2.66 3.48 0.00 4.99 0.31 -1.26 -2.43 118.33 126.08 2k20 n VAL 63 Ca -0.15 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.68 2k20 n VAL 63 Cb 0.58 -1.35 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 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 -0.58 0.00 -4.59 4.52 3.02 0.28 -4.91 115.26 113.01 2k20 n ASN 64 Ca 0.11 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.25 2k20 n ASN 64 Cb 0.44 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.59 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 -2.93 5.39 -0.27 6.41 1.11 -1.02 -4.52 116.67 120.85 2k20 s ASP 65 Ca 0.00 1.41 -0.29 0.00 0.18 0.00 0.00 52.55 53.85 2k20 s ASP 65 Cb 0.00 -2.52 -0.02 0.00 1.07 0.00 0.00 42.92 41.46 2k20 s ASP 65 CO 0.00 -2.09 1.54 -1.58 1.18 0.00 0.00 175.17 174.22 2k20 s GLN 66 N 6.53 3.76 0.39 8.23 -0.44 -0.39 -2.10 119.66 135.64 2k20 s GLN 66 Ca 0.90 1.47 -0.26 0.00 -2.50 0.00 0.00 55.36 54.97 2k20 s GLN 66 Cb -0.25 -4.01 -0.09 0.00 -1.64 0.00 0.00 33.01 27.02 2k20 s GLN 66 CO 0.32 -1.33 1.24 -0.51 0.50 0.00 0.00 175.29 175.51 2k20 s LEU 67 N 5.18 4.25 0.00 3.68 1.43 0.90 0.70 118.68 134.81 2k20 s LEU 67 Ca 0.68 2.53 0.00 0.00 -1.03 0.00 0.00 54.13 56.30 2k20 s LEU 67 Cb -0.22 -3.90 0.00 0.00 0.03 0.00 0.00 46.19 42.10 2k20 s LEU 67 CO 0.28 -0.71 0.00 -0.38 0.23 0.00 0.00 176.35 175.77 2k20 n ILE 68 N 0.25 0.00 -3.96 -0.59 5.41 0.32 -4.46 119.36 116.33 2k20 n ILE 68 Ca 0.03 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.69 2k20 n ILE 68 Cb 0.44 -0.41 -0.07 0.00 -0.71 0.00 0.00 39.64 38.90 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 -1.54 -0.06 -0.24 -1.39 0.00 -0.89 -0.14 121.76 117.49 2k20 s ALA 69 Ca 0.00 -0.87 -0.07 0.00 0.00 0.00 0.00 51.96 51.02 2k20 s ALA 69 Cb 0.00 0.93 0.11 0.00 0.00 0.00 0.00 23.12 24.16 2k20 s ALA 69 CO 0.00 -0.69 0.50 0.54 0.00 0.00 0.00 175.76 176.11 2k20 s VAL 70 N -3.98 -0.79 -1.37 0.00 0.11 0.13 -1.51 120.40 112.99 2k20 s VAL 70 Ca 0.18 0.09 -0.07 0.00 -2.93 0.00 0.00 61.98 59.25 2k20 s VAL 70 Cb 0.02 -0.81 0.03 0.00 -1.53 0.00 0.00 36.38 34.10 2k20 s VAL 70 CO 0.02 0.03 0.99 0.59 -3.33 0.00 0.00 175.10 173.40 2k20 n ASN 71 N 5.41 -4.09 -0.86 3.54 3.02 0.15 -0.99 115.26 121.45 2k20 n ASN 71 Ca -0.09 -0.68 -0.10 0.00 -0.03 0.00 0.00 54.58 53.68 2k20 n ASN 71 Cb 0.49 -4.50 -0.03 0.00 -0.61 0.00 0.00 39.78 35.13 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 -1.67 0.71 2.94 7.41 0.00 -1.26 -4.96 105.19 108.35 2k20 n GLY 72 Ca -0.10 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 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 -3.40 1.44 -0.11 1.61 0.41 -0.16 -5.09 118.70 113.41 2k20 s GLU 73 Ca 0.00 -1.91 -0.29 0.00 -0.41 0.00 0.00 54.97 52.36 2k20 s GLU 73 Cb 0.00 -2.98 -0.04 0.00 -1.78 0.00 0.00 34.13 29.33 2k20 s GLU 73 CO 0.00 -1.00 1.53 -1.12 -0.49 0.00 0.00 175.26 174.18 2k20 s SER 74 N 0.74 6.72 0.30 -0.19 0.01 -1.26 -0.69 113.70 119.33 2k20 s SER 74 Ca 0.12 1.99 0.26 0.00 1.31 0.00 0.00 55.95 59.63 2k20 s SER 74 Cb -0.20 -2.53 0.98 0.00 0.21 0.00 0.00 66.02 64.47 2k20 s SER 74 CO -0.09 -0.92 1.76 -0.07 0.41 0.00 0.00 173.24 174.34 2k20 h LEU 75 N 10.26 0.00 -8.26 2.44 3.38 -0.89 -3.43 115.31 118.81 2k20 h LEU 75 Ca -0.35 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.38 2k20 h LEU 75 Cb 1.15 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 2k20 h LEU 75 CO 0.96 0.00 1.07 0.18 0.09 0.00 0.00 178.44 180.75 2k20 n LEU 76 N -2.40 0.84 0.00 1.67 4.77 -1.24 -1.25 117.00 119.40 2k20 n LEU 76 Ca 0.03 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 2k20 n LEU 76 Cb 0.29 -1.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 2k20 n LEU 76 CO 0.23 -1.89 0.00 0.61 -1.33 0.00 0.00 177.39 175.02 2k20 n GLY 77 N 6.27 0.63 3.75 -0.72 0.00 -1.26 -5.15 105.19 108.72 2k20 n GLY 77 Ca 0.53 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.32 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 2.33 0.82 1.61 -2.85 -0.38 -5.13 119.74 116.14 2k20 s LYS 78 Ca 0.00 -1.67 -0.12 0.00 -1.00 0.00 0.00 55.97 53.19 2k20 s LYS 78 Cb 0.00 -2.12 0.08 0.00 -2.06 0.00 0.00 37.83 33.73 2k20 s LYS 78 CO 0.00 -0.02 1.10 0.00 0.10 0.00 0.00 175.35 176.52 2k20 s ALA 79 N -2.50 2.09 0.11 0.59 0.00 -1.26 -4.73 121.76 116.06 2k20 s ALA 79 Ca 0.40 -0.20 -0.31 0.00 0.00 0.00 0.00 51.96 51.86 2k20 s ALA 79 Cb 0.00 -3.12 -0.09 0.00 0.00 0.00 0.00 23.12 19.91 2k20 s ALA 79 CO 0.23 -1.88 1.59 -0.91 0.00 0.00 0.00 175.76 174.79 2k20 h ASN 80 N -1.20 -1.25 -0.96 0.00 2.35 -1.89 0.53 115.58 113.16 2k20 h ASN 80 Ca -0.48 0.14 0.14 0.00 -0.55 0.00 0.00 56.30 55.56 2k20 h ASN 80 Cb 1.28 0.47 -0.08 0.00 0.05 0.00 0.00 38.32 40.04 2k20 h ASN 80 CO 0.59 -0.48 0.61 0.06 -1.65 0.00 0.00 177.43 176.55 2k20 h GLN 81 N -0.63 0.80 -0.28 0.81 -0.00 -1.95 0.31 115.11 114.16 2k20 h GLN 81 Ca 0.03 -0.05 -0.17 0.00 -0.00 0.00 0.00 58.65 58.46 2k20 h GLN 81 Cb 0.67 -0.18 -0.00 0.00 -0.00 0.00 0.00 27.48 27.97 2k20 h GLN 81 CO -0.27 0.53 -0.51 0.93 -0.00 0.00 0.00 178.83 179.52 2k20 h GLU 82 N 0.83 0.81 -0.12 0.06 5.08 -1.68 -1.48 114.58 118.07 2k20 h GLU 82 Ca 0.49 -0.49 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2k20 h GLU 82 Cb 0.66 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 2k20 h GLU 82 CO -0.26 1.12 -0.01 0.00 -1.00 0.00 0.00 179.01 178.86 2k20 h ALA 83 N 0.79 0.17 0.00 3.43 0.00 0.18 0.45 119.26 124.28 2k20 h ALA 83 Ca 0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2k20 h ALA 83 Cb 1.09 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2k20 h ALA 83 CO 0.11 -0.12 -0.15 0.00 0.00 0.00 0.00 179.25 179.09 2k20 h MET 84 N -0.06 0.00 0.04 0.00 -0.00 -0.49 0.14 114.93 114.57 2k20 h MET 84 Ca 0.03 0.00 -0.22 0.00 -0.00 0.00 0.00 59.70 59.51 2k20 h MET 84 Cb 0.40 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.99 2k20 h MET 84 CO 0.01 0.15 -1.03 1.49 -0.00 0.00 0.00 176.91 177.53 2k20 h GLU 85 N 0.00 0.14 -0.29 -0.10 4.57 -0.95 -1.32 114.58 116.63 2k20 h GLU 85 Ca -0.00 -0.21 -0.13 0.00 -1.18 0.00 0.00 59.36 57.84 2k20 h GLU 85 Cb 0.27 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 2k20 h GLU 85 CO 0.02 1.05 -0.36 1.15 -1.18 0.00 0.00 179.01 179.69 2k20 h THR 86 N 0.05 1.29 0.06 0.32 2.02 0.12 -1.48 112.91 115.29 2k20 h THR 86 Ca -0.06 -1.50 -0.24 0.00 0.77 0.00 0.00 66.41 65.38 2k20 h THR 86 Cb 1.74 1.45 -0.00 0.00 -1.74 0.00 0.00 68.15 69.60 2k20 h THR 86 CO 0.15 0.48 -1.08 0.17 0.37 0.00 0.00 175.52 175.62 2k20 h LEU 87 N 0.54 0.34 0.08 2.58 8.10 -1.04 -1.66 115.31 124.24 2k20 h LEU 87 Ca 0.05 -0.33 0.01 0.00 0.11 0.00 0.00 57.88 57.73 2k20 h LEU 87 Cb 0.86 -0.11 -0.01 0.00 -0.44 0.00 0.00 40.66 40.96 2k20 h LEU 87 CO 0.07 1.20 -0.10 -0.09 -4.11 0.00 0.00 178.44 175.42 2k20 h ARG 88 N 0.09 -0.21 -0.09 0.17 2.43 -1.03 0.89 114.38 116.64 2k20 h ARG 88 Ca -0.09 0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 58.94 2k20 h ARG 88 Cb 1.77 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 31.36 2k20 h ARG 88 CO 0.17 -0.14 -0.63 -0.09 -1.51 0.00 0.00 179.97 177.77 2k20 h ARG 89 N -0.21 0.33 0.00 0.20 1.12 -1.35 -0.18 114.38 114.29 2k20 h ARG 89 Ca 0.01 -0.24 -0.10 0.00 -1.11 0.00 0.00 59.98 58.55 2k20 h ARG 89 Cb 0.22 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.20 2k20 h ARG 89 CO -0.05 0.85 -0.48 1.03 -3.11 0.00 0.00 179.97 178.22 2k20 h SER 90 N 0.24 0.00 1.11 -3.80 0.87 -0.92 -0.66 113.55 110.38 2k20 h SER 90 Ca -0.01 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 2k20 h SER 90 Cb 1.16 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.12 2k20 h SER 90 CO 0.10 0.48 -0.90 0.00 -0.53 0.00 0.00 176.83 175.99 2k20 h MET 91 N 0.00 0.00 -0.63 2.24 -0.00 0.10 0.98 114.93 117.62 2k20 h MET 91 Ca -0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 59.70 59.25 2k20 h MET 91 Cb 0.89 0.00 -0.41 0.00 -0.00 0.00 0.00 31.60 32.08 2k20 h MET 91 CO 0.06 0.02 -0.90 0.45 -0.00 0.00 0.00 176.91 176.54 2k20 n SER 92 N -2.74 3.86 0.00 -0.10 2.88 -0.10 -3.62 113.62 113.80 2k20 n SER 92 Ca 0.00 -3.26 0.00 0.00 -1.33 0.00 0.00 58.87 54.28 2k20 n SER 92 Cb 0.56 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 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 -0.68 0.00 0.08 2.46 -1.04 -0.27 -4.88 114.28 109.95 2k20 n THR 93 Ca 0.33 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.34 2k20 n THR 93 Cb 0.92 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.43 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 -0.05 0.00 0.24 -2.82 1.02 -1.18 -4.58 120.64 113.27 2k20 n GLU 94 Ca 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.24 2k20 n GLU 94 Cb 0.00 -0.30 0.58 0.00 -0.02 0.00 0.00 31.44 31.70 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 0.00 1.78 0.62 0.00 0.75 -2.54 103.07 103.68 2k20 h GLY 95 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.10 2k20 h GLY 95 CO 0.00 0.00 -1.04 -0.57 0.00 0.00 0.00 176.54 174.93 2k20 h ASN 96 N 0.00 0.26 -1.00 0.19 -0.00 -1.69 -0.79 115.58 112.54 2k20 h ASN 96 Ca -0.00 -0.25 0.33 0.00 -0.00 0.00 0.00 56.30 56.38 2k20 h ASN 96 Cb 0.53 -0.08 -0.15 0.00 -0.00 0.00 0.00 38.32 38.61 2k20 h ASN 96 CO 0.03 1.14 0.56 0.11 -0.00 0.00 0.00 177.43 179.26 2k20 h LYS 97 N 0.07 0.28 0.00 6.67 1.79 -1.70 0.47 116.57 124.15 2k20 h LYS 97 Ca -0.07 -0.02 -0.24 0.00 -2.18 0.00 0.00 60.65 58.15 2k20 h LYS 97 Cb 1.74 -0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 32.29 2k20 h LYS 97 CO 0.16 0.18 -1.55 0.07 -1.08 0.00 0.00 179.45 177.23 2k20 h ARG 98 N 0.29 0.00 0.00 3.15 -0.00 -1.69 -3.48 114.38 112.65 2k20 h ARG 98 Ca 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.72 2k20 h ARG 98 Cb 1.72 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.69 2k20 h ARG 98 CO -0.63 0.43 0.00 0.41 -0.00 0.00 0.00 179.97 180.18 2k20 n GLY 99 N 1.48 1.20 3.49 0.08 0.00 0.16 -5.06 105.19 106.54 2k20 n GLY 99 Ca -0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 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 0.80 0.06 1.61 0.23 -0.31 -0.77 119.30 120.91 2k20 s MET 100 Ca 0.00 0.60 0.06 0.00 -1.03 0.00 0.00 55.69 55.33 2k20 s MET 100 Cb 0.00 0.38 -0.04 0.00 -1.53 0.00 0.00 34.83 33.65 2k20 s MET 100 CO 0.00 -0.16 -0.13 -1.50 -2.03 0.00 0.00 175.02 171.21 2k20 s ILE 101 N -0.21 3.17 0.10 3.16 2.07 0.26 -4.42 121.20 125.32 2k20 s ILE 101 Ca -0.04 -1.15 -0.21 0.00 -1.41 0.00 0.00 60.65 57.84 2k20 s ILE 101 Cb -0.03 -2.41 -0.07 0.00 0.13 0.00 0.00 42.46 40.08 2k20 s ILE 101 CO 0.03 0.25 0.63 -1.58 -1.91 0.00 0.00 174.94 172.36 2k20 s GLN 102 N -1.76 4.30 0.01 3.50 -0.44 -1.26 0.09 119.66 124.10 2k20 s GLN 102 Ca 0.18 0.85 0.04 0.00 -2.50 0.00 0.00 55.36 53.93 2k20 s GLN 102 Cb -0.11 -3.25 -0.01 0.00 -1.64 0.00 0.00 33.01 28.00 2k20 s GLN 102 CO 0.09 0.62 -0.11 -0.51 0.50 0.00 0.00 175.29 175.88 2k20 s LEU 103 N -1.11 2.07 -0.21 3.68 2.01 0.12 0.33 118.68 125.57 2k20 s LEU 103 Ca 0.31 -0.27 0.00 0.00 0.01 0.00 0.00 54.13 54.18 2k20 s LEU 103 Cb -0.20 -0.53 0.05 0.00 0.01 0.00 0.00 46.19 45.51 2k20 s LEU 103 CO 0.21 0.09 -0.05 -0.63 1.01 0.00 0.00 176.35 176.97 2k20 s ILE 104 N -0.45 1.35 -0.04 -0.59 1.01 -0.57 0.14 121.20 122.05 2k20 s ILE 104 Ca 0.03 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.73 2k20 s ILE 104 Cb -0.05 -1.58 0.01 0.00 0.01 0.00 0.00 42.46 40.85 2k20 s ILE 104 CO 0.00 0.00 -0.08 0.68 0.00 0.00 0.00 174.94 175.54 2k20 s VAL 105 N 1.50 0.75 -0.08 2.92 -7.23 0.47 0.12 120.40 118.84 2k20 s VAL 105 Ca -0.03 -0.30 -0.00 0.00 -1.81 0.00 0.00 61.98 59.84 2k20 s VAL 105 Cb -0.17 -0.70 -0.03 0.00 0.56 0.00 0.00 36.38 36.04 2k20 s VAL 105 CO -0.07 0.25 -0.04 0.00 -0.31 0.00 0.00 175.10 174.93 2k20 s ALA 106 N 0.48 3.11 0.34 1.32 0.00 0.22 0.41 121.76 127.64 2k20 s ALA 106 Ca -0.08 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.07 2k20 s ALA 106 Cb -0.11 -1.35 -0.03 0.00 0.00 0.00 0.00 23.12 21.62 2k20 s ALA 106 CO 0.01 0.56 0.16 -0.98 0.00 0.00 0.00 175.76 175.51 2k20 s ARG 107 N -0.78 1.70 -0.01 0.00 1.04 -0.81 -1.26 118.95 118.82 2k20 s ARG 107 Ca 0.12 -1.99 -0.07 0.00 -1.04 0.00 0.00 55.73 52.75 2k20 s ARG 107 Cb -0.11 -0.21 -0.05 0.00 -2.04 0.00 0.00 34.95 32.54 2k20 s ARG 107 CO 0.02 -0.47 0.25 1.03 -0.04 0.00 0.00 175.30 176.09 2k20 s ARG 108 N -3.75 3.57 -0.46 3.89 0.52 -1.26 -2.17 118.95 119.30 2k20 s ARG 108 Ca 0.33 -0.07 -0.24 0.00 -0.52 0.00 0.00 55.73 55.23 2k20 s ARG 108 Cb 0.04 -3.10 0.03 0.00 0.52 0.00 0.00 34.95 32.44 2k20 s ARG 108 CO 0.18 0.67 0.84 0.42 0.02 0.00 0.00 175.30 177.43 2k20 s ILE 109 N -1.25 4.57 0.00 1.52 1.01 -1.19 -4.97 121.20 120.89 2k20 s ILE 109 Ca 0.25 0.54 0.00 0.00 0.00 0.00 0.00 60.65 61.44 2k20 s ILE 109 Cb -0.13 -4.37 0.00 0.00 0.01 0.00 0.00 42.46 37.97 2k20 s ILE 109 CO 0.14 -0.78 0.29 -1.54 0.00 0.00 0.00 174.94 173.06