#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 -0.29 -3.67 2.61 -2.24 -1.26 -5.01 114.28 104.42 2k20 n THR 8 Ca 0.00 -2.06 -0.12 0.00 -2.27 0.00 0.00 64.05 59.60 2k20 n THR 8 Cb 0.00 0.31 -0.12 0.00 -2.10 0.00 0.00 70.33 68.42 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 0.33 0.20 -0.19 -0.78 0.52 -1.26 -3.23 118.95 114.54 2k20 s ARG 9 Ca 0.32 0.80 -0.02 0.00 -0.52 0.00 0.00 55.73 56.31 2k20 s ARG 9 Cb 0.13 0.05 -0.00 0.00 0.52 0.00 0.00 34.95 35.64 2k20 s ARG 9 CO -0.16 -0.26 -0.10 -1.83 0.02 0.00 0.00 175.30 172.97 2k20 s GLU 10 N 2.34 3.27 0.16 3.54 -1.05 -0.75 -4.96 118.70 121.25 2k20 s GLU 10 Ca -0.01 -0.69 -0.30 0.00 -0.15 0.00 0.00 54.97 53.82 2k20 s GLU 10 Cb -0.12 -2.82 -0.07 0.00 -0.44 0.00 0.00 34.13 30.68 2k20 s GLU 10 CO -0.10 -0.12 1.01 -0.06 0.95 0.00 0.00 175.26 176.94 2k20 s PHE 11 N 1.22 3.77 -0.20 4.83 0.40 -1.26 -1.93 117.98 124.80 2k20 s PHE 11 Ca 0.02 1.75 -0.01 0.00 -0.60 0.00 0.00 56.93 58.10 2k20 s PHE 11 Cb -0.14 -3.12 0.06 0.00 0.51 0.00 0.00 43.02 40.33 2k20 s PHE 11 CO -0.04 -0.03 -0.01 -0.51 0.70 0.00 0.00 175.22 175.33 2k20 s LEU 12 N -0.36 1.73 -0.18 -0.37 1.02 0.10 -4.97 118.68 115.65 2k20 s LEU 12 Ca 0.47 -0.90 -0.09 0.00 0.02 0.00 0.00 54.13 53.62 2k20 s LEU 12 Cb -0.26 -0.85 -0.05 0.00 0.02 0.00 0.00 46.19 45.06 2k20 s LEU 12 CO 0.32 -0.26 0.14 -0.89 0.02 0.00 0.00 176.35 175.68 2k20 s THR 13 N 1.66 5.43 0.24 5.49 2.01 -1.26 -0.95 115.64 128.26 2k20 s THR 13 Ca -0.02 0.20 0.01 0.00 0.31 0.00 0.00 61.69 62.18 2k20 s THR 13 Cb -0.17 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 2k20 s THR 13 CO -0.07 0.48 0.19 -0.36 -0.69 0.00 0.00 174.62 174.17 2k20 s PHE 14 N 0.07 1.27 -0.20 4.92 0.08 0.11 -4.97 117.98 119.26 2k20 s PHE 14 Ca 0.10 -1.42 -0.01 0.00 0.12 0.00 0.00 56.93 55.71 2k20 s PHE 14 Cb -0.11 -0.56 0.06 0.00 -0.57 0.00 0.00 43.02 41.84 2k20 s PHE 14 CO -0.01 -0.72 -0.01 -1.21 -0.10 0.00 0.00 175.22 173.17 2k20 s GLU 15 N -3.95 1.10 -0.30 0.44 8.01 -1.26 -0.01 118.70 122.73 2k20 s GLU 15 Ca 0.39 -0.61 -0.10 0.00 0.01 0.00 0.00 54.97 54.66 2k20 s GLU 15 Cb 0.05 -2.21 -0.02 0.00 -4.31 0.00 0.00 34.13 27.64 2k20 s GLU 15 CO 0.16 -0.58 0.15 0.08 0.01 0.00 0.00 175.26 175.08 2k20 s VAL 16 N 1.67 4.71 -0.10 2.63 1.01 0.71 -4.90 120.40 126.13 2k20 s VAL 16 Ca -0.02 -0.27 -0.23 0.00 0.00 0.00 0.00 61.98 61.46 2k20 s VAL 16 Cb -0.17 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 2k20 s VAL 16 CO -0.07 0.14 0.70 -2.16 0.00 0.00 0.00 175.10 173.70 2k20 s PRO 17 N 1.64 4.38 -0.17 2.72 0.04 -1.26 0.15 135.00 142.50 2k20 s PRO 17 Ca 0.05 0.83 0.13 0.00 0.04 0.00 0.00 61.00 62.06 2k20 s PRO 17 Cb -0.17 -3.48 0.40 0.00 0.04 0.00 0.00 34.50 31.29 2k20 s PRO 17 CO 0.07 -0.03 1.20 1.47 0.04 0.00 0.00 177.00 179.75 2k20 n LEU 18 N 4.18 2.42 -0.59 -3.56 -0.00 -0.06 -4.55 117.00 114.84 2k20 n LEU 18 Ca -0.01 -3.55 0.46 0.00 -0.00 0.00 0.00 56.01 52.91 2k20 n LEU 18 Cb 0.51 -0.45 0.72 0.00 -0.00 0.00 0.00 43.42 44.20 2k20 n LEU 18 CO 0.47 1.21 1.30 -0.46 -0.00 0.00 0.00 177.39 179.90 2k20 n ASN 19 N -0.94 0.06 -0.04 1.45 6.94 -1.21 0.12 115.26 121.64 2k20 n ASN 19 Ca 0.17 1.04 -0.05 0.00 -0.02 0.00 0.00 54.58 55.72 2k20 n ASN 19 Cb 0.74 -0.52 -0.06 0.00 -2.36 0.00 0.00 39.78 37.58 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 -4.03 3.03 0.00 0.53 8.00 -1.26 -4.49 116.55 118.33 2k20 n ASP 20 Ca 0.40 -0.01 0.09 0.00 0.71 0.00 0.00 54.79 55.97 2k20 n ASP 20 Cb 1.74 0.49 0.46 0.00 -0.02 0.00 0.00 41.12 43.78 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 -2.43 0.00 -0.45 -2.24 2.88 0.94 -3.67 113.62 108.65 2k20 n SER 21 Ca -0.15 -0.02 0.41 0.00 -1.33 0.00 0.00 58.87 57.79 2k20 n SER 21 Cb 0.75 -0.26 0.76 0.00 -0.75 0.00 0.00 64.21 64.70 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 2.94 0.00 1.21 0.46 0.00 0.70 1.06 103.07 109.44 2k20 h GLY 22 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 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 0.33 -0.12 0.19 0.02 -1.85 -3.29 113.55 108.84 2k20 h SER 23 Ca 0.69 -0.48 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2k20 h SER 23 Cb 2.88 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 65.32 2k20 h SER 23 CO -0.01 1.40 0.00 0.00 -1.14 0.00 0.00 176.83 177.09 2k20 n ALA 24 N -2.66 2.54 0.00 3.77 0.00 0.33 -4.93 120.51 119.56 2k20 n ALA 24 Ca -0.16 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 52.91 2k20 n ALA 24 Cb 1.04 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 19.35 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 0.97 1.76 0.00 0.00 0.00 0.10 -3.53 105.19 104.49 2k20 n GLY 25 Ca 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.65 117.00 120.04 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 -0.55 0.91 3.40 -3.96 0.00 -1.23 0.19 105.19 103.95 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 -1.06 0.03 -0.25 1.61 -7.23 -1.26 0.67 120.40 112.91 2k20 s VAL 28 Ca 0.00 -0.21 -0.01 0.00 -1.81 0.00 0.00 61.98 59.95 2k20 s VAL 28 Cb 0.00 -1.01 0.03 0.00 0.56 0.00 0.00 36.38 35.96 2k20 s VAL 28 CO 0.00 -0.12 -0.07 -0.44 -0.31 0.00 0.00 175.10 174.16 2k20 s SER 29 N -2.26 4.28 0.03 4.85 0.01 0.15 -4.85 113.70 115.90 2k20 s SER 29 Ca -0.03 -0.94 0.03 0.00 1.31 0.00 0.00 55.95 56.32 2k20 s SER 29 Cb -0.00 -1.64 -0.04 0.00 0.21 0.00 0.00 66.02 64.55 2k20 s SER 29 CO -0.06 -0.13 -0.02 0.68 0.41 0.00 0.00 173.24 174.12 2k20 s VAL 30 N 1.29 3.99 -0.08 3.43 -7.23 -1.26 0.13 120.40 120.67 2k20 s VAL 30 Ca -0.01 -0.77 -0.04 0.00 -1.81 0.00 0.00 61.98 59.35 2k20 s VAL 30 Cb -0.17 -2.81 0.04 0.00 0.56 0.00 0.00 36.38 34.00 2k20 s VAL 30 CO -0.05 0.29 0.17 -1.59 -0.31 0.00 0.00 175.10 173.62 2k20 s LYS 31 N -1.78 0.13 0.21 4.82 0.00 -0.91 -4.86 119.74 117.35 2k20 s LYS 31 Ca 0.21 0.40 -0.00 0.00 0.00 0.00 0.00 55.97 56.58 2k20 s LYS 31 Cb -0.11 -0.14 -0.04 0.00 0.00 0.00 0.00 37.83 37.54 2k20 s LYS 31 CO 0.12 -0.15 0.40 0.20 0.00 0.00 0.00 175.35 175.92 2k20 s GLY 32 N 1.09 1.73 0.07 0.59 0.00 -1.26 -1.38 107.32 108.17 2k20 s GLY 32 Ca -0.08 -0.85 0.01 0.00 0.00 0.00 0.00 44.72 43.79 2k20 s GLY 32 CO -0.06 -0.81 0.08 0.70 0.00 0.00 0.00 173.10 173.01 2k20 n ASN 33 N -0.77 0.66 -3.81 1.64 5.03 -0.70 -4.97 115.26 112.34 2k20 n ASN 33 Ca -0.05 -1.21 -0.12 0.00 0.87 0.00 0.00 54.58 54.07 2k20 n ASN 33 Cb 0.54 -0.03 -0.12 0.00 -1.02 0.00 0.00 39.78 39.15 2k20 n ASN 33 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 2k20 s ARG 34 N -2.30 0.25 0.43 3.52 3.00 -1.26 -2.56 118.95 120.03 2k20 s ARG 34 Ca 0.06 0.18 -0.21 0.00 -1.00 0.00 0.00 55.73 54.75 2k20 s ARG 34 Cb -0.00 0.12 -0.14 0.00 0.00 0.00 0.00 34.95 34.93 2k20 s ARG 34 CO 0.04 -0.04 0.33 0.45 0.00 0.00 0.00 175.30 176.08 2k20 n SER 35 N 2.78 -1.83 0.28 -2.12 2.88 -0.46 -4.81 113.62 110.34 2k20 n SER 35 Ca -0.14 0.84 0.18 0.00 -1.33 0.00 0.00 58.87 58.43 2k20 n SER 35 Cb 0.58 -1.01 0.82 0.00 -0.75 0.00 0.00 64.21 63.85 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 0.52 0.00 0.00 -1.46 -0.00 -2.01 -3.38 116.57 110.24 2k20 h LYS 36 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.26 2k20 h LYS 36 Cb 1.42 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.65 2k20 h LYS 36 CO 0.49 0.00 0.00 0.39 -0.00 0.00 0.00 179.45 180.33 2k20 n GLU 37 N -2.99 0.00 -3.21 0.07 1.02 -1.26 -5.07 120.64 109.20 2k20 n GLU 37 Ca -0.00 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.94 2k20 n GLU 37 Cb 0.22 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.65 2k20 n GLU 37 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2k20 s ASN 38 N -0.69 5.82 -0.73 1.62 4.22 -1.26 -4.97 114.94 118.96 2k20 s ASN 38 Ca 0.00 -0.14 -0.25 0.00 -2.14 0.00 0.00 52.86 50.34 2k20 s ASN 38 Cb 0.00 -1.13 -0.20 0.00 1.28 0.00 0.00 41.25 41.19 2k20 s ASN 38 CO 0.00 -0.61 1.87 1.41 -2.04 0.00 0.00 177.10 177.73 2k20 n HIS 39 N -1.83 1.54 -3.81 1.54 8.25 -1.26 -3.55 115.22 116.10 2k20 n HIS 39 Ca 0.03 -1.24 -0.33 0.00 -0.26 0.00 0.00 57.72 55.91 2k20 n HIS 39 Cb 0.58 -1.81 -0.11 0.00 1.12 0.00 0.00 29.99 29.78 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 8.31 3.57 -0.36 -1.41 0.00 -1.26 -4.88 121.76 125.73 2k20 s ALA 40 Ca 0.65 -3.39 -0.41 0.00 0.00 0.00 0.00 51.96 48.82 2k20 s ALA 40 Cb 0.09 -2.46 -0.18 0.00 0.00 0.00 0.00 23.12 20.57 2k20 s ALA 40 CO 0.18 -2.08 1.35 -0.40 0.00 0.00 0.00 175.76 174.81 2k20 n ASP 41 N 3.09 0.88 -0.55 0.00 5.75 -1.26 -1.35 116.55 123.10 2k20 n ASP 41 Ca 0.09 1.06 0.08 0.00 -0.01 0.00 0.00 54.79 56.02 2k20 n ASP 41 Cb 0.35 -0.80 0.29 0.00 -1.03 0.00 0.00 41.12 39.93 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 3.16 1.64 0.00 -2.12 4.77 -1.06 -4.84 117.00 118.55 2k20 n LEU 42 Ca 0.26 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 2k20 n LEU 42 Cb -0.03 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2k20 n LEU 42 CO 0.76 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.80 2k20 n GLY 43 N 1.07 -2.33 3.50 -0.72 0.00 -1.26 -4.84 105.19 100.61 2k20 n GLY 43 Ca 0.14 -2.12 -0.31 0.00 0.00 0.00 0.00 46.02 43.72 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 -0.43 3.07 0.02 -0.61 -0.00 -1.26 -1.72 121.20 120.26 2k20 s ILE 44 Ca 0.00 -1.04 0.06 0.00 -0.00 0.00 0.00 60.65 59.66 2k20 s ILE 44 Cb 0.00 -2.30 -0.02 0.00 -0.00 0.00 0.00 42.46 40.14 2k20 s ILE 44 CO 0.00 0.36 -0.17 -0.36 -0.00 0.00 0.00 174.94 174.77 2k20 s PHE 45 N -0.94 1.49 -0.37 1.37 0.08 -0.48 -0.71 117.98 118.42 2k20 s PHE 45 Ca 0.15 -0.33 -0.27 0.00 0.12 0.00 0.00 56.93 56.61 2k20 s PHE 45 Cb -0.11 -0.91 -0.06 0.00 -0.57 0.00 0.00 43.02 41.37 2k20 s PHE 45 CO 0.06 0.03 2.33 0.08 -0.10 0.00 0.00 175.22 177.62 2k20 s VAL 46 N -0.64 3.00 0.06 -0.44 1.01 -0.83 -2.15 120.40 120.42 2k20 s VAL 46 Ca 0.05 0.00 -0.16 0.00 0.00 0.00 0.00 61.98 61.87 2k20 s VAL 46 Cb -0.07 -3.00 -0.17 0.00 0.00 0.00 0.00 36.38 33.13 2k20 s VAL 46 CO 0.01 -0.00 1.26 0.50 0.00 0.00 0.00 175.10 176.86 2k20 h LYS 47 N 17.71 0.62 -1.25 2.72 1.63 0.68 0.95 116.57 139.63 2k20 h LYS 47 Ca -0.31 -0.50 0.15 0.00 -0.85 0.00 0.00 60.65 59.13 2k20 h LYS 47 Cb 1.26 0.10 -0.24 0.00 -0.60 0.00 0.00 32.23 32.75 2k20 h LYS 47 CO 1.07 1.12 0.22 -1.12 -3.45 0.00 0.00 179.45 177.30 2k20 s SER 48 N -6.82 -0.62 -0.32 4.20 0.01 -0.84 -4.79 113.70 104.53 2k20 s SER 48 Ca -0.12 0.89 -0.25 0.00 1.31 0.00 0.00 55.95 57.78 2k20 s SER 48 Cb 0.07 1.61 0.01 0.00 0.21 0.00 0.00 66.02 67.91 2k20 s SER 48 CO 0.85 -0.13 0.87 -0.63 0.41 0.00 0.00 173.24 174.62 2k20 s ILE 49 N 2.21 4.70 -0.61 1.44 1.01 -1.26 0.29 121.20 128.98 2k20 s ILE 49 Ca -0.05 1.30 -0.29 0.00 0.00 0.00 0.00 60.65 61.61 2k20 s ILE 49 Cb -0.06 -4.23 -0.12 0.00 0.01 0.00 0.00 42.46 38.06 2k20 s ILE 49 CO -0.17 -0.34 2.46 -0.38 0.00 0.00 0.00 174.94 176.51 2k20 n ILE 50 N 5.67 -0.01 -1.58 2.92 -0.00 0.21 -4.77 119.36 121.81 2k20 n ILE 50 Ca 0.06 -0.47 -0.14 0.00 -0.00 0.00 0.00 62.75 62.20 2k20 n ILE 50 Cb 0.48 -1.94 -0.12 0.00 -0.00 0.00 0.00 39.64 38.06 2k20 n ILE 50 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 2k20 s ASN 51 N 10.41 3.35 0.00 4.38 4.22 -1.26 -0.75 114.94 135.29 2k20 s ASN 51 Ca 1.11 -0.89 0.00 0.00 -2.14 0.00 0.00 52.86 50.94 2k20 s ASN 51 Cb -0.61 -2.60 0.00 0.00 1.28 0.00 0.00 41.25 39.33 2k20 s ASN 51 CO 0.37 -4.83 0.00 0.61 -2.04 0.00 0.00 177.10 171.21 2k20 n GLY 52 N 6.19 0.82 0.40 0.45 0.00 -1.26 -5.08 105.19 106.72 2k20 n GLY 52 Ca 0.42 -0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.40 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 -3.11 0.25 -0.02 0.00 0.07 -4.65 105.19 97.74 2k20 n GLY 53 Ca 0.00 -1.35 -0.08 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.14 0.85 -0.39 4.61 0.00 0.18 -1.70 119.26 120.67 2k20 h ALA 54 Ca -0.05 -0.40 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 2k20 h ALA 54 Cb 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2k20 h ALA 54 CO 0.03 0.63 -0.02 0.00 0.00 0.00 0.00 179.25 179.90 2k20 h ALA 55 N 1.06 0.52 -0.08 0.00 0.00 0.44 0.25 119.26 121.47 2k20 h ALA 55 Ca 0.07 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 2k20 h ALA 55 Cb 0.80 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2k20 h ALA 55 CO 0.07 0.32 -0.48 0.77 0.00 0.00 0.00 179.25 179.93 2k20 h SER 56 N 0.52 0.21 0.34 0.00 0.02 -1.72 -2.85 113.55 110.07 2k20 h SER 56 Ca 0.11 -0.10 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 2k20 h SER 56 Cb 0.50 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 2k20 h SER 56 CO 0.02 0.66 -0.63 0.11 -1.14 0.00 0.00 176.83 175.86 2k20 h LYS 57 N 0.16 0.27 0.00 3.45 1.57 -1.08 -2.92 116.57 118.02 2k20 h LYS 57 Ca 0.01 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 2k20 h LYS 57 Cb 0.90 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.24 2k20 h LYS 57 CO 0.07 0.81 -0.07 0.22 -0.57 0.00 0.00 179.45 179.91 2k20 h ASP 58 N 0.20 0.00 -5.11 0.86 3.58 -0.70 -3.46 116.42 111.78 2k20 h ASP 58 Ca -0.01 0.00 -0.41 0.00 0.42 0.00 0.00 57.03 57.03 2k20 h ASP 58 Cb 1.15 0.00 0.09 0.00 1.72 0.00 0.00 39.33 42.29 2k20 h ASP 58 CO 0.10 0.07 -0.64 0.61 -2.88 0.00 0.00 179.24 176.50 2k20 n GLY 59 N -1.10 -0.53 0.00 -0.78 0.00 -1.11 -4.84 105.19 96.82 2k20 n GLY 59 Ca -0.03 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -4.47 1.12 -1.16 1.61 1.74 -1.26 -5.09 116.66 109.16 2k20 n ARG 60 Ca -0.06 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.70 2k20 n ARG 60 Cb 0.59 -0.71 0.11 0.00 -1.02 0.00 0.00 32.46 31.43 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 -2.84 3.08 -0.16 0.55 1.02 -1.26 -5.05 118.68 114.03 2k20 s LEU 61 Ca 0.00 2.12 -0.07 0.00 0.02 0.00 0.00 54.13 56.20 2k20 s LEU 61 Cb 0.00 -4.56 0.07 0.00 0.02 0.00 0.00 46.19 41.72 2k20 s LEU 61 CO 0.00 -2.44 0.34 -0.60 0.02 0.00 0.00 176.35 173.67 2k20 s ARG 62 N -4.46 0.27 0.44 1.70 6.06 -1.26 -5.03 118.95 116.66 2k20 s ARG 62 Ca 0.67 0.81 -0.25 0.00 -2.50 0.00 0.00 55.73 54.46 2k20 s ARG 62 Cb -0.23 0.06 -0.09 0.00 0.06 0.00 0.00 34.95 34.75 2k20 s ARG 62 CO 0.52 -0.22 1.27 0.28 -2.50 0.00 0.00 175.30 174.64 2k20 n VAL 63 N 4.92 2.68 -0.50 7.11 0.31 -1.26 -1.99 118.33 129.60 2k20 n VAL 63 Ca -0.14 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 2k20 n VAL 63 Cb 0.51 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.88 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 0.09 0.00 -4.68 4.52 3.02 0.33 -4.91 115.26 113.63 2k20 n ASN 64 Ca 0.07 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.19 2k20 n ASN 64 Cb 0.40 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.55 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 -3.10 7.15 0.15 6.41 1.11 -0.84 -4.63 116.67 122.91 2k20 s ASP 65 Ca 0.00 1.59 -0.30 0.00 0.18 0.00 0.00 52.55 54.02 2k20 s ASP 65 Cb 0.00 -2.55 -0.07 0.00 1.07 0.00 0.00 42.92 41.37 2k20 s ASP 65 CO 0.00 -0.55 1.13 -1.58 1.18 0.00 0.00 175.17 175.36 2k20 s GLN 66 N 2.38 4.54 0.09 8.23 0.74 -0.80 -1.96 119.66 132.89 2k20 s GLN 66 Ca 0.50 1.75 -0.23 0.00 0.05 0.00 0.00 55.36 57.43 2k20 s GLN 66 Cb -0.20 -3.29 -0.07 0.00 1.10 0.00 0.00 33.01 30.56 2k20 s GLN 66 CO 0.17 -0.02 0.70 -0.51 -0.55 0.00 0.00 175.29 175.08 2k20 s LEU 67 N -0.05 4.52 0.00 3.68 1.43 0.11 1.00 118.68 129.36 2k20 s LEU 67 Ca 0.52 1.43 0.00 0.00 -1.03 0.00 0.00 54.13 55.05 2k20 s LEU 67 Cb -0.30 -3.13 0.00 0.00 0.03 0.00 0.00 46.19 42.79 2k20 s LEU 67 CO 0.34 0.16 0.00 -0.38 0.23 0.00 0.00 176.35 176.70 2k20 n ILE 68 N 2.11 0.00 -4.03 -0.59 5.41 0.30 -4.55 119.36 118.00 2k20 n ILE 68 Ca -0.06 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.59 2k20 n ILE 68 Cb 0.50 -0.61 -0.06 0.00 -0.71 0.00 0.00 39.64 38.77 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 -1.95 0.04 -0.27 -1.39 0.00 -0.80 -0.28 121.76 117.11 2k20 s ALA 69 Ca 0.00 -1.05 -0.10 0.00 0.00 0.00 0.00 51.96 50.81 2k20 s ALA 69 Cb 0.00 1.12 0.11 0.00 0.00 0.00 0.00 23.12 24.35 2k20 s ALA 69 CO 0.00 -0.81 0.59 0.54 0.00 0.00 0.00 175.76 176.08 2k20 s VAL 70 N -3.94 -0.73 -1.88 0.00 0.11 0.13 -1.85 120.40 112.25 2k20 s VAL 70 Ca 0.25 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.35 2k20 s VAL 70 Cb 0.00 -0.90 0.00 0.00 -1.53 0.00 0.00 36.38 33.95 2k20 s VAL 70 CO 0.10 0.02 0.00 0.59 -3.33 0.00 0.00 175.10 172.48 2k20 n ASN 71 N 5.22 -5.56 0.00 3.54 3.02 0.17 -1.25 115.26 120.40 2k20 n ASN 71 Ca -0.13 0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 2k20 n ASN 71 Cb 0.51 -4.69 0.00 0.00 -0.61 0.00 0.00 39.78 34.99 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 -0.80 0.68 2.96 7.41 0.00 -1.26 -4.92 105.19 109.24 2k20 n GLY 72 Ca -0.22 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.86 1.87 0.62 1.61 2.02 -0.38 -5.13 118.70 117.45 2k20 s GLU 73 Ca 0.00 -0.45 -0.16 0.00 0.02 0.00 0.00 54.97 54.37 2k20 s GLU 73 Cb 0.00 -1.91 -0.02 0.00 0.10 0.00 0.00 34.13 32.30 2k20 s GLU 73 CO 0.00 -0.29 1.12 -1.54 0.02 0.00 0.00 175.26 174.57 2k20 s SER 74 N 1.59 5.32 -0.01 -0.19 1.04 -1.26 0.23 113.70 120.42 2k20 s SER 74 Ca 0.04 2.06 0.07 0.00 0.48 0.00 0.00 55.95 58.60 2k20 s SER 74 Cb -0.13 -2.56 -0.10 0.00 0.10 0.00 0.00 66.02 63.33 2k20 s SER 74 CO -0.09 -1.49 0.22 0.18 0.98 0.00 0.00 173.24 173.05 2k20 n LEU 75 N -2.03 0.15 0.28 2.42 4.77 0.62 -4.56 117.00 118.65 2k20 n LEU 75 Ca 0.11 -0.23 0.17 0.00 -0.03 0.00 0.00 56.01 56.02 2k20 n LEU 75 Cb 0.52 0.00 0.89 0.00 -2.33 0.00 0.00 43.42 42.50 2k20 n LEU 75 CO 0.46 0.04 1.05 -0.07 -1.33 0.00 0.00 177.39 177.54 2k20 h LEU 76 N 0.00 0.00 -2.11 2.23 3.38 -1.90 -1.02 115.31 115.88 2k20 h LEU 76 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2k20 h LEU 76 Cb 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2k20 h LEU 76 CO 0.00 0.00 0.03 0.61 0.09 0.00 0.00 178.44 179.17 2k20 n GLY 77 N -1.18 2.20 3.80 0.83 0.00 -1.26 -4.88 105.19 104.69 2k20 n GLY 77 Ca -0.02 -0.37 -0.07 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.65 1.69 1.06 1.61 -2.85 -0.39 -5.10 119.74 114.11 2k20 s LYS 78 Ca 0.22 -0.90 -0.16 0.00 -1.00 0.00 0.00 55.97 54.13 2k20 s LYS 78 Cb 0.17 0.60 0.22 0.00 -2.06 0.00 0.00 37.83 36.75 2k20 s LYS 78 CO 0.06 -0.77 1.14 0.00 0.10 0.00 0.00 175.35 175.88 2k20 s ALA 79 N -3.86 1.16 0.08 0.59 0.00 -1.26 -4.69 121.76 113.78 2k20 s ALA 79 Ca 0.10 -0.76 -0.34 0.00 0.00 0.00 0.00 51.96 50.95 2k20 s ALA 79 Cb -0.05 -2.95 -0.17 0.00 0.00 0.00 0.00 23.12 19.95 2k20 s ALA 79 CO 0.04 -2.98 1.59 -0.91 0.00 0.00 0.00 175.76 173.50 2k20 h ASN 80 N -2.06 -1.10 -0.51 0.00 2.35 -1.90 0.44 115.58 112.79 2k20 h ASN 80 Ca -0.48 0.07 0.05 0.00 -0.55 0.00 0.00 56.30 55.39 2k20 h ASN 80 Cb 1.30 0.34 -0.03 0.00 0.05 0.00 0.00 38.32 39.99 2k20 h ASN 80 CO 0.46 -0.63 0.34 0.06 -1.65 0.00 0.00 177.43 176.02 2k20 h GLN 81 N -0.97 0.50 -0.30 0.81 -0.00 -1.96 0.32 115.11 113.51 2k20 h GLN 81 Ca -0.07 -0.03 -0.17 0.00 -0.00 0.00 0.00 58.65 58.38 2k20 h GLN 81 Cb 0.81 -0.11 -0.00 0.00 -0.00 0.00 0.00 27.48 28.18 2k20 h GLN 81 CO 0.03 0.33 -0.50 0.93 -0.00 0.00 0.00 178.83 179.62 2k20 h GLU 82 N 0.52 0.84 -0.28 0.06 5.08 -1.81 -1.31 114.58 117.68 2k20 h GLU 82 Ca 0.21 -0.50 -0.10 0.00 -1.00 0.00 0.00 59.36 57.98 2k20 h GLU 82 Cb 0.20 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2k20 h GLU 82 CO -0.06 1.14 -0.21 0.00 -1.00 0.00 0.00 179.01 178.88 2k20 h ALA 83 N 0.77 0.40 0.00 3.43 0.00 0.12 0.20 119.26 124.18 2k20 h ALA 83 Ca 0.03 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 2k20 h ALA 83 Cb 1.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2k20 h ALA 83 CO 0.11 0.34 -0.21 0.52 0.00 0.00 0.00 179.25 180.01 2k20 h MET 84 N 0.37 0.00 0.11 0.00 2.86 -0.40 -0.43 114.93 117.44 2k20 h MET 84 Ca 0.05 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.42 2k20 h MET 84 Cb 0.75 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.42 2k20 h MET 84 CO 0.05 0.21 -1.20 1.49 1.06 0.00 0.00 176.91 178.53 2k20 h GLU 85 N 0.00 0.34 -0.44 1.72 4.57 -0.97 -1.56 114.58 118.25 2k20 h GLU 85 Ca -0.00 -0.52 -0.07 0.00 -1.18 0.00 0.00 59.36 57.59 2k20 h GLU 85 Cb 0.40 0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.15 2k20 h GLU 85 CO 0.03 1.22 -0.03 1.15 -1.18 0.00 0.00 179.01 180.19 2k20 h THR 86 N 0.12 1.24 0.07 0.32 2.02 0.18 -0.22 112.91 116.64 2k20 h THR 86 Ca -0.14 -1.02 -0.24 0.00 0.77 0.00 0.00 66.41 65.79 2k20 h THR 86 Cb 1.90 0.94 -0.00 0.00 -1.74 0.00 0.00 68.15 69.25 2k20 h THR 86 CO 0.20 0.35 -1.09 0.17 0.37 0.00 0.00 175.52 175.53 2k20 h LEU 87 N 0.68 0.38 -0.05 2.58 8.10 -1.14 -1.40 115.31 124.46 2k20 h LEU 87 Ca 0.13 -0.36 -0.00 0.00 0.11 0.00 0.00 57.88 57.76 2k20 h LEU 87 Cb 0.47 -0.12 -0.00 0.00 -0.44 0.00 0.00 40.66 40.57 2k20 h LEU 87 CO 0.02 1.23 0.03 -0.09 -4.11 0.00 0.00 178.44 175.52 2k20 h ARG 88 N 0.11 0.07 -0.10 0.17 2.43 -0.87 0.45 114.38 116.63 2k20 h ARG 88 Ca -0.09 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 58.98 2k20 h ARG 88 Cb 1.78 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.32 2k20 h ARG 88 CO 0.18 0.08 -0.28 0.07 -1.51 0.00 0.00 179.97 178.51 2k20 h ARG 89 N 0.04 0.37 0.00 0.20 -0.00 -1.12 0.30 114.38 114.16 2k20 h ARG 89 Ca 0.02 -0.26 -0.00 0.00 -0.00 0.00 0.00 59.98 59.74 2k20 h ARG 89 Cb 0.03 0.04 -0.00 0.00 -0.00 0.00 0.00 29.97 30.04 2k20 h ARG 89 CO -0.00 0.87 -0.01 0.66 -0.00 0.00 0.00 179.97 181.49 2k20 h SER 90 N -0.08 0.00 0.63 0.08 4.64 -1.17 0.21 113.55 117.87 2k20 h SER 90 Ca -0.01 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 2k20 h SER 90 Cb 0.89 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.94 2k20 h SER 90 CO 0.06 0.01 -1.51 0.00 -0.87 0.00 0.00 176.83 174.52 2k20 h MET 91 N 0.00 0.00 -0.60 4.77 -0.00 -0.01 0.90 114.93 119.99 2k20 h MET 91 Ca -0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 59.70 59.30 2k20 h MET 91 Cb 0.02 0.00 -0.26 0.00 -0.00 0.00 0.00 31.60 31.37 2k20 h MET 91 CO 0.00 0.56 -0.21 0.45 -0.00 0.00 0.00 176.91 177.71 2k20 n SER 92 N -3.09 4.25 0.00 -0.10 2.88 0.08 -2.87 113.62 114.78 2k20 n SER 92 Ca -0.12 -3.79 0.00 0.00 -1.33 0.00 0.00 58.87 53.63 2k20 n SER 92 Cb 1.00 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 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 -0.94 0.00 0.07 2.46 -1.04 0.65 -4.89 114.28 110.59 2k20 n THR 93 Ca 0.42 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.43 2k20 n THR 93 Cb 0.93 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.44 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 -0.14 0.00 0.24 -2.82 1.02 -1.07 -4.53 120.64 113.35 2k20 n GLU 94 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.25 2k20 n GLU 94 Cb 0.00 -0.40 0.62 0.00 -0.02 0.00 0.00 31.44 31.64 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 1.57 0.62 0.00 0.61 -2.59 103.07 103.29 2k20 h GLY 95 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 2k20 h GLY 95 CO 0.00 0.00 -1.13 -0.57 0.00 0.00 0.00 176.54 174.84 2k20 h ASN 96 N 0.00 0.50 -0.94 0.19 -0.00 -1.70 0.31 115.58 113.94 2k20 h ASN 96 Ca -0.00 -0.47 0.27 0.00 -0.00 0.00 0.00 56.30 56.10 2k20 h ASN 96 Cb 0.47 -0.16 -0.14 0.00 -0.00 0.00 0.00 38.32 38.49 2k20 h ASN 96 CO 0.02 1.32 0.40 0.11 -0.00 0.00 0.00 177.43 179.29 2k20 h LYS 97 N 0.14 0.28 0.00 6.67 1.79 -1.69 0.39 116.57 124.15 2k20 h LYS 97 Ca -0.12 -0.02 -0.21 0.00 -2.18 0.00 0.00 60.65 58.12 2k20 h LYS 97 Cb 1.82 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 32.37 2k20 h LYS 97 CO 0.19 0.19 -1.32 0.07 -1.08 0.00 0.00 179.45 177.50 2k20 h ARG 98 N 0.29 0.00 0.00 3.15 -0.00 -1.65 -3.48 114.38 112.69 2k20 h ARG 98 Ca 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.61 2k20 h ARG 98 Cb 1.34 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.31 2k20 h ARG 98 CO -0.62 0.52 0.00 0.41 -0.00 0.00 0.00 179.97 180.28 2k20 n GLY 99 N 1.42 1.20 3.54 0.08 0.00 0.14 -5.06 105.19 106.51 2k20 n GLY 99 Ca -0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 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 0.82 0.01 1.61 0.00 0.11 -0.88 119.30 120.97 2k20 s MET 100 Ca 0.00 0.74 0.03 0.00 0.00 0.00 0.00 55.69 56.46 2k20 s MET 100 Cb 0.00 0.40 -0.04 0.00 0.00 0.00 0.00 34.83 35.19 2k20 s MET 100 CO 0.00 -0.14 -0.03 -1.50 0.00 0.00 0.00 175.02 173.34 2k20 s ILE 101 N -0.02 3.89 0.14 3.16 2.07 0.12 -4.39 121.20 126.18 2k20 s ILE 101 Ca -0.03 -0.71 -0.23 0.00 -1.41 0.00 0.00 60.65 58.27 2k20 s ILE 101 Cb -0.04 -2.72 -0.08 0.00 0.13 0.00 0.00 42.46 39.75 2k20 s ILE 101 CO 0.03 0.37 0.71 -1.58 -1.91 0.00 0.00 174.94 172.55 2k20 s GLN 102 N -1.53 4.43 -0.01 3.50 -0.44 -1.26 -0.21 119.66 124.14 2k20 s GLN 102 Ca 0.19 1.01 0.04 0.00 -2.50 0.00 0.00 55.36 54.09 2k20 s GLN 102 Cb -0.11 -3.23 -0.01 0.00 -1.64 0.00 0.00 33.01 28.02 2k20 s GLN 102 CO 0.09 0.58 -0.12 -0.51 0.50 0.00 0.00 175.29 175.83 2k20 s LEU 103 N -1.20 2.02 -0.19 3.68 2.01 0.98 0.43 118.68 126.41 2k20 s LEU 103 Ca 0.34 -0.23 -0.00 0.00 0.01 0.00 0.00 54.13 54.25 2k20 s LEU 103 Cb -0.22 -0.64 0.05 0.00 0.01 0.00 0.00 46.19 45.39 2k20 s LEU 103 CO 0.24 0.15 -0.04 -0.63 1.01 0.00 0.00 176.35 177.07 2k20 s ILE 104 N -0.27 1.18 0.47 -0.59 1.01 -0.77 0.07 121.20 122.29 2k20 s ILE 104 Ca 0.04 -0.81 0.03 0.00 0.00 0.00 0.00 60.65 59.91 2k20 s ILE 104 Cb -0.05 -1.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.97 2k20 s ILE 104 CO -0.00 0.01 0.04 0.68 0.00 0.00 0.00 174.94 175.67 2k20 s VAL 105 N 1.58 1.13 -0.16 2.92 -7.23 -0.13 0.11 120.40 118.62 2k20 s VAL 105 Ca -0.02 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.11 2k20 s VAL 105 Cb -0.17 -2.33 0.08 0.00 0.56 0.00 0.00 36.38 34.52 2k20 s VAL 105 CO -0.07 0.00 0.29 0.00 -0.31 0.00 0.00 175.10 175.00 2k20 s ALA 106 N -2.95 -0.64 -0.06 1.32 0.00 0.28 0.02 121.76 119.73 2k20 s ALA 106 Ca 0.15 0.90 -0.02 0.00 0.00 0.00 0.00 51.96 52.99 2k20 s ALA 106 Cb 0.03 -1.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.95 2k20 s ALA 106 CO 0.08 -0.80 0.04 0.50 0.00 0.00 0.00 175.76 175.57 2k20 s ARG 107 N 2.44 3.02 0.31 0.00 3.52 -0.81 -1.90 118.95 125.53 2k20 s ARG 107 Ca 0.03 -0.43 -0.18 0.00 -0.13 0.00 0.00 55.73 55.02 2k20 s ARG 107 Cb -0.13 -2.83 -0.09 0.00 -1.56 0.00 0.00 34.95 30.34 2k20 s ARG 107 CO -0.10 0.69 0.77 0.50 -0.81 0.00 0.00 175.30 176.34 2k20 s ARG 108 N -1.21 4.13 -0.19 5.12 6.06 -1.26 -1.80 118.95 129.79 2k20 s ARG 108 Ca 0.17 0.81 0.16 0.00 -2.50 0.00 0.00 55.73 54.37 2k20 s ARG 108 Cb -0.12 -2.54 -0.24 0.00 0.06 0.00 0.00 34.95 32.12 2k20 s ARG 108 CO 0.06 0.20 0.08 -0.89 -2.50 0.00 0.00 175.30 172.26 2k20 n ILE 109 N -0.07 1.42 -0.52 4.11 5.41 -1.20 -4.98 119.36 123.53 2k20 n ILE 109 Ca 0.02 -0.82 0.00 0.00 1.00 0.00 0.00 62.75 62.95 2k20 n ILE 109 Cb 0.53 -0.61 0.00 0.00 -0.71 0.00 0.00 39.64 38.84 2k20 n ILE 109 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31