#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 2.90 -4.43 2.61 -2.24 -1.26 -5.01 114.28 106.85 2k20 n THR 8 Ca 0.00 -4.50 -0.31 0.00 -2.27 0.00 0.00 64.05 56.97 2k20 n THR 8 Cb 0.00 -1.24 -0.11 0.00 -2.10 0.00 0.00 70.33 66.88 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 -3.75 2.28 0.05 -0.78 3.52 -1.26 0.11 118.95 119.11 2k20 s ARG 9 Ca 0.51 -0.90 -0.16 0.00 -0.13 0.00 0.00 55.73 55.05 2k20 s ARG 9 Cb 0.42 -2.35 0.03 0.00 -1.56 0.00 0.00 34.95 31.49 2k20 s ARG 9 CO -0.23 0.55 0.36 -1.83 -0.81 0.00 0.00 175.30 173.34 2k20 s GLU 10 N -1.71 0.88 0.04 5.12 -1.05 -0.72 -4.92 118.70 116.35 2k20 s GLU 10 Ca 0.18 -0.46 -0.00 0.00 -0.15 0.00 0.00 54.97 54.54 2k20 s GLU 10 Cb -0.11 0.39 -0.04 0.00 -0.44 0.00 0.00 34.13 33.93 2k20 s GLU 10 CO 0.09 -0.30 0.19 -0.06 0.95 0.00 0.00 175.26 176.13 2k20 s PHE 11 N -2.62 3.49 -0.19 4.83 0.40 -1.26 -1.83 117.98 120.79 2k20 s PHE 11 Ca -0.04 0.26 -0.02 0.00 -0.60 0.00 0.00 56.93 56.52 2k20 s PHE 11 Cb -0.01 -1.76 0.06 0.00 0.51 0.00 0.00 43.02 41.82 2k20 s PHE 11 CO -0.04 0.60 0.02 -0.51 0.70 0.00 0.00 175.22 175.99 2k20 s LEU 12 N -2.34 1.27 -0.13 -0.37 1.43 0.15 -4.96 118.68 113.74 2k20 s LEU 12 Ca 0.32 -0.80 -0.13 0.00 -1.03 0.00 0.00 54.13 52.49 2k20 s LEU 12 Cb -0.13 -0.65 -0.05 0.00 0.03 0.00 0.00 46.19 45.40 2k20 s LEU 12 CO 0.25 -0.29 0.30 -0.89 0.23 0.00 0.00 176.35 175.94 2k20 s THR 13 N 1.82 5.29 0.24 5.49 2.01 -1.26 -1.59 115.64 127.63 2k20 s THR 13 Ca -0.01 0.56 0.00 0.00 0.31 0.00 0.00 61.69 62.56 2k20 s THR 13 Cb -0.17 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 2k20 s THR 13 CO -0.08 0.44 0.19 -0.36 -0.69 0.00 0.00 174.62 174.12 2k20 s PHE 14 N 0.10 1.27 -0.20 4.92 0.08 0.11 -4.97 117.98 119.30 2k20 s PHE 14 Ca 0.17 -1.42 -0.01 0.00 0.12 0.00 0.00 56.93 55.80 2k20 s PHE 14 Cb -0.13 -0.55 0.05 0.00 -0.57 0.00 0.00 43.02 41.82 2k20 s PHE 14 CO 0.05 -0.72 -0.03 -1.21 -0.10 0.00 0.00 175.22 173.21 2k20 s GLU 15 N -3.95 1.32 -0.36 0.44 8.01 -1.26 0.06 118.70 122.96 2k20 s GLU 15 Ca 0.38 -0.67 -0.11 0.00 0.01 0.00 0.00 54.97 54.58 2k20 s GLU 15 Cb 0.05 -2.25 0.01 0.00 -4.31 0.00 0.00 34.13 27.64 2k20 s GLU 15 CO 0.16 -0.54 0.21 0.08 0.01 0.00 0.00 175.26 175.18 2k20 s VAL 16 N 1.60 4.77 -0.07 2.63 1.01 0.69 -4.89 120.40 126.14 2k20 s VAL 16 Ca -0.02 -0.64 -0.28 0.00 0.00 0.00 0.00 61.98 61.04 2k20 s VAL 16 Cb -0.17 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 2k20 s VAL 16 CO -0.07 -0.14 0.90 -2.16 0.00 0.00 0.00 175.10 173.63 2k20 s PRO 17 N 1.61 4.45 -0.17 2.72 0.04 -1.26 -0.36 135.00 142.04 2k20 s PRO 17 Ca 0.04 1.22 0.13 0.00 0.04 0.00 0.00 61.00 62.44 2k20 s PRO 17 Cb -0.18 -3.50 0.40 0.00 0.04 0.00 0.00 34.50 31.26 2k20 s PRO 17 CO 0.08 -0.14 1.20 1.47 0.04 0.00 0.00 177.00 179.65 2k20 n LEU 18 N 4.37 2.42 -0.63 -3.56 -0.00 0.23 -4.52 117.00 115.30 2k20 n LEU 18 Ca 0.05 -3.53 0.48 0.00 -0.00 0.00 0.00 56.01 53.01 2k20 n LEU 18 Cb 0.50 -0.45 0.76 0.00 -0.00 0.00 0.00 43.42 44.23 2k20 n LEU 18 CO 0.50 1.20 1.37 -0.46 -0.00 0.00 0.00 177.39 180.00 2k20 n ASN 19 N -0.96 0.05 -0.04 1.45 6.94 -1.15 0.12 115.26 121.68 2k20 n ASN 19 Ca 0.17 1.05 -0.04 0.00 -0.02 0.00 0.00 54.58 55.74 2k20 n ASN 19 Cb 0.74 -0.52 -0.05 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 -4.04 3.33 0.00 0.53 8.00 -1.26 -4.52 116.55 118.59 2k20 n ASP 20 Ca 0.42 -0.01 0.08 0.00 0.71 0.00 0.00 54.79 55.99 2k20 n ASP 20 Cb 1.84 0.44 0.38 0.00 -0.02 0.00 0.00 41.12 43.76 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 -0.34 -2.24 2.88 0.49 -3.55 113.62 108.47 2k20 n SER 21 Ca -0.12 0.26 0.36 0.00 -1.33 0.00 0.00 58.87 58.04 2k20 n SER 21 Cb 0.70 -0.38 0.71 0.00 -0.75 0.00 0.00 64.21 64.49 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 2.74 0.00 1.24 0.46 0.00 0.75 0.95 103.07 109.21 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 -1.53 1.48 0.00 0.00 0.00 176.54 176.49 2k20 h SER 23 N 0.00 0.27 -0.21 0.19 4.64 -1.84 -3.29 113.55 113.31 2k20 h SER 23 Ca 0.59 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2k20 h SER 23 Cb 2.61 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 64.61 2k20 h SER 23 CO -0.01 1.34 0.00 0.00 -0.87 0.00 0.00 176.83 177.29 2k20 n ALA 24 N -2.63 2.50 0.00 5.18 0.00 0.30 -4.93 120.51 120.92 2k20 n ALA 24 Ca -0.16 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.82 2k20 n ALA 24 Cb 1.03 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.43 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 1.01 1.90 0.00 0.00 0.00 0.55 -3.60 105.19 105.04 2k20 n GLY 25 Ca 0.13 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.66 117.00 120.04 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 -0.18 1.81 3.30 -3.96 0.00 -1.24 0.19 105.19 105.11 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 0.09 -0.18 1.61 -7.23 -1.26 0.18 120.40 111.61 2k20 s VAL 28 Ca 0.00 -0.89 0.01 0.00 -1.81 0.00 0.00 61.98 59.29 2k20 s VAL 28 Cb 0.00 -1.34 0.03 0.00 0.56 0.00 0.00 36.38 35.63 2k20 s VAL 28 CO 0.00 -0.41 -0.15 -0.44 -0.31 0.00 0.00 175.10 173.78 2k20 s SER 29 N -2.85 3.13 -0.04 4.85 0.01 0.99 -4.86 113.70 114.93 2k20 s SER 29 Ca 0.06 -0.70 0.02 0.00 1.31 0.00 0.00 55.95 56.64 2k20 s SER 29 Cb 0.03 -1.33 -0.03 0.00 0.21 0.00 0.00 66.02 64.90 2k20 s SER 29 CO -0.10 -0.06 -0.07 0.68 0.41 0.00 0.00 173.24 174.10 2k20 s VAL 30 N 1.36 3.66 -0.03 3.43 -7.23 -1.26 0.18 120.40 120.51 2k20 s VAL 30 Ca 0.03 -0.61 -0.01 0.00 -1.81 0.00 0.00 61.98 59.59 2k20 s VAL 30 Cb -0.14 -2.53 0.03 0.00 0.56 0.00 0.00 36.38 34.30 2k20 s VAL 30 CO -0.11 0.52 0.05 -1.59 -0.31 0.00 0.00 175.10 173.66 2k20 s LYS 31 N -1.05 -0.01 0.43 4.82 -2.85 -0.95 -4.86 119.74 115.26 2k20 s LYS 31 Ca 0.14 0.21 -0.02 0.00 -1.00 0.00 0.00 55.97 55.30 2k20 s LYS 31 Cb -0.11 -0.22 -0.03 0.00 -2.06 0.00 0.00 37.83 35.41 2k20 s LYS 31 CO 0.04 -0.16 0.68 0.20 0.10 0.00 0.00 175.35 176.20 2k20 s GLY 32 N 1.04 1.44 0.53 0.59 0.00 -1.25 -1.86 107.32 107.81 2k20 s GLY 32 Ca -0.09 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 43.89 2k20 s GLY 32 CO -0.03 -0.62 0.02 -1.31 0.00 0.00 0.00 173.10 171.15 2k20 s ASN 33 N -4.10 4.20 0.17 1.64 0.01 -0.68 -4.97 114.94 111.20 2k20 s ASN 33 Ca 0.45 -1.69 0.08 0.00 -0.71 0.00 0.00 52.86 50.99 2k20 s ASN 33 Cb -0.10 0.68 -0.04 0.00 0.41 0.00 0.00 41.25 42.20 2k20 s ASN 33 CO 0.40 -0.94 -0.17 -0.13 -1.51 0.00 0.00 177.10 174.75 2k20 s ARG 34 N -3.93 1.26 0.37 -0.60 0.52 -1.26 -0.86 118.95 114.45 2k20 s ARG 34 Ca 0.02 -1.41 -0.28 0.00 -0.52 0.00 0.00 55.73 53.54 2k20 s ARG 34 Cb -0.00 -1.27 -0.11 0.00 0.52 0.00 0.00 34.95 34.09 2k20 s ARG 34 CO 0.01 0.25 1.35 0.45 0.02 0.00 0.00 175.30 177.38 2k20 n SER 35 N 0.24 3.04 0.23 0.23 2.88 0.34 -4.79 113.62 115.79 2k20 n SER 35 Ca -0.13 1.20 0.07 0.00 -1.33 0.00 0.00 58.87 58.68 2k20 n SER 35 Cb 0.57 -1.53 0.56 0.00 -0.75 0.00 0.00 64.21 63.06 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 2.58 0.00 0.00 -1.46 1.57 -2.00 -3.34 116.57 113.92 2k20 h LYS 36 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2k20 h LYS 36 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 2k20 h LYS 36 CO 0.62 0.19 0.00 0.39 -0.57 0.00 0.00 179.45 180.08 2k20 n GLU 37 N -4.06 0.00 -2.72 3.15 1.02 -1.26 -5.00 120.64 111.76 2k20 n GLU 37 Ca -0.02 0.19 -0.22 0.00 -0.02 0.00 0.00 57.16 57.09 2k20 n GLU 37 Cb 0.26 -0.63 0.09 0.00 -0.02 0.00 0.00 31.44 31.14 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 -2.15 4.64 -1.13 1.62 2.20 -1.25 -5.00 114.94 113.87 2k20 s ASN 38 Ca 0.00 -0.48 -0.04 0.00 -0.94 0.00 0.00 52.86 51.40 2k20 s ASN 38 Cb 0.00 -0.00 0.17 0.00 -2.00 0.00 0.00 41.25 39.42 2k20 s ASN 38 CO 0.00 -1.65 2.28 1.41 -2.94 0.00 0.00 177.10 176.21 2k20 n HIS 39 N -2.62 2.54 -5.00 1.54 8.25 -1.26 -3.63 115.22 115.04 2k20 n HIS 39 Ca 0.15 -2.63 -0.32 0.00 -0.26 0.00 0.00 57.72 54.65 2k20 n HIS 39 Cb 0.61 -1.60 -0.15 0.00 1.12 0.00 0.00 29.99 29.96 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 -2.12 2.42 0.49 -1.41 0.00 -1.26 -4.90 121.76 114.97 2k20 s ALA 40 Ca 0.51 -0.94 -0.24 0.00 0.00 0.00 0.00 51.96 51.29 2k20 s ALA 40 Cb 0.22 -0.99 -0.07 0.00 0.00 0.00 0.00 23.12 22.28 2k20 s ALA 40 CO -0.13 0.31 1.38 -0.40 0.00 0.00 0.00 175.76 176.92 2k20 n ASP 41 N 3.33 2.93 -0.08 0.00 5.68 -1.26 0.13 116.55 127.28 2k20 n ASP 41 Ca -0.18 1.05 -0.08 0.00 -0.50 0.00 0.00 54.79 55.08 2k20 n ASP 41 Cb 0.53 -1.58 -0.11 0.00 -1.14 0.00 0.00 41.12 38.81 2k20 n ASP 41 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2k20 n LEU 42 N -0.50 0.29 0.00 -2.12 4.77 -0.04 -4.72 117.00 114.69 2k20 n LEU 42 Ca 0.08 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 2k20 n LEU 42 Cb 0.43 0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 2k20 n LEU 42 CO 0.57 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 2k20 n GLY 43 N 2.14 -0.28 3.64 -0.72 0.00 -1.26 -4.96 105.19 103.75 2k20 n GLY 43 Ca -0.25 -1.65 -0.31 0.00 0.00 0.00 0.00 46.02 43.82 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 -2.03 3.78 -0.01 -0.61 -0.00 -1.26 -1.69 121.20 119.38 2k20 s ILE 44 Ca 0.00 -0.97 0.02 0.00 -0.00 0.00 0.00 60.65 59.70 2k20 s ILE 44 Cb 0.00 -2.75 -0.00 0.00 -0.00 0.00 0.00 42.46 39.71 2k20 s ILE 44 CO 0.00 0.21 -0.07 -0.36 -0.00 0.00 0.00 174.94 174.72 2k20 s PHE 45 N -1.19 0.67 -0.49 1.37 0.40 -0.78 -1.19 117.98 116.77 2k20 s PHE 45 Ca 0.22 -0.14 -0.30 0.00 -0.60 0.00 0.00 56.93 56.12 2k20 s PHE 45 Cb -0.11 -0.46 -0.10 0.00 0.51 0.00 0.00 43.02 42.86 2k20 s PHE 45 CO 0.14 -0.04 2.37 0.28 0.70 0.00 0.00 175.22 178.67 2k20 n VAL 46 N 3.07 0.07 -0.03 -0.44 0.31 -0.29 -2.23 118.33 118.79 2k20 n VAL 46 Ca -0.15 -0.47 -0.16 0.00 -0.01 0.00 0.00 64.34 63.55 2k20 n VAL 46 Cb 0.56 -2.07 -0.08 0.00 -0.91 0.00 0.00 33.84 31.35 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 15.66 0.57 -1.39 5.55 1.63 0.16 0.71 116.57 139.46 2k20 h LYS 47 Ca -0.24 -0.45 0.13 0.00 -0.85 0.00 0.00 60.65 59.24 2k20 h LYS 47 Cb 1.29 0.09 -0.25 0.00 -0.60 0.00 0.00 32.23 32.75 2k20 h LYS 47 CO 1.13 1.07 0.25 -1.12 -3.45 0.00 0.00 179.45 177.33 2k20 s SER 48 N -6.72 -0.62 -0.32 4.20 0.01 -0.87 -4.78 113.70 104.61 2k20 s SER 48 Ca -0.12 0.92 -0.22 0.00 1.31 0.00 0.00 55.95 57.84 2k20 s SER 48 Cb 0.06 1.50 -0.00 0.00 0.21 0.00 0.00 66.02 67.79 2k20 s SER 48 CO 0.84 -0.14 0.70 -0.63 0.41 0.00 0.00 173.24 174.42 2k20 s ILE 49 N 1.95 4.87 -0.44 1.44 1.01 -1.26 -0.01 121.20 128.76 2k20 s ILE 49 Ca -0.06 0.93 -0.30 0.00 0.00 0.00 0.00 60.65 61.22 2k20 s ILE 49 Cb -0.05 -4.08 -0.09 0.00 0.01 0.00 0.00 42.46 38.25 2k20 s ILE 49 CO -0.17 -0.23 2.34 -0.38 0.00 0.00 0.00 174.94 176.51 2k20 n ILE 50 N 5.50 0.11 -1.41 2.92 -0.00 0.48 -4.79 119.36 122.16 2k20 n ILE 50 Ca 0.01 -0.49 -0.29 0.00 -0.00 0.00 0.00 62.75 61.98 2k20 n ILE 50 Cb 0.48 -2.19 -0.10 0.00 -0.00 0.00 0.00 39.64 37.84 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 12.67 1.89 0.00 4.38 6.94 -1.26 -1.17 115.26 138.71 2k20 n ASN 51 Ca 0.39 -2.58 0.00 0.00 -0.02 0.00 0.00 54.58 52.38 2k20 n ASN 51 Cb 0.38 -1.38 0.00 0.00 -2.36 0.00 0.00 39.78 36.42 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 5.57 0.41 0.22 4.83 0.00 -1.26 -5.07 105.19 109.88 2k20 n GLY 52 Ca 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.45 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 -2.65 0.27 -0.02 0.00 -0.32 -4.70 105.19 97.78 2k20 n GLY 53 Ca 0.00 -1.42 -0.09 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.06 0.79 -0.32 4.61 0.00 0.18 -1.83 119.26 120.63 2k20 h ALA 54 Ca -0.03 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 2k20 h ALA 54 Cb 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2k20 h ALA 54 CO 0.02 0.65 -0.10 0.00 0.00 0.00 0.00 179.25 179.82 2k20 h ALA 55 N 0.99 0.45 -0.19 0.00 0.00 0.75 -1.09 119.26 120.16 2k20 h ALA 55 Ca 0.10 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 2k20 h ALA 55 Cb 0.76 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2k20 h ALA 55 CO 0.06 0.30 -0.25 0.66 0.00 0.00 0.00 179.25 180.02 2k20 h SER 56 N 0.41 0.35 0.23 0.00 4.64 -1.71 -2.66 113.55 114.81 2k20 h SER 56 Ca 0.08 -0.11 -0.14 0.00 -0.47 0.00 0.00 61.79 61.15 2k20 h SER 56 Cb 0.60 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 2k20 h SER 56 CO 0.04 0.60 -0.52 0.11 -0.87 0.00 0.00 176.83 176.19 2k20 h LYS 57 N 0.31 0.32 -0.16 4.77 1.57 -1.14 -2.89 116.57 119.35 2k20 h LYS 57 Ca 0.05 -0.19 0.05 0.00 -1.87 0.00 0.00 60.65 58.68 2k20 h LYS 57 Cb 0.62 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 2k20 h LYS 57 CO 0.04 0.77 0.13 0.22 -0.57 0.00 0.00 179.45 180.04 2k20 h ASP 58 N 0.25 0.00 -1.71 0.86 3.58 -0.83 -3.45 116.42 115.12 2k20 h ASP 58 Ca 0.01 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.09 2k20 h ASP 58 Cb 1.00 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 41.97 2k20 h ASP 58 CO 0.09 0.00 -0.40 0.61 -2.88 0.00 0.00 179.24 176.66 2k20 n GLY 59 N -1.49 0.70 0.00 -0.78 0.00 -1.09 -4.80 105.19 97.72 2k20 n GLY 59 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.60 2.16 -1.34 1.61 1.74 -1.26 -5.07 116.66 111.90 2k20 n ARG 60 Ca -0.20 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.58 2k20 n ARG 60 Cb 0.63 -0.87 0.11 0.00 -1.02 0.00 0.00 32.46 31.31 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 -2.63 2.51 -0.27 0.55 1.02 -1.26 -5.06 118.68 113.54 2k20 s LEU 61 Ca 0.00 1.48 -0.24 0.00 0.02 0.00 0.00 54.13 55.39 2k20 s LEU 61 Cb 0.00 -4.02 0.07 0.00 0.02 0.00 0.00 46.19 42.26 2k20 s LEU 61 CO 0.00 -2.30 0.73 0.00 0.02 0.00 0.00 176.35 174.81 2k20 s ARG 62 N -5.00 0.81 0.41 1.70 3.03 -1.26 -5.03 118.95 113.60 2k20 s ARG 62 Ca 0.62 1.00 -0.25 0.00 2.03 0.00 0.00 55.73 59.14 2k20 s ARG 62 Cb -0.17 0.37 -0.08 0.00 -1.03 0.00 0.00 34.95 34.04 2k20 s ARG 62 CO 0.56 -0.10 1.16 0.08 -1.13 0.00 0.00 175.30 175.87 2k20 s VAL 63 N 0.52 3.17 0.00 4.99 1.01 -1.26 -3.17 120.40 125.66 2k20 s VAL 63 Ca -0.01 0.95 0.00 0.00 0.00 0.00 0.00 61.98 62.92 2k20 s VAL 63 Cb -0.05 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.81 2k20 s VAL 63 CO -0.02 0.06 0.00 0.59 0.00 0.00 0.00 175.10 175.73 2k20 n ASN 64 N -0.07 0.00 -4.73 3.32 3.02 0.25 -4.93 115.26 112.12 2k20 n ASN 64 Ca 0.05 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.19 2k20 n ASN 64 Cb 0.47 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.60 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 -3.03 7.34 0.17 6.41 1.11 -1.19 -4.68 116.67 122.80 2k20 s ASP 65 Ca 0.00 1.61 -0.27 0.00 0.18 0.00 0.00 52.55 54.07 2k20 s ASP 65 Cb 0.00 -2.53 -0.08 0.00 1.07 0.00 0.00 42.92 41.38 2k20 s ASP 65 CO 0.00 -0.09 0.84 -1.58 1.18 0.00 0.00 175.17 175.52 2k20 s GLN 66 N 0.28 4.66 -0.06 8.23 0.74 -0.80 -1.14 119.66 131.57 2k20 s GLN 66 Ca 0.45 1.27 -0.21 0.00 0.05 0.00 0.00 55.36 56.92 2k20 s GLN 66 Cb -0.21 -3.29 -0.04 0.00 1.10 0.00 0.00 33.01 30.56 2k20 s GLN 66 CO 0.26 0.50 0.59 -0.51 -0.55 0.00 0.00 175.29 175.59 2k20 s LEU 67 N -0.96 4.34 -0.07 3.68 1.43 -0.33 0.11 118.68 126.89 2k20 s LEU 67 Ca 0.38 1.07 0.05 0.00 -1.03 0.00 0.00 54.13 54.60 2k20 s LEU 67 Cb -0.24 -2.91 -0.08 0.00 0.03 0.00 0.00 46.19 43.00 2k20 s LEU 67 CO 0.28 -0.00 0.00 -0.38 0.23 0.00 0.00 176.35 176.48 2k20 n ILE 68 N 3.36 0.48 -3.91 -0.59 2.08 0.37 -4.62 119.36 116.54 2k20 n ILE 68 Ca -0.05 -0.27 -0.08 0.00 0.56 0.00 0.00 62.75 62.91 2k20 n ILE 68 Cb 0.51 -0.81 -0.03 0.00 -0.75 0.00 0.00 39.64 38.56 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 -2.17 -0.81 -0.26 -1.39 0.00 -0.49 0.54 121.76 117.18 2k20 s ALA 69 Ca -0.05 -0.56 -0.13 0.00 0.00 0.00 0.00 51.96 51.21 2k20 s ALA 69 Cb 0.02 0.92 0.09 0.00 0.00 0.00 0.00 23.12 24.15 2k20 s ALA 69 CO 0.27 -0.97 0.62 0.54 0.00 0.00 0.00 175.76 176.22 2k20 s VAL 70 N -3.80 -0.24 -2.08 0.00 0.11 0.45 -1.59 120.40 113.24 2k20 s VAL 70 Ca 0.16 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.23 2k20 s VAL 70 Cb -0.04 -0.92 0.00 0.00 -1.53 0.00 0.00 36.38 33.89 2k20 s VAL 70 CO 0.08 0.01 0.00 0.59 -3.33 0.00 0.00 175.10 172.45 2k20 n ASN 71 N 4.60 -5.61 0.00 3.54 3.02 0.12 -1.10 115.26 119.83 2k20 n ASN 71 Ca -0.18 0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 2k20 n ASN 71 Cb 0.56 -4.85 0.00 0.00 -0.61 0.00 0.00 39.78 34.88 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 -0.59 0.85 2.82 7.41 0.00 -1.26 -4.93 105.19 109.49 2k20 n GLY 72 Ca -0.22 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.08 1.05 0.27 1.61 2.02 -0.26 -5.12 118.70 116.18 2k20 s GLU 73 Ca 0.00 -0.76 -0.29 0.00 0.02 0.00 0.00 54.97 53.94 2k20 s GLU 73 Cb 0.00 -2.30 -0.09 0.00 0.10 0.00 0.00 34.13 31.84 2k20 s GLU 73 CO 0.00 -0.68 1.21 0.45 0.02 0.00 0.00 175.26 176.26 2k20 s SER 74 N 1.63 7.04 0.00 -0.19 0.15 -1.26 -0.41 113.70 120.66 2k20 s SER 74 Ca -0.01 2.40 0.22 0.00 0.70 0.00 0.00 55.95 59.26 2k20 s SER 74 Cb -0.18 -2.63 -0.18 0.00 -1.71 0.00 0.00 66.02 61.33 2k20 s SER 74 CO -0.10 -0.35 0.84 0.18 1.20 0.00 0.00 173.24 175.01 2k20 n LEU 75 N 1.53 0.67 -4.54 3.45 4.32 0.19 -4.89 117.00 117.73 2k20 n LEU 75 Ca 0.01 -0.27 -0.26 0.00 -0.02 0.00 0.00 56.01 55.46 2k20 n LEU 75 Cb 0.44 -0.03 -0.10 0.00 -1.62 0.00 0.00 43.42 42.11 2k20 n LEU 75 CO 0.56 0.15 1.80 -0.11 -1.22 0.00 0.00 177.39 178.57 2k20 n LEU 76 N -1.77 1.08 0.00 2.23 7.94 -1.23 -0.91 117.00 124.34 2k20 n LEU 76 Ca 0.02 -0.74 0.00 0.00 -1.11 0.00 0.00 56.01 54.18 2k20 n LEU 76 Cb 0.41 -1.30 0.00 0.00 0.53 0.00 0.00 43.42 43.05 2k20 n LEU 76 CO 0.43 -1.78 0.00 0.61 -1.11 0.00 0.00 177.39 175.54 2k20 n GLY 77 N 6.27 1.55 3.94 -3.96 0.00 -1.26 -5.13 105.19 106.59 2k20 n GLY 77 Ca 0.51 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 46.21 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 3.48 0.31 1.61 -2.85 -0.09 -5.05 119.74 117.15 2k20 s LYS 78 Ca 0.00 -0.47 -0.28 0.00 -1.00 0.00 0.00 55.97 54.21 2k20 s LYS 78 Cb 0.00 -2.84 -0.13 0.00 -2.06 0.00 0.00 37.83 32.80 2k20 s LYS 78 CO 0.00 0.38 1.18 0.00 0.10 0.00 0.00 175.35 177.01 2k20 n ALA 79 N -1.03 0.61 -0.10 0.59 0.00 -1.26 -4.62 120.51 114.70 2k20 n ALA 79 Ca -0.06 0.38 0.26 0.00 0.00 0.00 0.00 53.44 54.02 2k20 n ALA 79 Cb 0.55 -2.15 0.71 0.00 0.00 0.00 0.00 19.45 18.56 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 2.47 0.00 -0.09 0.00 7.08 -1.89 0.72 115.58 123.87 2k20 h ASN 80 Ca -0.43 0.00 -0.19 0.00 -3.08 0.00 0.00 56.30 52.60 2k20 h ASN 80 Cb 1.31 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 37.56 2k20 h ASN 80 CO 0.63 0.00 -0.69 -0.61 -2.08 0.00 0.00 177.43 174.68 2k20 h GLN 81 N 0.00 0.62 -0.11 4.14 4.15 -1.93 -1.69 115.11 120.28 2k20 h GLN 81 Ca 0.36 -0.55 -0.12 0.00 0.77 0.00 0.00 58.65 59.11 2k20 h GLN 81 Cb 1.63 0.13 -0.01 0.00 0.21 0.00 0.00 27.48 29.44 2k20 h GLN 81 CO -0.00 1.17 -0.48 0.93 -1.93 0.00 0.00 178.83 178.51 2k20 h GLU 82 N 0.26 0.28 -0.20 1.69 4.39 -0.16 -1.95 114.58 118.89 2k20 h GLU 82 Ca -0.06 -0.15 -0.07 0.00 0.34 0.00 0.00 59.36 59.42 2k20 h GLU 82 Cb 1.34 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.99 2k20 h GLU 82 CO 0.14 0.70 -0.13 0.00 -1.16 0.00 0.00 179.01 178.56 2k20 h ALA 83 N 1.27 0.29 -0.00 3.43 0.00 -0.09 0.38 119.26 124.53 2k20 h ALA 83 Ca 0.01 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 2k20 h ALA 83 Cb 0.93 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2k20 h ALA 83 CO 0.08 0.16 -0.17 0.00 0.00 0.00 0.00 179.25 179.31 2k20 h MET 84 N 0.13 0.01 0.06 0.00 -0.00 -1.22 0.86 114.93 114.77 2k20 h MET 84 Ca 0.04 -0.00 -0.24 0.00 -0.00 0.00 0.00 59.70 59.50 2k20 h MET 84 Cb 0.64 -0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.24 2k20 h MET 84 CO 0.04 0.18 -1.07 1.49 -0.00 0.00 0.00 176.91 177.54 2k20 h GLU 85 N 0.01 0.21 -0.27 -0.10 4.57 -1.10 -1.58 114.58 116.32 2k20 h GLU 85 Ca -0.00 -0.30 -0.11 0.00 -1.18 0.00 0.00 59.36 57.76 2k20 h GLU 85 Cb 0.31 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 2k20 h GLU 85 CO 0.02 1.10 -0.31 1.15 -1.18 0.00 0.00 179.01 179.79 2k20 h THR 86 N 0.08 1.28 0.06 0.32 2.02 0.97 -1.15 112.91 116.49 2k20 h THR 86 Ca -0.08 -1.41 -0.24 0.00 0.77 0.00 0.00 66.41 65.45 2k20 h THR 86 Cb 1.77 1.41 -0.00 0.00 -1.74 0.00 0.00 68.15 69.59 2k20 h THR 86 CO 0.17 0.45 -1.07 0.17 0.37 0.00 0.00 175.52 175.61 2k20 h LEU 87 N 0.49 0.34 0.12 2.58 8.10 -0.90 -1.67 115.31 124.38 2k20 h LEU 87 Ca 0.06 -0.32 -0.01 0.00 0.11 0.00 0.00 57.88 57.72 2k20 h LEU 87 Cb 0.78 -0.11 0.00 0.00 -0.44 0.00 0.00 40.66 40.90 2k20 h LEU 87 CO 0.06 1.20 -0.06 -0.09 -4.11 0.00 0.00 178.44 175.44 2k20 h ARG 88 N 0.10 -0.16 -0.11 0.17 2.43 -1.02 0.92 114.38 116.70 2k20 h ARG 88 Ca -0.09 0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 58.93 2k20 h ARG 88 Cb 1.76 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 31.34 2k20 h ARG 88 CO 0.17 -0.10 -0.63 0.07 -1.51 0.00 0.00 179.97 177.97 2k20 h ARG 89 N -0.18 0.42 0.00 0.20 -0.00 -1.29 -0.11 114.38 113.42 2k20 h ARG 89 Ca -0.02 -0.30 -0.13 0.00 -0.00 0.00 0.00 59.98 59.53 2k20 h ARG 89 Cb 0.14 0.05 -0.02 0.00 -0.00 0.00 0.00 29.97 30.14 2k20 h ARG 89 CO 0.03 0.92 -0.63 0.66 -0.00 0.00 0.00 179.97 180.94 2k20 h SER 90 N 0.31 0.00 0.97 0.08 4.64 -1.09 -0.60 113.55 117.86 2k20 h SER 90 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2k20 h SER 90 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2k20 h SER 90 CO 0.11 0.63 -0.77 0.00 -0.87 0.00 0.00 176.83 175.93 2k20 h MET 91 N 0.00 0.00 0.00 4.77 -0.00 0.98 1.07 114.93 121.75 2k20 h MET 91 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.69 2k20 h MET 91 Cb 1.13 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.72 2k20 h MET 91 CO 0.08 0.00 -0.29 0.45 -0.00 0.00 0.00 176.91 177.15 2k20 n SER 92 N -2.41 1.94 0.00 -0.10 2.88 -0.06 -3.67 113.62 112.20 2k20 n SER 92 Ca 0.02 -3.47 0.00 0.00 -1.33 0.00 0.00 58.87 54.09 2k20 n SER 92 Cb 0.49 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 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 -1.20 0.00 -0.01 2.46 5.66 -0.24 -4.91 114.28 116.03 2k20 n THR 93 Ca 0.17 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.15 2k20 n THR 93 Cb 0.68 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.44 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 -0.70 1.64 0.08 1.09 1.02 -1.07 -4.35 120.64 118.35 2k20 n GLU 94 Ca 0.00 0.01 -0.08 0.00 -0.02 0.00 0.00 57.16 57.07 2k20 n GLU 94 Cb 0.00 -1.06 -0.06 0.00 -0.02 0.00 0.00 31.44 30.29 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 0.35 0.09 1.85 0.62 0.00 0.97 -3.22 103.07 103.72 2k20 h GLY 95 Ca -0.07 -0.19 -0.18 0.00 0.00 0.00 0.00 47.33 46.89 2k20 h GLY 95 CO -0.00 0.17 -0.81 -0.57 0.00 0.00 0.00 176.54 175.33 2k20 h ASN 96 N 0.03 0.18 -0.98 0.19 -0.00 -1.76 0.41 115.58 113.65 2k20 h ASN 96 Ca -0.03 -0.13 0.26 0.00 -0.00 0.00 0.00 56.30 56.39 2k20 h ASN 96 Cb 1.66 -0.05 -0.18 0.00 -0.00 0.00 0.00 38.32 39.74 2k20 h ASN 96 CO 0.13 0.91 -0.03 0.29 -0.00 0.00 0.00 177.43 178.73 2k20 n LYS 97 N -3.68 -0.08 0.03 6.67 4.76 -1.22 0.10 118.16 124.75 2k20 n LYS 97 Ca -0.02 1.47 0.00 0.00 -2.87 0.00 0.00 58.31 56.89 2k20 n LYS 97 Cb 0.76 -2.32 -0.08 0.00 -1.84 0.00 0.00 35.03 31.55 2k20 n LYS 97 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2k20 n ARG 98 N -5.48 0.62 0.00 1.97 3.00 -1.24 -4.96 116.66 110.57 2k20 n ARG 98 Ca 0.22 0.19 0.00 0.00 -0.01 0.00 0.00 57.85 58.25 2k20 n ARG 98 Cb 0.71 -1.79 0.00 0.00 0.00 0.00 0.00 32.46 31.38 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 1.40 0.91 3.42 -0.13 0.00 0.29 -5.02 105.19 106.05 2k20 n GLY 99 Ca -0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.29 0.64 0.03 1.61 0.23 0.14 0.75 119.30 122.41 2k20 s MET 100 Ca 0.00 0.66 0.05 0.00 -1.03 0.00 0.00 55.69 55.37 2k20 s MET 100 Cb 0.00 0.31 -0.03 0.00 -1.53 0.00 0.00 34.83 33.58 2k20 s MET 100 CO 0.00 -0.09 -0.11 -1.50 -2.03 0.00 0.00 175.02 171.29 2k20 s ILE 101 N 0.12 3.34 0.14 3.16 2.07 0.52 -4.43 121.20 126.12 2k20 s ILE 101 Ca -0.01 -0.97 -0.24 0.00 -1.41 0.00 0.00 60.65 58.01 2k20 s ILE 101 Cb -0.04 -2.45 -0.08 0.00 0.13 0.00 0.00 42.46 40.02 2k20 s ILE 101 CO 0.01 0.34 0.74 -1.58 -1.91 0.00 0.00 174.94 172.54 2k20 s GLN 102 N -1.54 4.50 -0.02 3.50 -0.44 -1.26 -0.23 119.66 124.18 2k20 s GLN 102 Ca 0.17 1.08 0.04 0.00 -2.50 0.00 0.00 55.36 54.15 2k20 s GLN 102 Cb -0.11 -3.26 -0.00 0.00 -1.64 0.00 0.00 33.01 27.99 2k20 s GLN 102 CO 0.08 0.57 -0.12 -0.51 0.50 0.00 0.00 175.29 175.80 2k20 s LEU 103 N -1.07 1.92 -0.20 3.68 2.01 0.11 0.15 118.68 125.28 2k20 s LEU 103 Ca 0.35 -0.24 0.00 0.00 0.01 0.00 0.00 54.13 54.25 2k20 s LEU 103 Cb -0.22 -0.69 0.05 0.00 0.01 0.00 0.00 46.19 45.34 2k20 s LEU 103 CO 0.25 0.13 -0.07 -0.63 1.01 0.00 0.00 176.35 177.04 2k20 s ILE 104 N -0.07 1.41 0.43 -0.59 1.01 -0.62 0.09 121.20 122.86 2k20 s ILE 104 Ca 0.01 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 59.74 2k20 s ILE 104 Cb -0.07 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 2k20 s ILE 104 CO 0.00 0.05 0.04 0.68 0.00 0.00 0.00 174.94 175.72 2k20 s VAL 105 N 1.48 1.25 -0.11 2.92 -7.23 -0.62 0.14 120.40 118.23 2k20 s VAL 105 Ca -0.02 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.06 2k20 s VAL 105 Cb -0.17 -2.53 0.03 0.00 0.56 0.00 0.00 36.38 34.28 2k20 s VAL 105 CO -0.07 0.00 0.28 0.00 -0.31 0.00 0.00 175.10 175.00 2k20 s ALA 106 N -2.98 -0.69 0.31 1.32 0.00 0.12 0.33 121.76 120.17 2k20 s ALA 106 Ca 0.22 0.87 -0.00 0.00 0.00 0.00 0.00 51.96 53.05 2k20 s ALA 106 Cb 0.05 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.65 2k20 s ALA 106 CO 0.11 -0.15 0.41 2.89 0.00 0.00 0.00 175.76 179.02 2k20 n ARG 107 N 3.27 0.59 -2.95 0.00 -4.01 -0.76 -1.91 116.66 110.89 2k20 n ARG 107 Ca -0.16 -2.58 -0.32 0.00 -1.04 0.00 0.00 57.85 53.75 2k20 n ARG 107 Cb 0.57 2.42 -0.05 0.00 -3.04 0.00 0.00 32.46 32.36 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 -2.79 3.97 -0.17 2.89 3.52 -1.26 -1.75 118.95 123.37 2k20 s ARG 108 Ca 0.27 0.71 -0.03 0.00 -0.13 0.00 0.00 55.73 56.55 2k20 s ARG 108 Cb -0.00 -2.36 -0.23 0.00 -1.56 0.00 0.00 34.95 30.80 2k20 s ARG 108 CO 0.20 0.04 0.17 -0.89 -0.81 0.00 0.00 175.30 174.01 2k20 n ILE 109 N -0.75 1.68 -0.48 4.11 5.41 0.30 -4.90 119.36 124.73 2k20 n ILE 109 Ca 0.04 -0.63 0.00 0.00 1.00 0.00 0.00 62.75 63.16 2k20 n ILE 109 Cb 0.54 -1.62 0.00 0.00 -0.71 0.00 0.00 39.64 37.85 2k20 n ILE 109 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31