#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 1.63 -4.45 2.61 -2.24 -1.26 -5.06 114.28 105.50 2k20 n THR 8 Ca 0.00 -3.37 -0.34 0.00 -2.27 0.00 0.00 64.05 58.07 2k20 n THR 8 Cb 0.00 0.48 -0.11 0.00 -2.10 0.00 0.00 70.33 68.60 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 -3.68 3.25 -0.13 -0.78 0.52 -1.26 0.10 118.95 116.96 2k20 s ARG 9 Ca 0.34 -0.50 0.01 0.00 -0.52 0.00 0.00 55.73 55.07 2k20 s ARG 9 Cb 0.36 -2.80 0.02 0.00 0.52 0.00 0.00 34.95 33.05 2k20 s ARG 9 CO -0.02 0.48 -0.16 -1.83 0.02 0.00 0.00 175.30 173.79 2k20 s GLU 10 N -0.28 2.40 0.27 3.54 -1.05 -0.41 -4.94 118.70 118.23 2k20 s GLU 10 Ca 0.05 -0.61 -0.29 0.00 -0.15 0.00 0.00 54.97 53.96 2k20 s GLU 10 Cb -0.13 -2.09 -0.09 0.00 -0.44 0.00 0.00 34.13 31.38 2k20 s GLU 10 CO 0.02 -0.14 1.00 -0.06 0.95 0.00 0.00 175.26 177.04 2k20 s PHE 11 N 1.20 3.80 -0.11 4.83 0.08 -1.26 -1.85 117.98 124.67 2k20 s PHE 11 Ca -0.01 1.82 -0.07 0.00 0.12 0.00 0.00 56.93 58.79 2k20 s PHE 11 Cb -0.14 -3.09 0.04 0.00 -0.57 0.00 0.00 43.02 39.26 2k20 s PHE 11 CO -0.06 0.04 0.26 -0.48 -0.10 0.00 0.00 175.22 174.88 2k20 s LEU 12 N -1.38 0.64 0.21 -0.37 0.05 0.21 -4.97 118.68 113.07 2k20 s LEU 12 Ca 0.43 0.55 -0.07 0.00 0.05 0.00 0.00 54.13 55.09 2k20 s LEU 12 Cb -0.28 0.84 -0.06 0.00 -2.05 0.00 0.00 46.19 44.64 2k20 s LEU 12 CO 0.35 -0.13 0.49 -0.89 -0.55 0.00 0.00 176.35 175.62 2k20 s THR 13 N 0.77 5.02 0.21 5.48 2.01 -1.26 0.14 115.64 128.01 2k20 s THR 13 Ca -0.05 0.25 -0.01 0.00 0.31 0.00 0.00 61.69 62.20 2k20 s THR 13 Cb -0.06 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 2k20 s THR 13 CO -0.05 -0.08 0.14 -0.36 -0.69 0.00 0.00 174.62 173.58 2k20 s PHE 14 N -1.81 1.18 -0.24 4.92 0.08 0.34 -4.90 117.98 117.55 2k20 s PHE 14 Ca 0.45 -1.39 -0.03 0.00 0.12 0.00 0.00 56.93 56.08 2k20 s PHE 14 Cb -0.11 -0.56 0.10 0.00 -0.57 0.00 0.00 43.02 41.87 2k20 s PHE 14 CO 0.24 -0.65 0.19 -1.21 -0.10 0.00 0.00 175.22 173.69 2k20 s GLU 15 N -4.13 0.20 -0.33 0.44 8.01 -1.26 0.21 118.70 121.84 2k20 s GLU 15 Ca 0.39 -0.12 -0.06 0.00 0.01 0.00 0.00 54.97 55.19 2k20 s GLU 15 Cb 0.07 -1.17 0.03 0.00 -4.31 0.00 0.00 34.13 28.76 2k20 s GLU 15 CO 0.13 -0.84 0.10 0.08 0.01 0.00 0.00 175.26 174.73 2k20 s VAL 16 N 2.24 3.79 -0.06 2.63 1.01 0.87 -4.91 120.40 125.97 2k20 s VAL 16 Ca 0.07 -1.06 -0.27 0.00 0.00 0.00 0.00 61.98 60.72 2k20 s VAL 16 Cb -0.15 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 2k20 s VAL 16 CO -0.23 -0.13 0.89 -2.16 0.00 0.00 0.00 175.10 173.46 2k20 s PRO 17 N 1.42 4.46 -0.19 2.72 0.04 -1.26 -0.35 135.00 141.84 2k20 s PRO 17 Ca -0.01 1.20 0.13 0.00 0.04 0.00 0.00 61.00 62.36 2k20 s PRO 17 Cb -0.19 -3.49 0.41 0.00 0.04 0.00 0.00 34.50 31.27 2k20 s PRO 17 CO 0.03 -0.11 1.21 1.47 0.04 0.00 0.00 177.00 179.63 2k20 n LEU 18 N 4.29 2.53 -0.62 -3.56 -0.00 -0.67 -4.55 117.00 114.43 2k20 n LEU 18 Ca 0.04 -3.69 0.48 0.00 -0.00 0.00 0.00 56.01 52.84 2k20 n LEU 18 Cb 0.50 -0.48 0.78 0.00 -0.00 0.00 0.00 43.42 44.22 2k20 n LEU 18 CO 0.50 1.29 1.41 -0.55 -0.00 0.00 0.00 177.39 180.05 2k20 h ASN 19 N 0.95 0.06 0.00 1.45 -0.00 -1.92 1.13 115.58 117.25 2k20 h ASN 19 Ca -0.02 0.04 -0.16 0.00 -0.00 0.00 0.00 56.30 56.16 2k20 h ASN 19 Cb 1.08 0.04 -0.03 0.00 -0.00 0.00 0.00 38.32 39.41 2k20 h ASN 19 CO 0.01 -0.06 -1.62 0.47 -0.00 0.00 0.00 177.43 176.23 2k20 n ASP 20 N -4.17 2.94 0.00 6.14 8.00 -1.26 -4.48 116.55 123.71 2k20 n ASP 20 Ca 0.42 -0.02 0.08 0.00 0.71 0.00 0.00 54.79 55.97 2k20 n ASP 20 Cb 1.83 0.39 0.35 0.00 -0.02 0.00 0.00 41.12 43.67 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 -2.51 0.00 -0.32 -2.24 2.88 0.26 -3.50 113.62 108.19 2k20 n SER 21 Ca -0.16 0.35 0.35 0.00 -1.33 0.00 0.00 58.87 58.08 2k20 n SER 21 Cb 0.76 -0.43 0.69 0.00 -0.75 0.00 0.00 64.21 64.48 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 1.25 0.46 0.00 0.96 1.02 103.07 109.39 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 -1.52 1.76 0.00 0.00 0.00 176.54 176.78 2k20 h SER 23 N 0.00 0.21 -0.26 0.19 0.02 -1.84 -3.30 113.55 108.58 2k20 h SER 23 Ca 0.58 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2k20 h SER 23 Cb 2.61 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 65.08 2k20 h SER 23 CO -0.01 1.28 0.00 0.00 -1.14 0.00 0.00 176.83 176.96 2k20 n ALA 24 N -2.60 2.47 0.00 3.77 0.00 0.33 -4.93 120.51 119.54 2k20 n ALA 24 Ca -0.15 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.77 2k20 n ALA 24 Cb 1.03 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 1.02 1.83 0.00 0.00 0.00 0.31 -3.60 105.19 104.75 2k20 n GLY 25 Ca 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -4.70 117.00 119.99 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 -0.29 1.50 3.44 -3.96 0.00 -1.24 0.21 105.19 104.85 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 0.03 -0.19 1.61 -7.23 -1.26 0.12 120.40 111.48 2k20 s VAL 28 Ca 0.00 -0.52 0.01 0.00 -1.81 0.00 0.00 61.98 59.66 2k20 s VAL 28 Cb 0.00 -1.32 0.04 0.00 0.56 0.00 0.00 36.38 35.66 2k20 s VAL 28 CO 0.00 -0.14 -0.14 -0.44 -0.31 0.00 0.00 175.10 174.07 2k20 s SER 29 N -2.82 3.34 0.02 4.85 0.01 0.24 -4.84 113.70 114.50 2k20 s SER 29 Ca 0.05 -0.82 0.02 0.00 1.31 0.00 0.00 55.95 56.51 2k20 s SER 29 Cb -0.00 -1.33 -0.04 0.00 0.21 0.00 0.00 66.02 64.86 2k20 s SER 29 CO -0.08 -0.10 0.04 0.68 0.41 0.00 0.00 173.24 174.19 2k20 s VAL 30 N 1.35 4.37 -0.06 3.43 -7.23 -1.26 0.14 120.40 121.13 2k20 s VAL 30 Ca 0.00 -0.61 -0.03 0.00 -1.81 0.00 0.00 61.98 59.53 2k20 s VAL 30 Cb -0.15 -3.00 0.04 0.00 0.56 0.00 0.00 36.38 33.82 2k20 s VAL 30 CO -0.09 0.30 0.14 -1.59 -0.31 0.00 0.00 175.10 173.54 2k20 s LYS 31 N -1.83 0.09 0.03 4.82 0.00 -0.91 -4.85 119.74 117.09 2k20 s LYS 31 Ca 0.23 0.34 -0.06 0.00 0.00 0.00 0.00 55.97 56.48 2k20 s LYS 31 Cb -0.12 -0.16 -0.05 0.00 0.00 0.00 0.00 37.83 37.51 2k20 s LYS 31 CO 0.14 -0.15 0.28 0.20 0.00 0.00 0.00 175.35 175.82 2k20 s GLY 32 N 1.05 2.25 0.52 0.59 0.00 -1.26 -0.90 107.32 109.58 2k20 s GLY 32 Ca -0.08 -0.59 0.06 0.00 0.00 0.00 0.00 44.72 44.11 2k20 s GLY 32 CO -0.05 -0.43 0.46 0.70 0.00 0.00 0.00 173.10 173.79 2k20 n ASN 33 N 0.92 2.53 -4.15 1.64 5.03 -0.85 -4.96 115.26 115.41 2k20 n ASN 33 Ca -0.10 -2.72 -0.13 0.00 0.87 0.00 0.00 54.58 52.51 2k20 n ASN 33 Cb 0.52 -0.11 -0.11 0.00 -1.02 0.00 0.00 39.78 39.07 2k20 n ASN 33 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2k20 s ARG 34 N -4.20 0.79 0.61 3.52 0.52 -1.26 -0.07 118.95 118.85 2k20 s ARG 34 Ca 0.35 -1.15 -0.18 0.00 -0.52 0.00 0.00 55.73 54.23 2k20 s ARG 34 Cb -0.03 -0.37 -0.08 0.00 0.52 0.00 0.00 34.95 34.99 2k20 s ARG 34 CO 0.22 0.04 0.47 0.45 0.02 0.00 0.00 175.30 176.50 2k20 n SER 35 N 0.49 -1.29 -0.20 0.23 2.88 0.12 -4.76 113.62 111.08 2k20 n SER 35 Ca -0.16 0.69 -0.10 0.00 -1.33 0.00 0.00 58.87 57.98 2k20 n SER 35 Cb 0.58 -1.16 0.02 0.00 -0.75 0.00 0.00 64.21 62.90 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 0.08 1.04 0.00 -1.46 6.56 -2.00 -3.35 116.57 117.43 2k20 h LYS 36 Ca -0.45 -0.35 -0.22 0.00 -1.06 0.00 0.00 60.65 58.57 2k20 h LYS 36 Cb 1.39 -0.09 -0.04 0.00 -0.57 0.00 0.00 32.23 32.92 2k20 h LYS 36 CO 0.45 1.04 -1.85 -0.85 -2.06 0.00 0.00 179.45 176.19 2k20 n GLU 37 N -4.19 1.14 -2.61 3.15 0.28 -1.26 -5.03 120.64 112.13 2k20 n GLU 37 Ca 0.02 0.05 -0.22 0.00 -0.16 0.00 0.00 57.16 56.84 2k20 n GLU 37 Cb 0.36 -1.31 0.04 0.00 1.43 0.00 0.00 31.44 31.96 2k20 n GLU 37 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 2k20 s ASN 38 N -5.02 5.29 -0.43 -1.84 0.01 -1.26 -5.01 114.94 106.69 2k20 s ASN 38 Ca -0.14 0.14 0.05 0.00 -0.71 0.00 0.00 52.86 52.20 2k20 s ASN 38 Cb 0.04 -1.04 0.61 0.00 0.41 0.00 0.00 41.25 41.27 2k20 s ASN 38 CO 0.41 -1.15 1.82 1.41 -1.51 0.00 0.00 177.10 178.08 2k20 n HIS 39 N -2.41 2.64 -3.60 2.20 8.25 -1.26 -3.34 115.22 117.70 2k20 n HIS 39 Ca 0.07 -1.91 -0.36 0.00 -0.26 0.00 0.00 57.72 55.26 2k20 n HIS 39 Cb 0.59 -0.88 -0.08 0.00 1.12 0.00 0.00 29.99 30.75 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 -3.34 3.62 0.42 -1.41 0.00 -1.26 -4.83 121.76 114.96 2k20 s ALA 40 Ca 0.55 -0.57 -0.26 0.00 0.00 0.00 0.00 51.96 51.68 2k20 s ALA 40 Cb 0.47 -2.32 -0.10 0.00 0.00 0.00 0.00 23.12 21.16 2k20 s ALA 40 CO 0.07 0.08 1.30 -0.40 0.00 0.00 0.00 175.76 176.81 2k20 n ASP 41 N 3.65 2.70 -1.21 0.00 5.68 -1.26 0.11 116.55 126.21 2k20 n ASP 41 Ca -0.13 1.12 0.09 0.00 -0.50 0.00 0.00 54.79 55.37 2k20 n ASP 41 Cb 0.52 -1.51 0.29 0.00 -1.14 0.00 0.00 41.12 39.27 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 0.22 3.98 0.00 -2.12 4.77 0.90 -4.77 117.00 119.98 2k20 n LEU 42 Ca 0.06 -2.25 0.00 0.00 -0.03 0.00 0.00 56.01 53.79 2k20 n LEU 42 Cb 0.39 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 2k20 n LEU 42 CO 0.59 0.83 0.00 0.61 -1.33 0.00 0.00 177.39 178.10 2k20 n GLY 43 N 0.98 1.03 3.76 -0.72 0.00 -1.26 -4.82 105.19 104.16 2k20 n GLY 43 Ca 0.21 -1.97 -0.36 0.00 0.00 0.00 0.00 46.02 43.91 2k20 n GLY 43 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k20 s ILE 44 N -1.93 5.12 0.00 -0.61 -0.00 -1.26 -2.00 121.20 120.51 2k20 s ILE 44 Ca 0.00 0.07 0.08 0.00 -0.00 0.00 0.00 60.65 60.80 2k20 s ILE 44 Cb 0.00 -3.26 -0.02 0.00 -0.00 0.00 0.00 42.46 39.18 2k20 s ILE 44 CO 0.00 0.55 -0.25 -0.36 -0.00 0.00 0.00 174.94 174.88 2k20 s PHE 45 N -0.42 2.21 -0.44 1.37 0.40 -0.07 -0.45 117.98 120.57 2k20 s PHE 45 Ca 0.11 -0.41 -0.29 0.00 -0.60 0.00 0.00 56.93 55.73 2k20 s PHE 45 Cb -0.12 -1.39 -0.09 0.00 0.51 0.00 0.00 43.02 41.93 2k20 s PHE 45 CO 0.02 0.01 2.35 0.28 0.70 0.00 0.00 175.22 178.58 2k20 n VAL 46 N 2.27 0.09 0.01 -0.44 0.31 -0.19 -2.15 118.33 118.23 2k20 n VAL 46 Ca -0.16 -0.53 -0.19 0.00 -0.01 0.00 0.00 64.34 63.45 2k20 n VAL 46 Cb 0.52 -2.31 -0.09 0.00 -0.91 0.00 0.00 33.84 31.05 2k20 n VAL 46 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2k20 h LYS 47 N 16.33 0.68 -1.47 5.55 1.63 0.91 0.92 116.57 141.10 2k20 h LYS 47 Ca -0.27 -0.65 0.12 0.00 -0.85 0.00 0.00 60.65 58.99 2k20 h LYS 47 Cb 1.28 0.17 -0.24 0.00 -0.60 0.00 0.00 32.23 32.83 2k20 h LYS 47 CO 1.10 1.25 0.20 -1.54 -3.45 0.00 0.00 179.45 177.01 2k20 s SER 48 N -7.10 -0.69 -0.41 4.20 1.04 -0.87 -4.80 113.70 105.07 2k20 s SER 48 Ca -0.11 1.02 -0.21 0.00 0.48 0.00 0.00 55.95 57.13 2k20 s SER 48 Cb 0.07 1.57 0.02 0.00 0.10 0.00 0.00 66.02 67.78 2k20 s SER 48 CO 0.89 -0.15 0.65 -0.63 0.98 0.00 0.00 173.24 174.98 2k20 s ILE 49 N 2.04 4.84 -0.47 -1.02 1.01 -1.26 0.83 121.20 127.17 2k20 s ILE 49 Ca -0.06 0.32 -0.32 0.00 0.00 0.00 0.00 60.65 60.58 2k20 s ILE 49 Cb -0.06 -4.16 -0.12 0.00 0.01 0.00 0.00 42.46 38.13 2k20 s ILE 49 CO -0.17 -0.49 2.32 -0.38 0.00 0.00 0.00 174.94 176.21 2k20 n ILE 50 N 5.77 0.11 -1.34 2.92 -0.00 0.33 -4.77 119.36 122.38 2k20 n ILE 50 Ca -0.01 -0.35 -0.31 0.00 -0.00 0.00 0.00 62.75 62.08 2k20 n ILE 50 Cb 0.48 -1.78 -0.09 0.00 -0.00 0.00 0.00 39.64 38.25 2k20 n ILE 50 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.55 176.09 2k20 n ASN 51 N 11.36 1.89 0.00 4.38 6.94 -1.26 -1.55 115.26 137.02 2k20 n ASN 51 Ca 0.43 -2.58 0.00 0.00 -0.02 0.00 0.00 54.58 52.41 2k20 n ASN 51 Cb 0.28 -1.30 0.00 0.00 -2.36 0.00 0.00 39.78 36.40 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 5.45 0.44 0.15 4.83 0.00 -1.26 -5.07 105.19 109.73 2k20 n GLY 52 Ca 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.46 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 -2.88 0.26 -0.02 0.00 -0.59 -4.68 105.19 97.28 2k20 n GLY 53 Ca 0.00 -1.38 -0.09 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.05 0.78 -0.29 4.61 0.00 0.21 -1.84 119.26 120.69 2k20 h ALA 54 Ca -0.02 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 2k20 h ALA 54 Cb 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2k20 h ALA 54 CO 0.01 0.65 -0.03 0.00 0.00 0.00 0.00 179.25 179.88 2k20 h ALA 55 N 0.98 0.39 -0.30 0.00 0.00 0.65 -1.02 119.26 119.96 2k20 h ALA 55 Ca 0.08 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 2k20 h ALA 55 Cb 0.82 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2k20 h ALA 55 CO 0.07 0.17 -0.16 0.77 0.00 0.00 0.00 179.25 180.10 2k20 h SER 56 N 0.30 0.51 0.39 0.00 0.02 -1.71 -2.36 113.55 110.71 2k20 h SER 56 Ca 0.08 -0.15 -0.09 0.00 -0.84 0.00 0.00 61.79 60.79 2k20 h SER 56 Cb 0.49 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 2k20 h SER 56 CO 0.02 0.70 -0.42 0.11 -1.14 0.00 0.00 176.83 176.10 2k20 h LYS 57 N 0.48 0.03 0.00 3.45 1.57 -1.13 -2.57 116.57 118.40 2k20 h LYS 57 Ca 0.08 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 2k20 h LYS 57 Cb 0.56 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 2k20 h LYS 57 CO 0.04 0.45 -0.12 0.22 -0.57 0.00 0.00 179.45 179.46 2k20 h ASP 58 N 0.03 0.00 -2.12 0.86 3.58 -0.62 -3.46 116.42 114.68 2k20 h ASP 58 Ca -0.00 0.00 -0.40 0.00 0.42 0.00 0.00 57.03 57.05 2k20 h ASP 58 Cb 0.75 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.73 2k20 h ASP 58 CO 0.06 0.12 -0.46 0.61 -2.88 0.00 0.00 179.24 176.69 2k20 n GLY 59 N -0.82 0.45 0.00 -0.78 0.00 -0.97 -4.80 105.19 98.27 2k20 n GLY 59 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.73 1.85 -2.11 1.61 1.74 -1.26 -5.05 116.66 110.71 2k20 n ARG 60 Ca -0.22 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.46 2k20 n ARG 60 Cb 0.67 -0.94 -0.01 0.00 -1.02 0.00 0.00 32.46 31.15 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 -4.19 4.29 -0.02 0.55 1.02 -1.26 -5.04 118.68 114.03 2k20 s LEU 61 Ca 0.00 2.63 0.00 0.00 0.02 0.00 0.00 54.13 56.78 2k20 s LEU 61 Cb 0.00 -3.83 0.02 0.00 0.02 0.00 0.00 46.19 42.40 2k20 s LEU 61 CO 0.00 -0.71 -0.00 -0.13 0.02 0.00 0.00 176.35 175.52 2k20 s ARG 62 N -2.08 0.18 0.52 1.70 3.00 -1.26 -4.97 118.95 116.04 2k20 s ARG 62 Ca 0.54 0.03 -0.23 0.00 0.00 0.00 0.00 55.73 56.07 2k20 s ARG 62 Cb -0.38 -0.30 -0.06 0.00 0.00 0.00 0.00 34.95 34.21 2k20 s ARG 62 CO 0.49 -0.06 1.36 0.28 0.00 0.00 0.00 175.30 177.37 2k20 n VAL 63 N 3.67 3.54 -0.16 3.52 0.31 -1.26 -2.33 118.33 125.62 2k20 n VAL 63 Ca -0.21 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.62 2k20 n VAL 63 Cb 0.54 -1.69 0.00 0.00 -0.91 0.00 0.00 33.84 31.78 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 -0.75 0.00 -4.69 4.52 3.02 0.32 -4.90 115.26 112.77 2k20 n ASN 64 Ca 0.09 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.22 2k20 n ASN 64 Cb 0.44 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.58 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 -3.16 7.09 0.22 6.41 1.11 -0.98 -4.58 116.67 122.78 2k20 s ASP 65 Ca 0.00 1.79 -0.28 0.00 0.18 0.00 0.00 52.55 54.24 2k20 s ASP 65 Cb 0.00 -2.56 -0.09 0.00 1.07 0.00 0.00 42.92 41.34 2k20 s ASP 65 CO 0.00 -0.55 0.88 -1.58 1.18 0.00 0.00 175.17 175.10 2k20 s GLN 66 N 2.09 4.72 0.10 8.23 -0.44 -0.87 -1.03 119.66 132.47 2k20 s GLN 66 Ca 0.55 1.35 -0.22 0.00 -2.50 0.00 0.00 55.36 54.54 2k20 s GLN 66 Cb -0.24 -3.22 -0.07 0.00 -1.64 0.00 0.00 33.01 27.84 2k20 s GLN 66 CO 0.22 0.51 0.65 -0.51 0.50 0.00 0.00 175.29 176.67 2k20 s LEU 67 N -1.26 4.55 0.00 3.68 1.43 0.40 0.39 118.68 127.86 2k20 s LEU 67 Ca 0.40 1.41 0.00 0.00 -1.03 0.00 0.00 54.13 54.91 2k20 s LEU 67 Cb -0.24 -3.06 0.00 0.00 0.03 0.00 0.00 46.19 42.92 2k20 s LEU 67 CO 0.29 0.23 0.00 -0.38 0.23 0.00 0.00 176.35 176.73 2k20 n ILE 68 N 1.76 0.00 -3.64 -0.59 2.08 0.31 -4.59 119.36 114.69 2k20 n ILE 68 Ca -0.08 0.00 -0.09 0.00 0.56 0.00 0.00 62.75 63.13 2k20 n ILE 68 Cb 0.50 -0.89 -0.07 0.00 -0.75 0.00 0.00 39.64 38.43 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 -1.97 -1.89 -0.10 -1.39 0.00 -0.83 -2.19 121.76 113.39 2k20 s ALA 69 Ca 0.00 2.20 0.03 0.00 0.00 0.00 0.00 51.96 54.20 2k20 s ALA 69 Cb 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.76 2k20 s ALA 69 CO 0.00 -0.35 -0.22 0.54 0.00 0.00 0.00 175.76 175.74 2k20 s VAL 70 N 1.00 1.89 -0.66 0.00 0.11 0.14 -0.03 120.40 122.85 2k20 s VAL 70 Ca -0.05 -0.92 0.00 0.00 -2.93 0.00 0.00 61.98 58.08 2k20 s VAL 70 Cb -0.05 -1.65 0.00 0.00 -1.53 0.00 0.00 36.38 33.15 2k20 s VAL 70 CO -0.10 0.52 0.00 0.59 -3.33 0.00 0.00 175.10 172.78 2k20 n ASN 71 N 3.64 -5.12 0.00 3.54 3.02 -0.43 -1.72 115.26 118.19 2k20 n ASN 71 Ca -0.20 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 2k20 n ASN 71 Cb 0.53 -3.17 0.00 0.00 -0.61 0.00 0.00 39.78 36.53 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 -0.40 1.69 3.67 7.41 0.00 -1.26 -4.90 105.19 111.39 2k20 n GLY 72 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 2k20 n GLY 72 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k20 s GLU 73 N -0.81 4.10 0.80 1.61 -1.05 -0.70 -5.04 118.70 117.61 2k20 s GLU 73 Ca 0.00 -0.20 -0.12 0.00 -0.15 0.00 0.00 54.97 54.50 2k20 s GLU 73 Cb 0.00 -3.53 0.07 0.00 -0.44 0.00 0.00 34.13 30.24 2k20 s GLU 73 CO 0.00 0.08 1.10 -1.54 0.95 0.00 0.00 175.26 175.85 2k20 s SER 74 N 0.98 4.44 0.00 0.83 1.04 -1.26 -0.68 113.70 119.04 2k20 s SER 74 Ca 0.09 1.28 0.00 0.00 0.48 0.00 0.00 55.95 57.80 2k20 s SER 74 Cb -0.13 -2.01 0.00 0.00 0.10 0.00 0.00 66.02 63.98 2k20 s SER 74 CO 0.04 -2.00 0.50 0.18 0.98 0.00 0.00 173.24 172.94 2k20 n LEU 75 N -3.45 0.80 -0.32 2.42 4.32 -0.93 -4.79 117.00 115.05 2k20 n LEU 75 Ca 0.07 -0.80 0.02 0.00 -0.02 0.00 0.00 56.01 55.28 2k20 n LEU 75 Cb 0.56 0.00 0.15 0.00 -1.62 0.00 0.00 43.42 42.52 2k20 n LEU 75 CO 0.57 0.20 1.20 0.25 -1.22 0.00 0.00 177.39 178.39 2k20 h LEU 76 N 0.00 0.86 -1.54 2.23 7.12 -1.92 -0.91 115.31 121.15 2k20 h LEU 76 Ca 0.00 0.02 -0.04 0.00 0.13 0.00 0.00 57.88 57.99 2k20 h LEU 76 Cb 0.44 -0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 40.41 2k20 h LEU 76 CO 0.00 0.54 -0.21 1.23 -0.13 0.00 0.00 178.44 179.87 2k20 h GLY 77 N 0.99 0.00 -2.61 3.75 0.00 -1.96 -3.44 103.07 99.80 2k20 h GLY 77 Ca 0.39 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 47.27 2k20 h GLY 77 CO -0.18 0.00 -0.34 -1.59 0.00 0.00 0.00 176.54 174.42 2k20 s LYS 78 N -4.05 2.93 0.88 4.80 -2.85 -0.35 -5.11 119.74 115.99 2k20 s LYS 78 Ca -0.02 -1.16 -0.12 0.00 -1.00 0.00 0.00 55.97 53.67 2k20 s LYS 78 Cb 0.13 -2.71 0.12 0.00 -2.06 0.00 0.00 37.83 33.31 2k20 s LYS 78 CO 0.63 -0.03 1.12 0.00 0.10 0.00 0.00 175.35 177.17 2k20 s ALA 79 N -2.27 1.84 0.10 0.59 0.00 -1.26 -4.76 121.76 116.00 2k20 s ALA 79 Ca 0.47 -0.38 -0.23 0.00 0.00 0.00 0.00 51.96 51.82 2k20 s ALA 79 Cb -0.08 -3.07 -0.11 0.00 0.00 0.00 0.00 23.12 19.85 2k20 s ALA 79 CO 0.30 -2.16 1.72 -2.95 0.00 0.00 0.00 175.76 172.67 2k20 h ASN 80 N -1.41 -0.12 -0.98 0.00 7.08 -1.90 0.53 115.58 118.78 2k20 h ASN 80 Ca -0.50 0.02 0.03 0.00 -3.08 0.00 0.00 56.30 52.78 2k20 h ASN 80 Cb 1.31 0.06 -0.06 0.00 -2.08 0.00 0.00 38.32 37.55 2k20 h ASN 80 CO 0.60 -0.06 0.64 0.06 -2.08 0.00 0.00 177.43 176.60 2k20 h GLN 81 N -0.06 1.21 -0.16 4.14 -0.00 -1.95 0.28 115.11 118.57 2k20 h GLN 81 Ca 0.02 -0.07 -0.13 0.00 -0.00 0.00 0.00 58.65 58.47 2k20 h GLN 81 Cb 0.09 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.48 27.29 2k20 h GLN 81 CO -0.06 0.80 -0.47 0.93 -0.00 0.00 0.00 178.83 180.04 2k20 h GLU 82 N 1.25 0.42 -0.10 0.06 4.39 -1.80 -1.90 114.58 116.90 2k20 h GLU 82 Ca 0.39 -0.23 -0.03 0.00 0.34 0.00 0.00 59.36 59.82 2k20 h GLU 82 Cb -0.01 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2k20 h GLU 82 CO -0.12 0.80 -0.07 0.00 -1.16 0.00 0.00 179.01 178.47 2k20 h ALA 83 N 1.16 0.15 -0.13 3.43 0.00 0.14 -0.30 119.26 123.70 2k20 h ALA 83 Ca 0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2k20 h ALA 83 Cb 0.95 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2k20 h ALA 83 CO 0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 179.25 179.27 2k20 h MET 84 N -0.15 0.19 -0.07 0.00 -0.00 -0.47 -0.29 114.93 114.14 2k20 h MET 84 Ca 0.02 -0.02 -0.17 0.00 -0.00 0.00 0.00 59.70 59.53 2k20 h MET 84 Cb 0.56 -0.04 -0.01 0.00 -0.00 0.00 0.00 31.60 32.11 2k20 h MET 84 CO 0.02 0.22 -0.69 1.49 -0.00 0.00 0.00 176.91 177.96 2k20 h GLU 85 N 0.19 0.31 -0.28 -0.10 4.81 -1.18 -1.89 114.58 116.44 2k20 h GLU 85 Ca 0.05 -0.24 -0.06 0.00 -0.13 0.00 0.00 59.36 58.97 2k20 h GLU 85 Cb 0.15 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 2k20 h GLU 85 CO 0.00 0.88 -0.08 1.15 -0.73 0.00 0.00 179.01 180.24 2k20 h THR 86 N 0.22 1.21 0.00 0.32 2.02 0.64 -1.16 112.91 116.15 2k20 h THR 86 Ca -0.02 -0.87 -0.23 0.00 0.77 0.00 0.00 66.41 66.06 2k20 h THR 86 Cb 1.24 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 2k20 h THR 86 CO 0.11 0.29 -0.96 -0.07 0.37 0.00 0.00 175.52 175.26 2k20 h LEU 87 N 0.42 0.55 0.15 2.58 3.38 -1.09 0.00 115.31 121.32 2k20 h LEU 87 Ca 0.09 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 2k20 h LEU 87 Cb 0.40 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2k20 h LEU 87 CO 0.02 1.25 -0.11 -0.09 0.09 0.00 0.00 178.44 179.60 2k20 h ARG 88 N 0.24 -0.25 -0.11 1.13 2.43 -0.77 0.86 114.38 117.90 2k20 h ARG 88 Ca -0.08 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.00 2k20 h ARG 88 Cb 1.60 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.21 2k20 h ARG 88 CO 0.17 -0.17 -0.34 0.07 -1.51 0.00 0.00 179.97 178.18 2k20 h ARG 89 N -0.26 0.43 -0.03 0.20 -0.00 -1.29 -0.45 114.38 112.99 2k20 h ARG 89 Ca -0.01 -0.32 -0.05 0.00 -0.00 0.00 0.00 59.98 59.61 2k20 h ARG 89 Cb 0.23 0.05 -0.01 0.00 -0.00 0.00 0.00 29.97 30.24 2k20 h ARG 89 CO 0.00 0.94 -0.20 0.66 -0.00 0.00 0.00 179.97 181.37 2k20 h SER 90 N 0.01 0.04 0.97 0.08 4.64 -0.91 0.86 113.55 119.25 2k20 h SER 90 Ca -0.01 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.24 2k20 h SER 90 Cb 0.97 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 2k20 h SER 90 CO 0.07 0.24 -1.07 0.00 -0.87 0.00 0.00 176.83 175.21 2k20 h MET 91 N 0.04 0.00 -0.18 4.77 -0.00 0.78 1.20 114.93 121.55 2k20 h MET 91 Ca 0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.62 2k20 h MET 91 Cb 0.37 0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 31.92 2k20 h MET 91 CO 0.03 0.13 -0.25 0.45 -0.00 0.00 0.00 176.91 177.26 2k20 n SER 92 N -2.80 2.19 0.00 -0.10 2.88 -0.18 -3.67 113.62 111.94 2k20 n SER 92 Ca -0.03 -3.76 0.00 0.00 -1.33 0.00 0.00 58.87 53.74 2k20 n SER 92 Cb 0.66 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 2k20 n SER 92 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2k20 n THR 93 N -1.12 0.00 0.03 2.46 -1.04 0.26 -4.92 114.28 109.96 2k20 n THR 93 Ca 0.26 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.27 2k20 n THR 93 Cb 0.86 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.37 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 -0.12 0.00 0.23 -2.82 1.02 -1.04 -4.49 120.64 113.42 2k20 n GLU 94 Ca 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.23 2k20 n GLU 94 Cb 0.00 -0.45 0.56 0.00 -0.02 0.00 0.00 31.44 31.53 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 1.54 0.62 0.00 0.12 -2.63 103.07 102.72 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 -1.11 -0.57 0.00 0.00 0.00 176.54 174.86 2k20 h ASN 96 N 0.00 0.54 -0.92 0.19 -0.00 -1.74 0.66 115.58 114.32 2k20 h ASN 96 Ca -0.00 -0.50 0.26 0.00 -0.00 0.00 0.00 56.30 56.06 2k20 h ASN 96 Cb 0.50 -0.17 -0.14 0.00 -0.00 0.00 0.00 38.32 38.50 2k20 h ASN 96 CO 0.03 1.34 0.35 0.11 -0.00 0.00 0.00 177.43 179.25 2k20 h LYS 97 N 0.17 0.25 0.00 6.67 1.79 -1.69 0.42 116.57 124.18 2k20 h LYS 97 Ca -0.12 -0.02 -0.13 0.00 -2.18 0.00 0.00 60.65 58.21 2k20 h LYS 97 Cb 1.79 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 32.36 2k20 h LYS 97 CO 0.19 0.17 -1.24 0.07 -1.08 0.00 0.00 179.45 177.56 2k20 h ARG 98 N 0.26 0.00 0.00 3.15 -0.00 -1.64 -3.48 114.38 112.67 2k20 h ARG 98 Ca 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.59 2k20 h ARG 98 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.24 2k20 h ARG 98 CO -0.63 0.25 0.00 0.41 -0.00 0.00 0.00 179.97 179.99 2k20 n GLY 99 N 1.34 0.89 3.63 0.08 0.00 0.15 -5.07 105.19 106.20 2k20 n GLY 99 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.42 0.63 -0.10 1.61 0.23 0.23 -1.67 119.30 119.81 2k20 s MET 100 Ca 0.00 0.73 0.01 0.00 -1.03 0.00 0.00 55.69 55.40 2k20 s MET 100 Cb 0.00 0.31 -0.02 0.00 -1.53 0.00 0.00 34.83 33.59 2k20 s MET 100 CO 0.00 -0.08 -0.14 -1.50 -2.03 0.00 0.00 175.02 171.27 2k20 s ILE 101 N 0.25 3.01 0.47 3.16 2.07 0.52 -4.54 121.20 126.14 2k20 s ILE 101 Ca 0.02 -0.70 -0.20 0.00 -1.41 0.00 0.00 60.65 58.35 2k20 s ILE 101 Cb -0.05 -2.23 -0.09 0.00 0.13 0.00 0.00 42.46 40.22 2k20 s ILE 101 CO -0.03 0.55 1.01 0.00 -1.91 0.00 0.00 174.94 174.55 2k20 s GLN 102 N -0.03 3.94 -0.14 3.50 1.03 -1.26 -0.09 119.66 126.60 2k20 s GLN 102 Ca -0.03 1.27 -0.04 0.00 0.04 0.00 0.00 55.36 56.60 2k20 s GLN 102 Cb -0.14 -2.12 0.05 0.00 0.03 0.00 0.00 33.01 30.83 2k20 s GLN 102 CO 0.04 -0.30 0.07 -0.51 -2.54 0.00 0.00 175.29 172.05 2k20 s LEU 103 N -3.42 0.45 -0.38 2.60 1.43 0.13 -1.32 118.68 118.19 2k20 s LEU 103 Ca 0.65 -0.46 -0.15 0.00 -1.03 0.00 0.00 54.13 53.14 2k20 s LEU 103 Cb -0.14 -0.29 0.00 0.00 0.03 0.00 0.00 46.19 45.79 2k20 s LEU 103 CO 0.18 -0.31 0.32 -0.63 0.23 0.00 0.00 176.35 176.14 2k20 s ILE 104 N 2.09 5.22 0.21 -0.59 1.01 0.95 0.13 121.20 130.22 2k20 s ILE 104 Ca 0.02 -0.32 0.06 0.00 0.00 0.00 0.00 60.65 60.42 2k20 s ILE 104 Cb -0.15 -3.86 -0.05 0.00 0.01 0.00 0.00 42.46 38.41 2k20 s ILE 104 CO -0.07 -0.19 -0.09 0.68 0.00 0.00 0.00 174.94 175.27 2k20 s VAL 105 N 1.84 1.48 -0.15 2.92 -7.23 0.12 0.11 120.40 119.49 2k20 s VAL 105 Ca 0.08 -2.13 0.01 0.00 -1.81 0.00 0.00 61.98 58.12 2k20 s VAL 105 Cb -0.18 -2.14 0.02 0.00 0.56 0.00 0.00 36.38 34.65 2k20 s VAL 105 CO 0.11 -0.52 -0.16 0.00 -0.31 0.00 0.00 175.10 174.22 2k20 s ALA 106 N -3.13 1.95 0.04 1.32 0.00 0.16 0.65 121.76 122.74 2k20 s ALA 106 Ca 0.24 -0.96 0.04 0.00 0.00 0.00 0.00 51.96 51.28 2k20 s ALA 106 Cb 0.02 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 2k20 s ALA 106 CO 0.07 -0.35 -0.05 0.50 0.00 0.00 0.00 175.76 175.92 2k20 s ARG 107 N 1.41 2.50 -0.05 0.00 3.00 -0.77 -2.05 118.95 122.99 2k20 s ARG 107 Ca 0.04 -0.79 -0.30 0.00 -1.00 0.00 0.00 55.73 53.69 2k20 s ARG 107 Cb -0.13 -2.49 -0.03 0.00 0.00 0.00 0.00 34.95 32.30 2k20 s ARG 107 CO -0.11 0.58 1.15 0.50 0.00 0.00 0.00 175.30 177.42 2k20 s ARG 108 N -1.74 4.39 0.05 5.12 3.00 -1.26 -1.29 118.95 127.23 2k20 s ARG 108 Ca 0.20 1.61 -0.25 0.00 -1.00 0.00 0.00 55.73 56.28 2k20 s ARG 108 Cb -0.11 -3.53 -0.17 0.00 0.00 0.00 0.00 34.95 31.14 2k20 s ARG 108 CO 0.11 -0.38 1.56 0.82 0.00 0.00 0.00 175.30 177.41 2k20 h ILE 109 N 4.97 0.92 0.00 4.11 2.04 0.33 -3.49 117.51 126.40 2k20 h ILE 109 Ca -0.35 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.21 2k20 h ILE 109 Cb 1.17 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 38.36 2k20 h ILE 109 CO 0.86 0.07 0.00 -0.24 0.00 0.00 0.00 178.15 178.84