#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 -0.03 -3.66 2.61 -2.24 -1.26 -5.05 114.28 104.65 2k20 n THR 8 Ca 0.00 -1.75 -0.33 0.00 -2.27 0.00 0.00 64.05 59.70 2k20 n THR 8 Cb 0.00 1.31 -0.05 0.00 -2.10 0.00 0.00 70.33 69.49 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 0.18 3.65 -0.07 -0.78 3.52 -1.26 0.14 118.95 124.33 2k20 s ARG 9 Ca 0.26 -0.01 -0.17 0.00 -0.13 0.00 0.00 55.73 55.68 2k20 s ARG 9 Cb 0.28 -2.94 0.04 0.00 -1.56 0.00 0.00 34.95 30.76 2k20 s ARG 9 CO -0.11 0.53 0.40 -1.83 -0.81 0.00 0.00 175.30 173.48 2k20 s GLU 10 N -2.25 0.65 0.16 5.12 -1.05 -0.53 -4.94 118.70 115.87 2k20 s GLU 10 Ca 0.36 0.16 -0.12 0.00 -0.15 0.00 0.00 54.97 55.22 2k20 s GLU 10 Cb -0.13 0.30 -0.07 0.00 -0.44 0.00 0.00 34.13 33.79 2k20 s GLU 10 CO 0.21 -0.15 0.53 -0.06 0.95 0.00 0.00 175.26 176.73 2k20 s PHE 11 N -0.71 3.56 -0.18 4.83 0.40 -1.26 -1.93 117.98 122.68 2k20 s PHE 11 Ca -0.08 0.97 -0.04 0.00 -0.60 0.00 0.00 56.93 57.18 2k20 s PHE 11 Cb -0.04 -2.31 0.06 0.00 0.51 0.00 0.00 43.02 41.24 2k20 s PHE 11 CO 0.04 0.40 0.08 -0.51 0.70 0.00 0.00 175.22 175.92 2k20 s LEU 12 N -2.17 0.56 -0.23 -0.37 1.43 0.14 -4.96 118.68 113.07 2k20 s LEU 12 Ca 0.40 -0.67 -0.21 0.00 -1.03 0.00 0.00 54.13 52.61 2k20 s LEU 12 Cb -0.14 -0.33 -0.02 0.00 0.03 0.00 0.00 46.19 45.73 2k20 s LEU 12 CO 0.20 -0.34 0.67 -0.89 0.23 0.00 0.00 176.35 176.21 2k20 s THR 13 N 2.07 4.97 0.07 5.49 2.01 -1.26 -1.21 115.64 127.78 2k20 s THR 13 Ca 0.01 1.24 0.05 0.00 0.31 0.00 0.00 61.69 63.30 2k20 s THR 13 Cb -0.16 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.34 2k20 s THR 13 CO -0.09 0.04 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.39 2k20 s PHE 14 N 2.32 1.17 -0.31 4.92 0.08 0.21 -4.97 117.98 121.41 2k20 s PHE 14 Ca 0.29 -0.48 -0.04 0.00 0.12 0.00 0.00 56.93 56.82 2k20 s PHE 14 Cb -0.16 -0.66 0.04 0.00 -0.57 0.00 0.00 43.02 41.67 2k20 s PHE 14 CO 0.09 0.05 0.03 -1.21 -0.10 0.00 0.00 175.22 174.08 2k20 s GLU 15 N -1.83 2.61 -0.34 0.44 8.01 -1.26 0.13 118.70 126.46 2k20 s GLU 15 Ca -0.02 -1.16 -0.13 0.00 0.01 0.00 0.00 54.97 53.68 2k20 s GLU 15 Cb -0.09 -3.26 -0.02 0.00 -4.31 0.00 0.00 34.13 26.45 2k20 s GLU 15 CO 0.02 -0.59 0.24 0.08 0.01 0.00 0.00 175.26 175.02 2k20 s VAL 16 N 1.34 5.26 -0.09 2.63 1.01 -0.22 -4.89 120.40 125.44 2k20 s VAL 16 Ca -0.03 -0.23 -0.24 0.00 0.00 0.00 0.00 61.98 61.49 2k20 s VAL 16 Cb -0.19 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 2k20 s VAL 16 CO 0.00 -0.01 0.74 -2.16 0.00 0.00 0.00 175.10 173.67 2k20 s PRO 17 N 1.72 4.40 -0.12 2.72 0.04 -1.26 -0.07 135.00 142.43 2k20 s PRO 17 Ca 0.06 0.92 0.16 0.00 0.04 0.00 0.00 61.00 62.18 2k20 s PRO 17 Cb -0.17 -3.48 0.39 0.00 0.04 0.00 0.00 34.50 31.28 2k20 s PRO 17 CO 0.10 -0.04 1.19 1.47 0.04 0.00 0.00 177.00 179.76 2k20 n LEU 18 N 4.17 1.96 -0.55 -3.56 -0.00 0.11 -4.53 117.00 114.61 2k20 n LEU 18 Ca 0.00 -3.04 0.44 0.00 -0.00 0.00 0.00 56.01 53.41 2k20 n LEU 18 Cb 0.51 -0.31 0.71 0.00 -0.00 0.00 0.00 43.42 44.32 2k20 n LEU 18 CO 0.47 0.99 1.27 -0.46 -0.00 0.00 0.00 177.39 179.66 2k20 n ASN 19 N -0.52 0.11 -0.07 1.45 2.04 -1.15 0.13 115.26 117.25 2k20 n ASN 19 Ca 0.13 1.15 -0.08 0.00 -0.44 0.00 0.00 54.58 55.34 2k20 n ASN 19 Cb 0.85 -0.57 -0.09 0.00 -2.53 0.00 0.00 39.78 37.44 2k20 n ASN 19 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 2k20 n ASP 20 N -4.26 2.25 0.00 0.53 8.00 -1.26 -4.41 116.55 117.41 2k20 n ASP 20 Ca 0.40 -0.03 0.08 0.00 0.71 0.00 0.00 54.79 55.95 2k20 n ASP 20 Cb 1.68 0.40 0.39 0.00 -0.02 0.00 0.00 41.12 43.57 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 -2.66 0.00 -0.60 -2.24 2.88 0.10 -3.65 113.62 107.45 2k20 n SER 21 Ca -0.23 0.13 0.48 0.00 -1.33 0.00 0.00 58.87 57.92 2k20 n SER 21 Cb 0.86 -0.32 0.80 0.00 -0.75 0.00 0.00 64.21 64.80 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 0.11 1.08 0.46 0.00 0.93 1.13 103.07 109.40 2k20 h GLY 22 Ca 0.00 -0.01 -0.34 0.00 0.00 0.00 0.00 47.33 46.98 2k20 h GLY 22 CO 0.00 -0.03 -1.64 1.48 0.00 0.00 0.00 176.54 176.35 2k20 h SER 23 N 0.01 0.61 -0.02 0.19 4.64 -1.85 -3.29 113.55 113.84 2k20 h SER 23 Ca 0.85 -0.83 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2k20 h SER 23 Cb 3.35 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 65.24 2k20 h SER 23 CO -0.04 1.68 0.00 0.00 -0.87 0.00 0.00 176.83 177.60 2k20 n ALA 24 N -2.78 2.63 0.00 5.18 0.00 0.34 -4.92 120.51 120.96 2k20 n ALA 24 Ca -0.21 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2k20 n ALA 24 Cb 1.07 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 19.17 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 0.98 1.83 0.00 0.00 0.00 0.17 -3.51 105.19 104.65 2k20 n GLY 25 Ca 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -4.67 117.00 120.02 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 -0.48 0.79 3.42 -3.96 0.00 -1.23 0.17 105.19 103.90 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 -0.91 0.02 -0.26 1.61 -7.23 -1.26 0.10 120.40 112.46 2k20 s VAL 28 Ca 0.00 -0.14 -0.02 0.00 -1.81 0.00 0.00 61.98 60.01 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 -0.08 -0.03 -0.94 -0.31 0.00 0.00 175.10 173.74 2k20 s SER 29 N -2.25 4.54 0.03 4.85 1.04 0.19 -4.87 113.70 117.24 2k20 s SER 29 Ca -0.03 -0.92 0.02 0.00 0.48 0.00 0.00 55.95 55.50 2k20 s SER 29 Cb -0.00 -1.70 -0.04 0.00 0.10 0.00 0.00 66.02 64.37 2k20 s SER 29 CO -0.05 -0.16 0.03 0.68 0.98 0.00 0.00 173.24 174.71 2k20 s VAL 30 N 1.34 4.31 -0.12 5.02 -7.23 -1.26 0.17 120.40 122.61 2k20 s VAL 30 Ca -0.01 -0.68 -0.07 0.00 -1.81 0.00 0.00 61.98 59.42 2k20 s VAL 30 Cb -0.17 -2.99 0.05 0.00 0.56 0.00 0.00 36.38 33.83 2k20 s VAL 30 CO -0.03 0.27 0.30 -1.59 -0.31 0.00 0.00 175.10 173.74 2k20 s LYS 31 N -1.91 0.27 0.55 4.82 0.00 -0.93 -4.85 119.74 117.68 2k20 s LYS 31 Ca 0.23 0.60 0.09 0.00 0.00 0.00 0.00 55.97 56.89 2k20 s LYS 31 Cb -0.12 -0.07 0.07 0.00 0.00 0.00 0.00 37.83 37.72 2k20 s LYS 31 CO 0.15 -0.15 0.75 0.20 0.00 0.00 0.00 175.35 176.30 2k20 s GLY 32 N 1.20 1.77 0.23 0.59 0.00 -1.26 -1.77 107.32 108.09 2k20 s GLY 32 Ca -0.09 -2.05 0.01 0.00 0.00 0.00 0.00 44.72 42.59 2k20 s GLY 32 CO -0.09 -1.65 0.04 1.16 0.00 0.00 0.00 173.10 172.55 2k20 n ASN 33 N -2.17 1.92 -3.71 1.64 0.23 -0.79 -4.97 115.26 107.40 2k20 n ASN 33 Ca 0.14 -2.11 -0.14 0.00 -0.53 0.00 0.00 54.58 51.94 2k20 n ASN 33 Cb 0.61 0.34 -0.14 0.00 -2.08 0.00 0.00 39.78 38.51 2k20 n ASN 33 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 2k20 s ARG 34 N -2.85 0.10 0.12 -3.83 0.52 -1.26 -2.90 118.95 108.84 2k20 s ARG 34 Ca 0.05 0.49 -0.11 0.00 -0.52 0.00 0.00 55.73 55.64 2k20 s ARG 34 Cb 0.00 -0.18 -0.07 0.00 0.52 0.00 0.00 34.95 35.22 2k20 s ARG 34 CO 0.04 -0.22 0.15 0.43 0.02 0.00 0.00 175.30 175.72 2k20 n SER 35 N 4.65 -0.83 -0.09 0.23 7.64 0.22 -4.77 113.62 120.68 2k20 n SER 35 Ca -0.18 0.43 -0.07 0.00 1.01 0.00 0.00 58.87 60.07 2k20 n SER 35 Cb 0.51 -0.40 0.11 0.00 -1.01 0.00 0.00 64.21 63.42 2k20 n SER 35 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2k20 h LYS 36 N 0.31 0.76 0.11 1.43 6.56 -2.00 -3.33 116.57 120.41 2k20 h LYS 36 Ca -0.14 -0.28 -0.01 0.00 -1.06 0.00 0.00 60.65 59.17 2k20 h LYS 36 Cb 0.63 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.24 2k20 h LYS 36 CO 0.23 0.88 -0.05 1.49 -2.06 0.00 0.00 179.45 179.93 2k20 h GLU 37 N 0.68 -0.15 0.00 3.15 4.81 -1.98 -3.48 114.58 117.61 2k20 h GLU 37 Ca 0.10 0.01 -0.62 0.00 -0.13 0.00 0.00 59.36 58.73 2k20 h GLU 37 Cb 0.66 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.00 2k20 h GLU 37 CO 0.05 -0.10 -0.34 0.27 -0.73 0.00 0.00 179.01 178.16 2k20 n ASN 38 N -4.00 2.99 -2.74 1.04 0.23 -1.25 -5.02 115.26 106.51 2k20 n ASN 38 Ca -0.02 -3.04 -0.29 0.00 -0.53 0.00 0.00 54.58 50.70 2k20 n ASN 38 Cb 0.06 0.08 -0.06 0.00 -2.08 0.00 0.00 39.78 37.77 2k20 n ASN 38 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 2k20 n HIS 39 N -1.67 1.64 -3.52 -2.53 8.25 -1.26 -3.33 115.22 112.80 2k20 n HIS 39 Ca -0.08 -2.20 -0.42 0.00 -0.26 0.00 0.00 57.72 54.76 2k20 n HIS 39 Cb 0.65 -1.65 -0.09 0.00 1.12 0.00 0.00 29.99 30.02 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 -0.69 3.39 0.28 -1.41 0.00 -1.26 -4.81 121.76 117.25 2k20 s ALA 40 Ca 0.60 -2.14 -0.28 0.00 0.00 0.00 0.00 51.96 50.15 2k20 s ALA 40 Cb 0.30 -2.80 -0.14 0.00 0.00 0.00 0.00 23.12 20.47 2k20 s ALA 40 CO -0.13 -1.68 0.97 -0.40 0.00 0.00 0.00 175.76 174.52 2k20 n ASP 41 N 5.02 1.08 -0.01 0.00 5.75 -1.26 0.73 116.55 127.87 2k20 n ASP 41 Ca -0.11 1.17 0.09 0.00 -0.01 0.00 0.00 54.79 55.93 2k20 n ASP 41 Cb 0.43 -1.26 -0.12 0.00 -1.03 0.00 0.00 41.12 39.14 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 1.32 0.30 0.00 -2.12 4.77 -1.14 -4.75 117.00 115.38 2k20 n LEU 42 Ca 0.10 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2k20 n LEU 42 Cb 0.31 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 2k20 n LEU 42 CO 0.60 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 2k20 n GLY 43 N 1.46 0.99 3.39 -0.72 0.00 -1.26 -4.98 105.19 104.07 2k20 n GLY 43 Ca -0.01 -1.99 -0.32 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 -1.15 2.74 0.03 -0.61 -0.00 -1.26 -1.89 121.20 119.05 2k20 s ILE 44 Ca 0.00 -0.82 0.06 0.00 -0.00 0.00 0.00 60.65 59.89 2k20 s ILE 44 Cb 0.00 -2.07 -0.02 0.00 -0.00 0.00 0.00 42.46 40.37 2k20 s ILE 44 CO 0.00 0.57 -0.18 0.72 -0.00 0.00 0.00 174.94 176.05 2k20 s PHE 45 N -0.34 1.60 -0.18 1.37 -0.71 -0.73 0.46 117.98 119.46 2k20 s PHE 45 Ca 0.03 -0.35 -0.31 0.00 -1.04 0.00 0.00 56.93 55.25 2k20 s PHE 45 Cb -0.13 -0.97 -0.08 0.00 -1.21 0.00 0.00 43.02 40.63 2k20 s PHE 45 CO 0.02 0.05 2.11 0.28 -1.34 0.00 0.00 175.22 176.34 2k20 n VAL 46 N 2.03 0.43 0.09 -2.49 0.31 -0.82 -2.20 118.33 115.69 2k20 n VAL 46 Ca -0.17 -0.29 -0.21 0.00 -0.01 0.00 0.00 64.34 63.66 2k20 n VAL 46 Cb 0.54 -2.19 -0.15 0.00 -0.91 0.00 0.00 33.84 31.13 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 12.57 0.38 -1.17 5.55 1.63 0.13 0.94 116.57 136.60 2k20 h LYS 47 Ca -0.41 -0.65 0.16 0.00 -0.85 0.00 0.00 60.65 58.89 2k20 h LYS 47 Cb 1.26 0.24 -0.23 0.00 -0.60 0.00 0.00 32.23 32.90 2k20 h LYS 47 CO 0.97 1.28 0.17 -1.12 -3.45 0.00 0.00 179.45 177.30 2k20 s SER 48 N -7.27 -0.67 -0.23 4.20 0.01 -0.80 -4.83 113.70 104.11 2k20 s SER 48 Ca -0.11 0.92 -0.24 0.00 1.31 0.00 0.00 55.95 57.84 2k20 s SER 48 Cb 0.06 1.76 -0.01 0.00 0.21 0.00 0.00 66.02 68.04 2k20 s SER 48 CO 0.88 -0.13 0.79 -0.63 0.41 0.00 0.00 173.24 174.57 2k20 s ILE 49 N 2.52 4.87 -0.43 1.44 1.01 -1.26 0.55 121.20 129.89 2k20 s ILE 49 Ca -0.03 1.50 -0.28 0.00 0.00 0.00 0.00 60.65 61.84 2k20 s ILE 49 Cb -0.07 -4.09 -0.08 0.00 0.01 0.00 0.00 42.46 38.23 2k20 s ILE 49 CO -0.18 -0.04 2.36 -0.38 0.00 0.00 0.00 174.94 176.71 2k20 n ILE 50 N 5.16 0.07 -1.59 2.92 -0.00 0.28 -4.80 119.36 121.41 2k20 n ILE 50 Ca 0.04 -0.59 -0.14 0.00 -0.00 0.00 0.00 62.75 62.06 2k20 n ILE 50 Cb 0.48 -2.45 -0.10 0.00 -0.00 0.00 0.00 39.64 37.56 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 10.39 3.50 0.00 4.38 2.20 -1.26 -0.58 114.94 133.57 2k20 s ASN 51 Ca 1.03 -0.67 0.00 0.00 -0.94 0.00 0.00 52.86 52.28 2k20 s ASN 51 Cb -0.37 -2.58 0.00 0.00 -2.00 0.00 0.00 41.25 36.29 2k20 s ASN 51 CO 0.33 -4.57 0.00 0.61 -2.94 0.00 0.00 177.10 170.52 2k20 n GLY 52 N 6.35 0.95 2.14 0.45 0.00 -1.26 -5.08 105.19 108.73 2k20 n GLY 52 Ca 0.43 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.26 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 -3.00 0.35 -0.02 0.00 0.25 -4.69 105.19 98.08 2k20 n GLY 53 Ca 0.00 -1.42 -0.03 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.62 1.20 -0.10 4.61 0.00 0.15 -1.58 119.26 120.91 2k20 h ALA 54 Ca -0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2k20 h ALA 54 Cb 0.80 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2k20 h ALA 54 CO 0.16 0.63 0.02 0.00 0.00 0.00 0.00 179.25 180.07 2k20 h ALA 55 N 1.31 0.13 0.00 0.00 0.00 -0.46 0.13 119.26 120.36 2k20 h ALA 55 Ca 0.29 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2k20 h ALA 55 Cb 0.06 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2k20 h ALA 55 CO -0.04 -0.24 -0.16 0.77 0.00 0.00 0.00 179.25 179.58 2k20 h SER 56 N -0.05 0.00 0.96 0.00 0.02 -1.70 -1.67 113.55 111.10 2k20 h SER 56 Ca 0.03 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.82 2k20 h SER 56 Cb 0.25 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 2k20 h SER 56 CO 0.00 0.16 -0.79 0.11 -1.14 0.00 0.00 176.83 175.17 2k20 h LYS 57 N 0.00 0.00 -0.49 3.45 1.57 -0.92 -3.18 116.57 117.00 2k20 h LYS 57 Ca -0.00 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.89 2k20 h LYS 57 Cb 0.31 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 2k20 h LYS 57 CO 0.02 0.79 0.34 0.22 -0.57 0.00 0.00 179.45 180.25 2k20 h ASP 58 N 0.00 0.17 -0.11 0.86 3.58 0.02 -3.45 116.42 117.49 2k20 h ASP 58 Ca -0.01 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 2k20 h ASP 58 Cb 1.48 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 42.48 2k20 h ASP 58 CO 0.10 0.10 -0.04 0.61 -2.88 0.00 0.00 179.24 177.13 2k20 n GLY 59 N -1.57 0.53 0.00 -0.78 0.00 -1.20 -4.81 105.19 97.36 2k20 n GLY 59 Ca 0.08 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2k20 n GLY 59 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2k20 n ARG 60 N -2.13 0.40 -3.73 1.61 1.85 -1.26 -5.06 116.66 108.34 2k20 n ARG 60 Ca -0.02 -0.54 -0.36 0.00 -1.00 0.00 0.00 57.85 55.93 2k20 n ARG 60 Cb 0.18 -0.61 -0.07 0.00 -1.05 0.00 0.00 32.46 30.91 2k20 n ARG 60 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2k20 s LEU 61 N -0.16 4.28 0.00 2.89 1.43 -1.26 -5.01 118.68 120.86 2k20 s LEU 61 Ca 0.00 0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 2k20 s LEU 61 Cb 0.00 -2.16 -0.01 0.00 0.03 0.00 0.00 46.19 44.06 2k20 s LEU 61 CO 0.00 0.24 -0.02 -0.13 0.23 0.00 0.00 176.35 176.67 2k20 s ARG 62 N -0.11 0.17 0.57 1.70 3.00 -1.26 -4.91 118.95 118.12 2k20 s ARG 62 Ca 0.12 -0.18 -0.21 0.00 0.00 0.00 0.00 55.73 55.47 2k20 s ARG 62 Cb -0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 34.95 34.70 2k20 s ARG 62 CO 0.02 0.02 1.31 0.28 0.00 0.00 0.00 175.30 176.92 2k20 n VAL 63 N 2.72 4.08 -0.73 3.52 0.31 -1.26 -2.89 118.33 124.08 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 0.59 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 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 -1.17 -2.20 -4.56 4.52 3.02 0.33 -4.90 115.26 110.30 2k20 n ASN 64 Ca 0.12 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.24 2k20 n ASN 64 Cb 0.45 -0.37 -0.04 0.00 -0.61 0.00 0.00 39.78 39.22 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 -2.22 6.48 -0.37 6.41 1.01 -1.14 -4.66 116.67 122.18 2k20 s ASP 65 Ca 0.00 0.06 -0.29 0.00 0.71 0.00 0.00 52.55 53.03 2k20 s ASP 65 Cb 0.00 -2.45 0.00 0.00 1.01 0.00 0.00 42.92 41.48 2k20 s ASP 65 CO 0.00 -1.07 1.47 -1.58 0.21 0.00 0.00 175.17 174.20 2k20 s GLN 66 N 3.78 3.61 0.37 8.23 2.00 0.10 -1.94 119.66 135.81 2k20 s GLN 66 Ca 0.36 1.12 -0.27 0.00 -2.00 0.00 0.00 55.36 54.57 2k20 s GLN 66 Cb -0.10 -4.03 -0.09 0.00 0.80 0.00 0.00 33.01 29.58 2k20 s GLN 66 CO 0.26 -1.52 1.31 -0.51 -0.50 0.00 0.00 175.29 174.32 2k20 s LEU 67 N 5.48 4.31 0.00 3.68 1.43 0.17 0.11 118.68 133.86 2k20 s LEU 67 Ca 0.64 2.68 0.00 0.00 -1.03 0.00 0.00 54.13 56.42 2k20 s LEU 67 Cb -0.16 -3.79 0.00 0.00 0.03 0.00 0.00 46.19 42.27 2k20 s LEU 67 CO 0.31 -0.72 0.00 -0.38 0.23 0.00 0.00 176.35 175.80 2k20 n ILE 68 N 0.42 0.00 -3.69 -0.59 5.41 0.26 -4.44 119.36 116.73 2k20 n ILE 68 Ca 0.02 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.64 2k20 n ILE 68 Cb 0.43 -0.27 -0.13 0.00 -0.71 0.00 0.00 39.64 38.96 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 -1.52 -0.58 -0.14 -1.39 0.00 -0.91 0.52 121.76 117.73 2k20 s ALA 69 Ca 0.00 0.99 0.02 0.00 0.00 0.00 0.00 51.96 52.97 2k20 s ALA 69 Cb 0.00 -0.88 0.01 0.00 0.00 0.00 0.00 23.12 22.25 2k20 s ALA 69 CO 0.00 -0.47 -0.22 0.54 0.00 0.00 0.00 175.76 175.62 2k20 s VAL 70 N 1.96 2.02 -1.26 0.00 0.11 0.12 0.31 120.40 123.68 2k20 s VAL 70 Ca -0.03 -0.96 -0.06 0.00 -2.93 0.00 0.00 61.98 58.00 2k20 s VAL 70 Cb -0.11 -1.79 0.01 0.00 -1.53 0.00 0.00 36.38 32.95 2k20 s VAL 70 CO -0.09 0.54 1.09 0.59 -3.33 0.00 0.00 175.10 173.90 2k20 n ASN 71 N 4.09 -5.06 -1.31 3.54 3.02 0.11 -1.43 115.26 118.20 2k20 n ASN 71 Ca -0.20 -0.54 -0.16 0.00 -0.03 0.00 0.00 54.58 53.66 2k20 n ASN 71 Cb 0.51 -4.85 -0.06 0.00 -0.61 0.00 0.00 39.78 34.77 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 -1.72 1.32 2.96 7.41 0.00 -1.26 -4.97 105.19 108.92 2k20 n GLY 72 Ca -0.07 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.57 1.86 0.71 1.61 2.02 -0.52 -5.12 118.70 115.69 2k20 s GLU 73 Ca 0.00 -0.48 -0.16 0.00 0.02 0.00 0.00 54.97 54.35 2k20 s GLU 73 Cb 0.00 -1.95 0.03 0.00 0.10 0.00 0.00 34.13 32.31 2k20 s GLU 73 CO 0.00 -0.30 1.26 0.45 0.02 0.00 0.00 175.26 176.69 2k20 s SER 74 N 1.58 4.22 -0.02 -0.19 0.15 -1.26 0.16 113.70 118.34 2k20 s SER 74 Ca 0.04 2.51 0.01 0.00 0.70 0.00 0.00 55.95 59.21 2k20 s SER 74 Cb -0.13 -2.61 -0.02 0.00 -1.71 0.00 0.00 66.02 61.55 2k20 s SER 74 CO -0.09 -2.26 0.00 0.18 1.20 0.00 0.00 173.24 172.27 2k20 n LEU 75 N -2.46 0.57 -0.03 3.45 4.77 0.19 -4.66 117.00 118.83 2k20 n LEU 75 Ca 0.15 -0.00 0.22 0.00 -0.03 0.00 0.00 56.01 56.34 2k20 n LEU 75 Cb 0.49 0.02 0.70 0.00 -2.33 0.00 0.00 43.42 42.30 2k20 n LEU 75 CO 0.47 0.13 1.20 -0.07 -1.33 0.00 0.00 177.39 177.80 2k20 h LEU 76 N 0.00 0.00 -0.26 2.23 3.38 -1.83 0.28 115.31 119.10 2k20 h LEU 76 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2k20 h LEU 76 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2k20 h LEU 76 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2k20 n GLY 77 N -1.65 -1.05 3.32 0.83 0.00 -1.26 -4.73 105.19 100.66 2k20 n GLY 77 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.12 1.25 0.99 1.61 -2.85 0.97 -5.13 119.74 113.47 2k20 s LYS 78 Ca 0.05 -1.43 -0.14 0.00 -1.00 0.00 0.00 55.97 53.46 2k20 s LYS 78 Cb 0.09 -1.22 0.07 0.00 -2.06 0.00 0.00 37.83 34.70 2k20 s LYS 78 CO 0.29 0.24 0.38 0.00 0.10 0.00 0.00 175.35 176.36 2k20 n ALA 79 N 0.17 -2.85 0.20 0.59 0.00 -1.26 -4.45 120.51 112.91 2k20 n ALA 79 Ca -0.12 -0.78 -0.16 0.00 0.00 0.00 0.00 53.44 52.38 2k20 n ALA 79 Cb 0.58 -1.77 -0.08 0.00 0.00 0.00 0.00 19.45 18.18 2k20 n ALA 79 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2k20 h ASN 80 N -1.74 -1.15 -0.57 0.00 2.35 -1.89 0.87 115.58 113.46 2k20 h ASN 80 Ca -0.46 0.11 0.02 0.00 -0.55 0.00 0.00 56.30 55.41 2k20 h ASN 80 Cb 1.30 0.40 -0.03 0.00 0.05 0.00 0.00 38.32 40.04 2k20 h ASN 80 CO 0.36 -0.53 0.38 0.06 -1.65 0.00 0.00 177.43 176.04 2k20 h GLN 81 N -0.77 0.70 -0.33 0.81 -0.00 -1.97 0.45 115.11 114.01 2k20 h GLN 81 Ca -0.02 -0.04 -0.16 0.00 -0.00 0.00 0.00 58.65 58.43 2k20 h GLN 81 Cb 0.72 -0.16 -0.00 0.00 -0.00 0.00 0.00 27.48 28.04 2k20 h GLN 81 CO -0.13 0.46 -0.44 1.49 -0.00 0.00 0.00 178.83 180.22 2k20 h GLU 82 N 0.72 0.87 -0.38 0.06 4.22 -1.73 -1.48 114.58 116.87 2k20 h GLU 82 Ca 0.22 -0.50 -0.14 0.00 0.08 0.00 0.00 59.36 59.01 2k20 h GLU 82 Cb -0.02 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2k20 h GLU 82 CO -0.05 1.14 -0.33 0.00 -2.18 0.00 0.00 179.01 177.59 2k20 h ALA 83 N 0.72 0.69 -0.04 2.92 0.00 0.17 0.15 119.26 123.87 2k20 h ALA 83 Ca 0.04 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 2k20 h ALA 83 Cb 1.04 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2k20 h ALA 83 CO 0.10 0.67 -0.28 0.52 0.00 0.00 0.00 179.25 180.26 2k20 h MET 84 N 0.72 0.07 0.05 0.00 2.86 -0.05 0.37 114.93 118.95 2k20 h MET 84 Ca 0.07 -0.02 -0.23 0.00 -2.06 0.00 0.00 59.70 57.46 2k20 h MET 84 Cb 0.90 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.53 2k20 h MET 84 CO 0.08 0.35 -1.08 1.49 1.06 0.00 0.00 176.91 178.81 2k20 h GLU 85 N 0.07 0.11 -0.22 1.72 4.57 -0.93 -1.62 114.58 118.27 2k20 h GLU 85 Ca 0.01 -0.18 -0.13 0.00 -1.18 0.00 0.00 59.36 57.88 2k20 h GLU 85 Cb 0.53 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 2k20 h GLU 85 CO 0.04 1.08 -0.41 1.15 -1.18 0.00 0.00 179.01 179.68 2k20 h THR 86 N 0.03 1.30 0.08 0.32 2.02 0.05 -0.44 112.91 116.28 2k20 h THR 86 Ca -0.06 -1.57 -0.25 0.00 0.77 0.00 0.00 66.41 65.30 2k20 h THR 86 Cb 1.82 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 69.81 2k20 h THR 86 CO 0.16 0.49 -1.13 0.17 0.37 0.00 0.00 175.52 175.58 2k20 h LEU 87 N 0.43 0.41 0.20 2.58 8.10 -0.98 -0.85 115.31 125.19 2k20 h LEU 87 Ca 0.04 -0.40 -0.01 0.00 0.11 0.00 0.00 57.88 57.62 2k20 h LEU 87 Cb 0.90 -0.13 0.00 0.00 -0.44 0.00 0.00 40.66 40.99 2k20 h LEU 87 CO 0.08 1.27 -0.10 0.03 -4.11 0.00 0.00 178.44 175.61 2k20 h ARG 88 N 0.11 -0.26 -0.08 0.17 3.08 -1.09 0.80 114.38 117.10 2k20 h ARG 88 Ca -0.11 0.02 -0.16 0.00 0.07 0.00 0.00 59.98 59.80 2k20 h ARG 88 Cb 1.83 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.93 2k20 h ARG 88 CO 0.18 -0.12 -0.64 -0.09 -1.07 0.00 0.00 179.97 178.24 2k20 h ARG 89 N -0.34 0.29 0.00 0.04 1.12 -1.16 0.11 114.38 114.44 2k20 h ARG 89 Ca -0.03 -0.21 -0.11 0.00 -1.11 0.00 0.00 59.98 58.52 2k20 h ARG 89 Cb 0.26 0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 30.24 2k20 h ARG 89 CO 0.05 0.83 -0.52 0.77 -3.11 0.00 0.00 179.97 177.99 2k20 h SER 90 N 0.21 0.00 1.03 -3.80 0.02 -0.95 -0.60 113.55 109.47 2k20 h SER 90 Ca -0.01 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 2k20 h SER 90 Cb 1.17 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 2k20 h SER 90 CO 0.10 0.52 -0.99 0.00 -1.14 0.00 0.00 176.83 175.32 2k20 h MET 91 N 0.00 0.00 -0.13 3.45 -0.00 0.80 0.28 114.93 119.32 2k20 h MET 91 Ca -0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.59 2k20 h MET 91 Cb 0.95 0.00 -0.09 0.00 -0.00 0.00 0.00 31.60 32.47 2k20 h MET 91 CO 0.07 0.07 -0.57 0.45 -0.00 0.00 0.00 176.91 176.93 2k20 n SER 92 N -2.77 2.26 0.00 -0.10 2.88 0.01 -3.35 113.62 112.55 2k20 n SER 92 Ca -0.02 -3.83 0.00 0.00 -1.33 0.00 0.00 58.87 53.69 2k20 n SER 92 Cb 0.61 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 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 -1.01 0.00 -0.03 2.46 5.66 -0.25 -4.91 114.28 116.20 2k20 n THR 93 Ca 0.23 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 61.18 2k20 n THR 93 Cb 0.75 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.51 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 -0.67 0.13 0.05 1.09 1.02 -1.16 -4.35 120.64 116.74 2k20 n GLU 94 Ca 0.00 0.04 -0.10 0.00 -0.02 0.00 0.00 57.16 57.08 2k20 n GLU 94 Cb 0.00 -0.87 0.03 0.00 -0.02 0.00 0.00 31.44 30.58 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 0.04 0.47 1.68 0.62 0.00 -0.67 -3.13 103.07 102.08 2k20 h GLY 95 Ca -0.14 -0.66 -0.14 0.00 0.00 0.00 0.00 47.33 46.39 2k20 h GLY 95 CO -0.06 0.58 -0.56 -0.57 0.00 0.00 0.00 176.54 175.94 2k20 h ASN 96 N 0.29 0.38 -1.68 0.19 -0.00 -1.74 0.11 115.58 113.14 2k20 h ASN 96 Ca -0.03 -0.20 0.52 0.00 -0.00 0.00 0.00 56.30 56.58 2k20 h ASN 96 Cb 1.30 -0.11 -0.10 0.00 -0.00 0.00 0.00 38.32 39.41 2k20 h ASN 96 CO 0.13 0.86 1.16 0.11 -0.00 0.00 0.00 177.43 179.69 2k20 h LYS 97 N 0.26 0.01 0.00 6.67 1.57 -1.74 0.34 116.57 123.69 2k20 h LYS 97 Ca 0.00 -0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.59 2k20 h LYS 97 Cb 1.06 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.33 2k20 h LYS 97 CO 0.09 0.01 -1.85 2.89 -0.57 0.00 0.00 179.45 180.02 2k20 n ARG 98 N -4.28 1.61 0.00 3.15 0.00 -1.19 -5.01 116.66 110.94 2k20 n ARG 98 Ca 0.41 -0.03 0.00 0.00 -0.00 0.00 0.00 57.85 58.24 2k20 n ARG 98 Cb 1.77 -1.33 0.00 0.00 -0.00 0.00 0.00 32.46 32.90 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 2.11 0.99 3.39 2.89 0.00 0.12 -5.03 105.19 109.66 2k20 n GLY 99 Ca -0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 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 0.71 -0.01 1.61 0.23 0.36 0.10 119.30 122.31 2k20 s MET 100 Ca 0.00 0.41 0.01 0.00 -1.03 0.00 0.00 55.69 55.08 2k20 s MET 100 Cb 0.00 0.34 -0.04 0.00 -1.53 0.00 0.00 34.83 33.60 2k20 s MET 100 CO 0.00 -0.15 0.02 -1.50 -2.03 0.00 0.00 175.02 171.35 2k20 s ILE 101 N -0.41 4.26 0.20 3.16 2.07 0.90 -4.30 121.20 127.08 2k20 s ILE 101 Ca -0.06 -0.55 -0.30 0.00 -1.41 0.00 0.00 60.65 58.34 2k20 s ILE 101 Cb -0.03 -2.91 -0.08 0.00 0.13 0.00 0.00 42.46 39.57 2k20 s ILE 101 CO 0.03 0.38 1.04 -1.58 -1.91 0.00 0.00 174.94 172.91 2k20 s GLN 102 N -1.56 4.67 0.03 3.50 -0.44 -1.26 -1.05 119.66 123.55 2k20 s GLN 102 Ca 0.20 1.64 0.02 0.00 -2.50 0.00 0.00 55.36 54.72 2k20 s GLN 102 Cb -0.12 -3.28 -0.02 0.00 -1.64 0.00 0.00 33.01 27.96 2k20 s GLN 102 CO 0.10 0.21 -0.08 -0.51 0.50 0.00 0.00 175.29 175.52 2k20 s LEU 103 N -0.65 2.19 -0.14 3.68 1.43 0.35 0.05 118.68 125.58 2k20 s LEU 103 Ca 0.46 -0.43 -0.04 0.00 -1.03 0.00 0.00 54.13 53.10 2k20 s LEU 103 Cb -0.28 -0.22 0.05 0.00 0.03 0.00 0.00 46.19 45.77 2k20 s LEU 103 CO 0.34 -0.12 0.09 -0.63 0.23 0.00 0.00 176.35 176.27 2k20 s ILE 104 N -1.02 -0.12 0.46 -0.59 1.01 0.15 0.65 121.20 121.75 2k20 s ILE 104 Ca -0.06 -0.00 0.03 0.00 0.00 0.00 0.00 60.65 60.61 2k20 s ILE 104 Cb -0.08 -0.47 -0.03 0.00 0.01 0.00 0.00 42.46 41.89 2k20 s ILE 104 CO 0.00 -0.16 0.03 0.68 0.00 0.00 0.00 174.94 175.50 2k20 s VAL 105 N 2.16 1.17 -0.11 2.92 -7.23 -0.35 0.93 120.40 119.89 2k20 s VAL 105 Ca 0.03 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.13 2k20 s VAL 105 Cb -0.15 -2.36 0.04 0.00 0.56 0.00 0.00 36.38 34.47 2k20 s VAL 105 CO -0.08 0.00 0.27 0.00 -0.31 0.00 0.00 175.10 174.99 2k20 s ALA 106 N -2.94 -0.66 0.34 1.32 0.00 0.30 0.25 121.76 120.37 2k20 s ALA 106 Ca 0.15 1.01 0.05 0.00 0.00 0.00 0.00 51.96 53.18 2k20 s ALA 106 Cb 0.03 -0.62 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 2k20 s ALA 106 CO 0.08 -0.19 0.34 2.89 0.00 0.00 0.00 175.76 178.88 2k20 n ARG 107 N 3.89 0.49 -3.66 0.00 -4.01 -0.81 0.01 116.66 112.57 2k20 n ARG 107 Ca -0.22 -3.19 -0.36 0.00 -1.04 0.00 0.00 57.85 53.05 2k20 n ARG 107 Cb 0.55 2.73 -0.06 0.00 -3.04 0.00 0.00 32.46 32.64 2k20 n ARG 107 CO 0.00 0.00 0.00 1.03 -3.04 0.00 0.00 177.63 175.62 2k20 s ARG 108 N -3.20 3.70 0.52 2.89 0.52 -1.26 -1.45 118.95 120.67 2k20 s ARG 108 Ca 0.37 0.12 0.30 0.00 -0.52 0.00 0.00 55.73 56.00 2k20 s ARG 108 Cb 0.01 -3.11 1.35 0.00 0.52 0.00 0.00 34.95 33.72 2k20 s ARG 108 CO 0.26 0.65 1.99 0.82 0.02 0.00 0.00 175.30 179.05 2k20 h ILE 109 N 3.30 0.32 0.00 1.52 2.04 -0.67 -3.49 117.51 120.53 2k20 h ILE 109 Ca -0.51 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 64.69 2k20 h ILE 109 Cb 1.21 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 2k20 h ILE 109 CO 0.64 0.10 0.00 -0.24 0.00 0.00 0.00 178.15 178.65