#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 0.35 -2.43 2.61 -2.24 -1.26 -4.70 114.28 106.61 2k20 n THR 8 Ca 0.00 0.09 -0.43 0.00 -2.27 0.00 0.00 64.05 61.44 2k20 n THR 8 Cb 0.00 -0.72 -0.02 0.00 -2.10 0.00 0.00 70.33 67.49 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 -2.67 3.60 0.25 -0.78 1.81 -1.25 -1.01 118.95 118.90 2k20 s ARG 9 Ca 0.19 0.78 0.06 0.00 -1.72 0.00 0.00 55.73 55.04 2k20 s ARG 9 Cb 0.15 -3.99 -0.05 0.00 -0.45 0.00 0.00 34.95 30.60 2k20 s ARG 9 CO 0.35 -1.53 -0.07 -1.83 -0.68 0.00 0.00 175.30 171.53 2k20 s GLU 10 N 4.82 1.46 0.01 3.54 -1.05 -0.54 -4.93 118.70 122.01 2k20 s GLU 10 Ca 0.56 -1.72 -0.02 0.00 -0.15 0.00 0.00 54.97 53.65 2k20 s GLU 10 Cb -0.11 -1.07 -0.04 0.00 -0.44 0.00 0.00 34.13 32.47 2k20 s GLU 10 CO 0.32 0.06 0.18 -0.06 0.95 0.00 0.00 175.26 176.71 2k20 s PHE 11 N -3.06 3.51 -0.04 4.83 0.40 -1.26 -2.02 117.98 120.34 2k20 s PHE 11 Ca 0.27 0.31 -0.02 0.00 -0.60 0.00 0.00 56.93 56.90 2k20 s PHE 11 Cb 0.03 -1.80 0.03 0.00 0.51 0.00 0.00 43.02 41.79 2k20 s PHE 11 CO 0.10 0.62 0.05 -0.51 0.70 0.00 0.00 175.22 176.18 2k20 s LEU 12 N -2.06 0.32 0.02 -0.37 1.02 0.13 -4.97 118.68 112.77 2k20 s LEU 12 Ca 0.29 0.06 -0.11 0.00 0.02 0.00 0.00 54.13 54.38 2k20 s LEU 12 Cb -0.13 -0.16 -0.05 0.00 0.02 0.00 0.00 46.19 45.87 2k20 s LEU 12 CO 0.21 -0.23 0.37 -0.89 0.02 0.00 0.00 176.35 175.82 2k20 s THR 13 N 1.99 5.13 0.24 5.49 2.01 -1.26 -0.95 115.64 128.30 2k20 s THR 13 Ca 0.03 0.54 -0.01 0.00 0.31 0.00 0.00 61.69 62.56 2k20 s THR 13 Cb -0.12 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 2k20 s THR 13 CO -0.03 0.43 0.23 -0.36 -0.69 0.00 0.00 174.62 174.20 2k20 s PHE 14 N -1.24 1.19 -0.23 4.92 0.08 0.36 -4.94 117.98 118.13 2k20 s PHE 14 Ca 0.27 -1.36 -0.02 0.00 0.12 0.00 0.00 56.93 55.95 2k20 s PHE 14 Cb -0.15 -0.47 0.07 0.00 -0.57 0.00 0.00 43.02 41.91 2k20 s PHE 14 CO 0.15 -0.77 0.03 -1.21 -0.10 0.00 0.00 175.22 173.32 2k20 s GLU 15 N -3.90 0.85 -0.33 0.44 8.01 -1.26 0.30 118.70 122.81 2k20 s GLU 15 Ca 0.37 -0.68 -0.10 0.00 0.01 0.00 0.00 54.97 54.56 2k20 s GLU 15 Cb 0.05 -2.17 0.00 0.00 -4.31 0.00 0.00 34.13 27.69 2k20 s GLU 15 CO 0.16 -0.72 0.17 0.08 0.01 0.00 0.00 175.26 174.96 2k20 s VAL 16 N 1.71 4.60 -0.08 2.63 1.01 0.12 -4.89 120.40 125.50 2k20 s VAL 16 Ca 0.01 -0.52 -0.25 0.00 0.00 0.00 0.00 61.98 61.21 2k20 s VAL 16 Cb -0.17 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 2k20 s VAL 16 CO -0.12 -0.00 0.80 -2.16 0.00 0.00 0.00 175.10 173.61 2k20 s PRO 17 N 1.60 4.42 -0.18 2.72 0.04 -1.26 -0.34 135.00 142.00 2k20 s PRO 17 Ca 0.04 1.03 0.13 0.00 0.04 0.00 0.00 61.00 62.24 2k20 s PRO 17 Cb -0.18 -3.49 0.40 0.00 0.04 0.00 0.00 34.50 31.28 2k20 s PRO 17 CO 0.06 -0.07 1.20 1.47 0.04 0.00 0.00 177.00 179.70 2k20 n LEU 18 N 4.23 2.46 -0.65 -3.56 -0.00 -0.12 -4.49 117.00 114.87 2k20 n LEU 18 Ca 0.02 -3.59 0.50 0.00 -0.00 0.00 0.00 56.01 52.94 2k20 n LEU 18 Cb 0.51 -0.46 0.78 0.00 -0.00 0.00 0.00 43.42 44.24 2k20 n LEU 18 CO 0.48 1.23 1.41 -0.46 -0.00 0.00 0.00 177.39 180.05 2k20 n ASN 19 N -0.98 0.04 -0.04 1.45 6.94 -1.21 0.12 115.26 121.58 2k20 n ASN 19 Ca 0.17 1.04 -0.04 0.00 -0.02 0.00 0.00 54.58 55.73 2k20 n ASN 19 Cb 0.73 -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 -4.02 3.25 0.00 0.53 8.00 -1.26 -4.51 116.55 118.55 2k20 n ASP 20 Ca 0.43 -0.01 0.08 0.00 0.71 0.00 0.00 54.79 56.00 2k20 n ASP 20 Cb 1.90 0.43 0.41 0.00 -0.02 0.00 0.00 41.12 43.84 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 -2.41 0.00 -0.50 -2.24 2.88 0.57 -3.60 113.62 108.32 2k20 n SER 21 Ca -0.13 0.14 0.43 0.00 -1.33 0.00 0.00 58.87 57.98 2k20 n SER 21 Cb 0.72 -0.33 0.78 0.00 -0.75 0.00 0.00 64.21 64.62 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 2.83 0.00 1.19 0.46 0.00 0.74 1.06 103.07 109.34 2k20 h GLY 22 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.01 2k20 h GLY 22 CO 0.00 0.00 -1.56 1.76 0.00 0.00 0.00 176.54 176.74 2k20 h SER 23 N 0.00 0.57 0.07 0.19 0.02 -1.84 -3.28 113.55 109.29 2k20 h SER 23 Ca 0.73 -0.74 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2k20 h SER 23 Cb 2.98 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 65.34 2k20 h SER 23 CO -0.01 1.61 -0.02 0.00 -1.14 0.00 0.00 176.83 177.27 2k20 n ALA 24 N -2.73 2.66 0.00 3.77 0.00 0.30 -4.93 120.51 119.59 2k20 n ALA 24 Ca -0.18 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2k20 n ALA 24 Cb 1.07 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 19.15 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 1.12 1.97 0.00 0.00 0.00 0.25 -3.53 105.19 105.00 2k20 n GLY 25 Ca 0.20 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -4.63 117.00 120.07 2k20 n LEU 26 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2k20 n LEU 26 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2k20 n LEU 26 CO 0.00 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 2k20 n GLY 27 N 0.00 0.71 3.53 -3.96 0.00 -1.23 0.18 105.19 104.42 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 -0.92 0.02 -0.17 1.61 -7.23 -1.26 0.11 120.40 112.56 2k20 s VAL 28 Ca 0.00 -0.61 0.01 0.00 -1.81 0.00 0.00 61.98 59.56 2k20 s VAL 28 Cb 0.00 -1.47 0.03 0.00 0.56 0.00 0.00 36.38 35.50 2k20 s VAL 28 CO 0.00 -0.09 -0.12 -0.44 -0.31 0.00 0.00 175.10 174.14 2k20 s SER 29 N -2.85 3.00 0.03 4.85 0.01 0.18 -4.86 113.70 114.06 2k20 s SER 29 Ca 0.07 -0.67 0.04 0.00 1.31 0.00 0.00 55.95 56.70 2k20 s SER 29 Cb -0.01 -1.19 -0.03 0.00 0.21 0.00 0.00 66.02 65.00 2k20 s SER 29 CO -0.05 -0.10 -0.08 0.68 0.41 0.00 0.00 173.24 174.10 2k20 s VAL 30 N 1.46 3.55 -0.07 3.43 -7.23 -1.26 0.16 120.40 120.43 2k20 s VAL 30 Ca 0.02 -0.91 -0.03 0.00 -1.81 0.00 0.00 61.98 59.25 2k20 s VAL 30 Cb -0.14 -2.57 0.04 0.00 0.56 0.00 0.00 36.38 34.27 2k20 s VAL 30 CO -0.09 0.32 0.16 -1.59 -0.31 0.00 0.00 175.10 173.58 2k20 s LYS 31 N -1.61 0.10 0.19 4.82 -2.85 -0.94 -4.87 119.74 114.59 2k20 s LYS 31 Ca 0.18 0.38 0.05 0.00 -1.00 0.00 0.00 55.97 55.58 2k20 s LYS 31 Cb -0.11 -0.17 -0.04 0.00 -2.06 0.00 0.00 37.83 35.45 2k20 s LYS 31 CO 0.09 -0.16 0.22 0.20 0.10 0.00 0.00 175.35 175.79 2k20 s GLY 32 N 1.16 1.56 0.55 0.59 0.00 -1.26 -1.80 107.32 108.12 2k20 s GLY 32 Ca -0.09 -1.23 0.07 0.00 0.00 0.00 0.00 44.72 43.47 2k20 s GLY 32 CO -0.06 -1.25 0.58 0.54 0.00 0.00 0.00 173.10 172.91 2k20 s ASN 33 N -3.45 4.87 -0.05 1.64 4.22 -0.79 -4.96 114.94 116.42 2k20 s ASN 33 Ca 0.33 -1.04 -0.00 0.00 -2.14 0.00 0.00 52.86 50.00 2k20 s ASN 33 Cb -0.10 0.32 0.03 0.00 1.28 0.00 0.00 41.25 42.78 2k20 s ASN 33 CO 0.26 -1.20 -0.01 -0.60 -2.04 0.00 0.00 177.10 173.51 2k20 s ARG 34 N -4.45 0.52 -0.17 3.55 3.52 -1.26 -2.01 118.95 118.65 2k20 s ARG 34 Ca 0.47 0.05 -0.38 0.00 -0.13 0.00 0.00 55.73 55.74 2k20 s ARG 34 Cb -0.04 -0.73 -0.14 0.00 -1.56 0.00 0.00 34.95 32.48 2k20 s ARG 34 CO 0.30 -0.18 1.74 0.43 -0.81 0.00 0.00 175.30 176.78 2k20 n SER 35 N 4.46 2.67 0.03 -2.12 7.64 0.27 -4.69 113.62 121.86 2k20 n SER 35 Ca -0.19 1.05 0.06 0.00 1.01 0.00 0.00 58.87 60.80 2k20 n SER 35 Cb 0.50 -1.23 0.28 0.00 -1.01 0.00 0.00 64.21 62.76 2k20 n SER 35 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2k20 n LYS 36 N 5.41 0.03 0.01 1.43 0.00 -1.26 0.68 118.16 124.46 2k20 n LYS 36 Ca 0.24 0.34 -0.01 0.00 -0.00 0.00 0.00 58.31 58.88 2k20 n LYS 36 Cb 0.19 -1.57 -0.01 0.00 -0.00 0.00 0.00 35.03 33.64 2k20 n LYS 36 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2k20 h GLU 37 N 0.00 -0.08 0.00 -1.58 4.39 -1.96 -3.41 114.58 111.94 2k20 h GLU 37 Ca 0.00 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2k20 h GLU 37 Cb 0.20 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.82 2k20 h GLU 37 CO 0.00 -0.05 -0.40 0.27 -1.16 0.00 0.00 179.01 177.67 2k20 n ASN 38 N -3.61 1.69 -3.68 1.42 0.23 -1.22 -4.99 115.26 105.09 2k20 n ASN 38 Ca -0.01 -3.25 -0.24 0.00 -0.53 0.00 0.00 54.58 50.55 2k20 n ASN 38 Cb 0.03 -0.44 0.03 0.00 -2.08 0.00 0.00 39.78 37.32 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 -0.93 -1.93 -3.92 -2.53 8.25 0.21 -4.96 115.22 109.41 2k20 n HIS 39 Ca 0.15 0.70 -0.35 0.00 -0.26 0.00 0.00 57.72 57.96 2k20 n HIS 39 Cb 0.73 -3.97 -0.13 0.00 1.12 0.00 0.00 29.99 27.74 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 -3.62 2.91 -0.30 -1.41 0.00 -1.17 -4.69 121.76 113.48 2k20 s ALA 40 Ca 0.20 -1.13 -0.40 0.00 0.00 0.00 0.00 51.96 50.63 2k20 s ALA 40 Cb -0.06 -1.78 -0.15 0.00 0.00 0.00 0.00 23.12 21.13 2k20 s ALA 40 CO 0.83 -0.39 1.81 -0.40 0.00 0.00 0.00 175.76 177.62 2k20 n ASP 41 N 4.72 2.32 0.08 0.00 5.68 -1.26 0.95 116.55 129.03 2k20 n ASP 41 Ca -0.18 0.99 -0.04 0.00 -0.50 0.00 0.00 54.79 55.06 2k20 n ASP 41 Cb 0.51 -1.15 -0.08 0.00 -1.14 0.00 0.00 41.12 39.27 2k20 n ASP 41 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2k20 h LEU 42 N 7.88 0.00 0.00 -2.12 3.38 -1.74 -3.46 115.31 119.25 2k20 h LEU 42 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2k20 h LEU 42 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2k20 h LEU 42 CO 0.97 0.83 0.00 0.61 0.09 0.00 0.00 178.44 180.94 2k20 n GLY 43 N 1.33 2.32 3.89 0.83 0.00 -1.26 -4.97 105.19 107.33 2k20 n GLY 43 Ca -0.01 -1.85 -0.27 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.60 5.09 0.00 -0.61 -0.00 -1.26 -1.89 121.20 120.93 2k20 s ILE 44 Ca 0.00 -0.72 -0.00 0.00 -0.00 0.00 0.00 60.65 59.93 2k20 s ILE 44 Cb 0.00 -3.58 -0.00 0.00 -0.00 0.00 0.00 42.46 38.88 2k20 s ILE 44 CO 0.00 -0.03 0.00 -0.36 -0.00 0.00 0.00 174.94 174.55 2k20 s PHE 45 N -1.67 0.04 -0.41 1.37 0.40 -0.75 -1.46 117.98 115.51 2k20 s PHE 45 Ca 0.33 -0.08 -0.28 0.00 -0.60 0.00 0.00 56.93 56.31 2k20 s PHE 45 Cb -0.11 -0.03 -0.08 0.00 0.51 0.00 0.00 43.02 43.31 2k20 s PHE 45 CO 0.27 -0.04 2.34 0.28 0.70 0.00 0.00 175.22 178.77 2k20 n VAL 46 N 2.82 0.10 0.01 -0.44 0.31 -0.88 -2.22 118.33 118.03 2k20 n VAL 46 Ca -0.14 -0.58 -0.19 0.00 -0.01 0.00 0.00 64.34 63.42 2k20 n VAL 46 Cb 0.59 -2.46 -0.10 0.00 -0.91 0.00 0.00 33.84 30.96 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 16.81 0.63 -1.38 5.55 1.63 0.11 0.21 116.57 140.13 2k20 h LYS 47 Ca -0.29 -0.63 0.13 0.00 -0.85 0.00 0.00 60.65 59.01 2k20 h LYS 47 Cb 1.27 0.17 -0.25 0.00 -0.60 0.00 0.00 32.23 32.82 2k20 h LYS 47 CO 1.09 1.23 0.23 -1.54 -3.45 0.00 0.00 179.45 177.01 2k20 s SER 48 N -7.06 -0.64 -0.26 4.20 1.04 -0.83 -4.84 113.70 105.32 2k20 s SER 48 Ca -0.11 0.93 -0.19 0.00 0.48 0.00 0.00 55.95 57.07 2k20 s SER 48 Cb 0.06 1.54 -0.02 0.00 0.10 0.00 0.00 66.02 67.69 2k20 s SER 48 CO 0.88 -0.14 0.55 -0.63 0.98 0.00 0.00 173.24 174.88 2k20 s ILE 49 N 2.02 5.04 -0.33 -1.02 1.01 -1.26 0.47 121.20 127.13 2k20 s ILE 49 Ca -0.06 0.95 -0.30 0.00 0.00 0.00 0.00 60.65 61.23 2k20 s ILE 49 Cb -0.06 -3.86 -0.08 0.00 0.01 0.00 0.00 42.46 38.47 2k20 s ILE 49 CO -0.17 0.07 2.26 -0.38 0.00 0.00 0.00 174.94 176.72 2k20 n ILE 50 N 5.17 0.21 -1.06 2.92 -0.00 0.31 -4.79 119.36 122.12 2k20 n ILE 50 Ca -0.03 -0.43 -0.37 0.00 -0.00 0.00 0.00 62.75 61.92 2k20 n ILE 50 Cb 0.49 -2.20 -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 11.66 1.74 0.00 4.38 6.94 -1.26 -1.38 115.26 137.33 2k20 n ASN 51 Ca 0.36 -2.57 0.00 0.00 -0.02 0.00 0.00 54.58 52.35 2k20 n ASN 51 Cb 0.37 -1.04 0.00 0.00 -2.36 0.00 0.00 39.78 36.75 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 5.16 0.31 0.22 4.83 0.00 -1.26 -5.07 105.19 109.36 2k20 n GLY 52 Ca 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.47 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 -2.47 0.29 -0.02 0.00 -0.48 -4.69 105.19 97.82 2k20 n GLY 53 Ca 0.00 -1.45 -0.08 0.00 0.00 0.00 0.00 46.02 44.49 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 0.83 -0.20 4.61 0.00 0.17 -1.53 119.26 121.10 2k20 h ALA 54 Ca -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2k20 h ALA 54 Cb 0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2k20 h ALA 54 CO 0.02 0.51 0.09 0.00 0.00 0.00 0.00 179.25 179.87 2k20 h ALA 55 N 1.07 0.26 0.00 0.00 0.00 0.10 0.11 119.26 120.80 2k20 h ALA 55 Ca 0.20 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2k20 h ALA 55 Cb 0.31 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2k20 h ALA 55 CO -0.00 -0.16 -0.35 1.03 0.00 0.00 0.00 179.25 179.76 2k20 h SER 56 N 0.18 0.00 0.56 0.00 0.87 -1.71 -2.68 113.55 110.77 2k20 h SER 56 Ca 0.07 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.45 2k20 h SER 56 Cb 0.15 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 2k20 h SER 56 CO -0.01 0.35 -0.79 0.11 -0.53 0.00 0.00 176.83 175.97 2k20 h LYS 57 N 0.00 0.17 0.00 2.24 1.57 -0.91 -3.08 116.57 116.56 2k20 h LYS 57 Ca -0.00 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 2k20 h LYS 57 Cb 0.67 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 2k20 h LYS 57 CO 0.05 0.87 -0.05 0.22 -0.57 0.00 0.00 179.45 179.97 2k20 h ASP 58 N 0.11 0.00 -0.77 0.86 3.58 -0.62 -3.46 116.42 116.11 2k20 h ASP 58 Ca -0.03 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.13 2k20 h ASP 58 Cb 1.38 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 42.32 2k20 h ASP 58 CO 0.12 0.05 -0.27 0.61 -2.88 0.00 0.00 179.24 176.87 2k20 n GLY 59 N -1.28 1.34 0.00 -0.78 0.00 -1.17 -4.81 105.19 98.49 2k20 n GLY 59 Ca -0.03 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.57 2.80 -3.18 1.61 1.74 -1.26 -5.04 116.66 110.76 2k20 n ARG 60 Ca -0.14 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.55 2k20 n ARG 60 Cb 0.48 -0.70 -0.06 0.00 -1.02 0.00 0.00 32.46 31.16 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 -1.97 4.44 -0.05 0.55 1.43 -1.26 -5.07 118.68 116.75 2k20 s LEU 61 Ca 0.00 1.22 -0.04 0.00 -1.03 0.00 0.00 54.13 54.28 2k20 s LEU 61 Cb 0.00 -2.97 0.02 0.00 0.03 0.00 0.00 46.19 43.27 2k20 s LEU 61 CO 0.00 0.11 0.12 0.00 0.23 0.00 0.00 176.35 176.81 2k20 s ARG 62 N -0.29 0.12 0.48 1.70 3.03 -1.26 -4.87 118.95 117.87 2k20 s ARG 62 Ca 0.32 0.20 -0.22 0.00 2.03 0.00 0.00 55.73 58.06 2k20 s ARG 62 Cb -0.19 0.01 -0.09 0.00 -1.03 0.00 0.00 34.95 33.65 2k20 s ARG 62 CO 0.18 -0.05 0.92 0.28 -1.13 0.00 0.00 175.30 175.50 2k20 n VAL 63 N 3.27 2.67 -0.65 4.99 0.31 -1.26 -2.73 118.33 124.93 2k20 n VAL 63 Ca -0.15 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.68 2k20 n VAL 63 Cb 0.58 -1.07 0.00 0.00 -0.91 0.00 0.00 33.84 32.44 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 0.26 -1.95 -4.57 4.52 3.02 0.75 -4.93 115.26 112.34 2k20 n ASN 64 Ca 0.11 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.24 2k20 n ASN 64 Cb 0.42 -0.33 -0.07 0.00 -0.61 0.00 0.00 39.78 39.19 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 -2.07 6.40 0.05 6.41 1.11 -1.10 -4.77 116.67 122.70 2k20 s ASP 65 Ca 0.00 0.17 -0.31 0.00 0.18 0.00 0.00 52.55 52.59 2k20 s ASP 65 Cb 0.00 -2.30 -0.06 0.00 1.07 0.00 0.00 42.92 41.63 2k20 s ASP 65 CO 0.00 -0.51 1.26 -1.58 1.18 0.00 0.00 175.17 175.52 2k20 s GLN 66 N 2.55 4.38 0.41 8.23 0.74 -0.66 -2.06 119.66 133.26 2k20 s GLN 66 Ca 0.22 1.84 -0.16 0.00 0.05 0.00 0.00 55.36 57.32 2k20 s GLN 66 Cb -0.15 -3.37 -0.09 0.00 1.10 0.00 0.00 33.01 30.50 2k20 s GLN 66 CO 0.13 -0.35 0.86 -0.51 -0.55 0.00 0.00 175.29 174.87 2k20 s LEU 67 N 1.34 3.87 0.00 3.68 1.43 -0.53 0.89 118.68 129.36 2k20 s LEU 67 Ca 0.60 1.41 0.00 0.00 -1.03 0.00 0.00 54.13 55.11 2k20 s LEU 67 Cb -0.31 -4.28 0.00 0.00 0.03 0.00 0.00 46.19 41.63 2k20 s LEU 67 CO 0.28 -0.38 0.00 -0.38 0.23 0.00 0.00 176.35 176.10 2k20 n ILE 68 N -0.95 0.00 -4.11 -0.59 5.41 0.43 -4.58 119.36 114.97 2k20 n ILE 68 Ca 0.05 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.71 2k20 n ILE 68 Cb 0.54 -0.04 -0.10 0.00 -0.71 0.00 0.00 39.64 39.33 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 -1.10 0.66 -0.19 -1.39 0.00 -0.91 0.12 121.76 118.96 2k20 s ALA 69 Ca 0.00 -1.18 -0.07 0.00 0.00 0.00 0.00 51.96 50.71 2k20 s ALA 69 Cb 0.00 0.20 0.09 0.00 0.00 0.00 0.00 23.12 23.41 2k20 s ALA 69 CO 0.00 -0.28 0.40 0.54 0.00 0.00 0.00 175.76 176.42 2k20 s VAL 70 N -3.43 -0.59 -1.55 0.00 0.11 0.15 -1.83 120.40 113.26 2k20 s VAL 70 Ca 0.06 0.18 0.00 0.00 -2.93 0.00 0.00 61.98 59.29 2k20 s VAL 70 Cb 0.04 -0.64 0.00 0.00 -1.53 0.00 0.00 36.38 34.26 2k20 s VAL 70 CO -0.07 0.07 0.00 0.59 -3.33 0.00 0.00 175.10 172.37 2k20 n ASN 71 N 5.32 -5.23 0.00 3.54 3.02 0.06 -0.82 115.26 121.15 2k20 n ASN 71 Ca -0.09 0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 2k20 n ASN 71 Cb 0.50 -4.38 0.00 0.00 -0.61 0.00 0.00 39.78 35.28 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 -0.92 0.59 2.94 7.41 0.00 -1.26 -4.97 105.19 108.97 2k20 n GLY 72 Ca -0.21 -0.81 -0.28 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.25 1.74 0.54 1.61 0.41 0.00 -5.13 118.70 115.62 2k20 s GLU 73 Ca 0.00 -0.43 -0.19 0.00 -0.41 0.00 0.00 54.97 53.94 2k20 s GLU 73 Cb 0.00 -1.87 -0.06 0.00 -1.78 0.00 0.00 34.13 30.42 2k20 s GLU 73 CO 0.00 -0.31 1.11 0.45 -0.49 0.00 0.00 175.26 176.03 2k20 s SER 74 N 1.61 5.81 -0.01 -0.19 0.15 -1.26 0.30 113.70 120.11 2k20 s SER 74 Ca 0.04 2.13 0.10 0.00 0.70 0.00 0.00 55.95 58.91 2k20 s SER 74 Cb -0.13 -2.58 -0.15 0.00 -1.71 0.00 0.00 66.02 61.45 2k20 s SER 74 CO -0.09 -1.16 0.22 0.18 1.20 0.00 0.00 173.24 173.60 2k20 n LEU 75 N -1.28 0.03 0.27 3.45 4.77 0.32 -4.53 117.00 120.03 2k20 n LEU 75 Ca 0.11 -0.03 0.17 0.00 -0.03 0.00 0.00 56.01 56.23 2k20 n LEU 75 Cb 0.51 0.00 0.85 0.00 -2.33 0.00 0.00 43.42 42.45 2k20 n LEU 75 CO 0.42 0.01 1.15 0.25 -1.33 0.00 0.00 177.39 177.88 2k20 h LEU 76 N 0.00 0.00 -3.03 2.23 5.85 -1.91 -0.00 115.31 118.44 2k20 h LEU 76 Ca 0.00 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.47 2k20 h LEU 76 Cb 0.43 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 41.31 2k20 h LEU 76 CO 0.00 0.00 0.32 0.61 -0.34 0.00 0.00 178.44 179.03 2k20 n GLY 77 N -1.29 3.27 3.54 3.75 0.00 -1.26 -4.87 105.19 108.33 2k20 n GLY 77 Ca 0.00 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.87 0.84 0.82 1.61 -2.85 -0.02 -5.11 119.74 113.17 2k20 s LYS 78 Ca 0.32 0.08 -0.14 0.00 -1.00 0.00 0.00 55.97 55.23 2k20 s LYS 78 Cb 0.26 0.39 0.01 0.00 -2.06 0.00 0.00 37.83 36.44 2k20 s LYS 78 CO 0.07 -0.29 0.58 0.00 0.10 0.00 0.00 175.35 175.81 2k20 n ALA 79 N 0.59 -1.71 -0.14 0.59 0.00 -1.26 -4.52 120.51 114.06 2k20 n ALA 79 Ca -0.14 -0.40 -0.04 0.00 0.00 0.00 0.00 53.44 52.87 2k20 n ALA 79 Cb 0.59 -1.89 0.05 0.00 0.00 0.00 0.00 19.45 18.19 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 -0.90 -0.02 -0.98 0.00 7.08 -1.90 0.65 115.58 119.51 2k20 h ASN 80 Ca -0.45 0.08 0.00 0.00 -3.08 0.00 0.00 56.30 52.86 2k20 h ASN 80 Cb 1.32 0.12 -0.05 0.00 -2.08 0.00 0.00 38.32 37.62 2k20 h ASN 80 CO 0.40 0.02 0.62 0.06 -2.08 0.00 0.00 177.43 176.46 2k20 h GLN 81 N 0.21 1.31 -0.16 4.14 -0.00 -1.95 0.16 115.11 118.82 2k20 h GLN 81 Ca 0.22 -0.10 -0.13 0.00 -0.00 0.00 0.00 58.65 58.64 2k20 h GLN 81 Cb 0.28 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.48 27.47 2k20 h GLN 81 CO -0.30 0.89 -0.47 0.93 -0.00 0.00 0.00 178.83 179.89 2k20 h GLU 82 N 1.34 0.40 0.04 0.06 4.39 -1.57 -1.72 114.58 117.52 2k20 h GLU 82 Ca 0.36 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 2k20 h GLU 82 Cb -0.11 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 2k20 h GLU 82 CO -0.07 0.79 -0.02 0.00 -1.16 0.00 0.00 179.01 178.54 2k20 h ALA 83 N 1.18 -0.06 -0.05 3.43 0.00 0.13 0.82 119.26 124.71 2k20 h ALA 83 Ca 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2k20 h ALA 83 Cb 0.95 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2k20 h ALA 83 CO 0.08 -0.37 -0.00 0.00 0.00 0.00 0.00 179.25 178.96 2k20 h MET 84 N -0.38 0.06 0.07 0.00 -0.00 -0.69 0.15 114.93 114.15 2k20 h MET 84 Ca -0.01 -0.01 -0.24 0.00 -0.00 0.00 0.00 59.70 59.45 2k20 h MET 84 Cb 0.35 -0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 31.92 2k20 h MET 84 CO 0.01 0.08 -1.11 1.49 -0.00 0.00 0.00 176.91 177.37 2k20 h GLU 85 N 0.07 0.17 -0.28 -0.10 4.57 -1.01 -1.72 114.58 116.27 2k20 h GLU 85 Ca 0.02 -0.27 -0.11 0.00 -1.18 0.00 0.00 59.36 57.82 2k20 h GLU 85 Cb 0.05 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 2k20 h GLU 85 CO 0.00 1.11 -0.29 1.15 -1.18 0.00 0.00 179.01 179.80 2k20 h THR 86 N 0.05 1.28 0.07 0.32 2.02 0.24 -0.82 112.91 116.07 2k20 h THR 86 Ca -0.08 -1.38 -0.24 0.00 0.77 0.00 0.00 66.41 65.48 2k20 h THR 86 Cb 1.84 1.38 -0.00 0.00 -1.74 0.00 0.00 68.15 69.63 2k20 h THR 86 CO 0.17 0.44 -1.09 0.17 0.37 0.00 0.00 175.52 175.58 2k20 h LEU 87 N 0.50 0.39 0.22 2.58 8.10 -0.81 -1.13 115.31 125.14 2k20 h LEU 87 Ca 0.06 -0.37 -0.01 0.00 0.11 0.00 0.00 57.88 57.68 2k20 h LEU 87 Cb 0.76 -0.12 0.00 0.00 -0.44 0.00 0.00 40.66 40.86 2k20 h LEU 87 CO 0.06 1.23 -0.10 -0.09 -4.11 0.00 0.00 178.44 175.43 2k20 h ARG 88 N 0.11 -0.28 -0.08 0.17 2.43 -1.03 0.97 114.38 116.66 2k20 h ARG 88 Ca -0.10 0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 58.93 2k20 h ARG 88 Cb 1.78 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 31.38 2k20 h ARG 88 CO 0.18 -0.18 -0.65 -0.09 -1.51 0.00 0.00 179.97 177.72 2k20 h ARG 89 N -0.30 0.33 0.00 0.20 1.12 -1.24 0.25 114.38 114.74 2k20 h ARG 89 Ca -0.03 -0.24 -0.12 0.00 -1.11 0.00 0.00 59.98 58.48 2k20 h ARG 89 Cb 0.23 0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 30.22 2k20 h ARG 89 CO 0.05 0.86 -0.58 1.03 -3.11 0.00 0.00 179.97 178.22 2k20 h SER 90 N 0.24 0.00 0.80 -3.80 0.87 -0.98 -0.74 113.55 109.94 2k20 h SER 90 Ca -0.01 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.40 2k20 h SER 90 Cb 1.18 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.12 2k20 h SER 90 CO 0.11 0.58 -1.29 0.00 -0.53 0.00 0.00 176.83 175.70 2k20 h MET 91 N 0.00 0.00 -0.38 2.24 -0.00 0.11 0.53 114.93 117.43 2k20 h MET 91 Ca -0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.60 2k20 h MET 91 Cb 1.03 0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 32.57 2k20 h MET 91 CO 0.08 0.28 0.04 0.45 -0.00 0.00 0.00 176.91 177.75 2k20 n SER 92 N -2.90 3.76 0.00 -0.10 2.88 0.85 -3.24 113.62 114.87 2k20 n SER 92 Ca -0.08 -3.24 0.00 0.00 -1.33 0.00 0.00 58.87 54.22 2k20 n SER 92 Cb 0.80 -0.61 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 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 -0.58 0.00 -0.02 2.46 5.66 -0.30 -4.93 114.28 116.57 2k20 n THR 93 Ca 0.28 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 61.25 2k20 n THR 93 Cb 1.04 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.80 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 -1.12 0.19 -0.19 1.09 1.02 -0.96 -4.24 120.64 116.43 2k20 n GLU 94 Ca 0.00 0.07 0.19 0.00 -0.02 0.00 0.00 57.16 57.41 2k20 n GLU 94 Cb 0.00 -0.75 0.55 0.00 -0.02 0.00 0.00 31.44 31.23 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 0.63 1.59 0.62 0.00 -0.16 0.14 103.07 105.53 2k20 h GLY 95 Ca 0.00 -0.14 -0.14 0.00 0.00 0.00 0.00 47.33 47.05 2k20 h GLY 95 CO 0.00 0.02 -0.50 -0.57 0.00 0.00 0.00 176.54 175.49 2k20 h ASN 96 N 0.32 0.48 -0.91 0.19 -0.00 -1.76 0.17 115.58 114.07 2k20 h ASN 96 Ca 0.41 -0.24 0.24 0.00 -0.00 0.00 0.00 56.30 56.71 2k20 h ASN 96 Cb 1.11 -0.14 -0.17 0.00 -0.00 0.00 0.00 38.32 39.13 2k20 h ASN 96 CO -0.12 0.90 -0.03 0.29 -0.00 0.00 0.00 177.43 178.46 2k20 n LYS 97 N -3.97 -0.07 0.03 6.67 5.02 0.49 0.95 118.16 127.27 2k20 n LYS 97 Ca -0.02 1.38 0.01 0.00 -2.02 0.00 0.00 58.31 57.65 2k20 n LYS 97 Cb 0.56 -2.16 -0.09 0.00 -0.02 0.00 0.00 35.03 33.32 2k20 n LYS 97 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2k20 n ARG 98 N -5.37 0.63 0.00 1.97 0.00 -1.22 -4.97 116.66 107.70 2k20 n ARG 98 Ca 0.20 0.18 0.00 0.00 -0.00 0.00 0.00 57.85 58.23 2k20 n ARG 98 Cb 0.65 -1.78 0.00 0.00 -0.00 0.00 0.00 32.46 31.34 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 1.11 3.57 2.89 0.00 0.27 -5.06 105.19 109.37 2k20 n GLY 99 Ca -0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.05 0.89 -0.02 1.61 0.00 0.58 -0.94 119.30 121.36 2k20 s MET 100 Ca 0.00 0.72 0.04 0.00 0.00 0.00 0.00 55.69 56.45 2k20 s MET 100 Cb 0.00 0.43 -0.03 0.00 0.00 0.00 0.00 34.83 35.23 2k20 s MET 100 CO 0.00 -0.17 -0.14 -1.50 0.00 0.00 0.00 175.02 173.20 2k20 s ILE 101 N -0.17 3.05 -0.05 3.16 2.07 0.53 -4.47 121.20 125.33 2k20 s ILE 101 Ca -0.04 -0.83 -0.23 0.00 -1.41 0.00 0.00 60.65 58.14 2k20 s ILE 101 Cb -0.03 -2.22 -0.04 0.00 0.13 0.00 0.00 42.46 40.29 2k20 s ILE 101 CO 0.04 0.52 0.68 0.00 -1.91 0.00 0.00 174.94 174.27 2k20 s GLN 102 N -0.94 4.43 -0.09 3.50 1.03 -1.26 0.14 119.66 126.46 2k20 s GLN 102 Ca 0.13 0.86 0.03 0.00 0.04 0.00 0.00 55.36 56.42 2k20 s GLN 102 Cb -0.11 -3.42 -0.02 0.00 0.03 0.00 0.00 33.01 29.49 2k20 s GLN 102 CO 0.02 0.13 -0.17 -0.51 -2.54 0.00 0.00 175.29 172.22 2k20 s LEU 103 N 0.57 2.53 -0.25 2.60 2.01 0.15 -0.76 118.68 125.52 2k20 s LEU 103 Ca 0.36 -0.34 0.01 0.00 0.01 0.00 0.00 54.13 54.17 2k20 s LEU 103 Cb -0.18 -1.52 0.05 0.00 0.01 0.00 0.00 46.19 44.54 2k20 s LEU 103 CO 0.18 0.24 -0.09 -0.63 1.01 0.00 0.00 176.35 177.06 2k20 s ILE 104 N -0.11 2.44 0.48 -0.59 1.01 -0.76 0.14 121.20 123.81 2k20 s ILE 104 Ca -0.03 -1.36 0.02 0.00 0.00 0.00 0.00 60.65 59.28 2k20 s ILE 104 Cb -0.14 -2.33 -0.02 0.00 0.01 0.00 0.00 42.46 39.98 2k20 s ILE 104 CO 0.04 0.09 0.02 0.68 0.00 0.00 0.00 174.94 175.77 2k20 s VAL 105 N 1.20 1.18 -0.10 2.92 -7.23 -0.13 -0.42 120.40 117.82 2k20 s VAL 105 Ca -0.04 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.04 2k20 s VAL 105 Cb -0.18 -2.30 0.03 0.00 0.56 0.00 0.00 36.38 34.49 2k20 s VAL 105 CO -0.05 0.00 0.26 0.00 -0.31 0.00 0.00 175.10 175.00 2k20 s ALA 106 N -2.91 -0.65 0.35 1.32 0.00 0.26 0.19 121.76 120.32 2k20 s ALA 106 Ca 0.12 0.77 -0.11 0.00 0.00 0.00 0.00 51.96 52.73 2k20 s ALA 106 Cb 0.03 -0.45 0.03 0.00 0.00 0.00 0.00 23.12 22.73 2k20 s ALA 106 CO 0.06 -0.13 0.65 -0.98 0.00 0.00 0.00 175.76 175.36 2k20 s ARG 107 N 0.23 2.02 -0.17 0.00 1.04 -0.86 -1.65 118.95 119.57 2k20 s ARG 107 Ca -0.01 -1.49 -0.16 0.00 -1.04 0.00 0.00 55.73 53.04 2k20 s ARG 107 Cb -0.03 0.55 -0.04 0.00 -2.04 0.00 0.00 34.95 33.39 2k20 s ARG 107 CO -0.00 -0.90 0.38 1.03 -0.04 0.00 0.00 175.30 175.76 2k20 s ARG 108 N -2.87 4.24 0.19 3.89 0.52 -1.26 -1.46 118.95 122.20 2k20 s ARG 108 Ca 0.21 0.22 -0.10 0.00 -0.52 0.00 0.00 55.73 55.54 2k20 s ARG 108 Cb -0.03 -3.48 0.10 0.00 0.52 0.00 0.00 34.95 32.06 2k20 s ARG 108 CO 0.14 0.10 1.72 0.82 0.02 0.00 0.00 175.30 178.09 2k20 h ILE 109 N 4.85 1.25 0.00 1.52 2.04 -1.46 -3.48 117.51 122.24 2k20 h ILE 109 Ca -0.39 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 64.60 2k20 h ILE 109 Cb 1.17 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 2k20 h ILE 109 CO 0.74 0.34 0.00 -0.24 0.00 0.00 0.00 178.15 178.99