#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k20 s THR 8 N 0.00 -0.36 -0.21 2.61 -4.23 -1.26 -4.99 115.64 107.20 2k20 s THR 8 Ca 0.00 -1.16 -0.04 0.00 -1.18 0.00 0.00 61.69 59.31 2k20 s THR 8 Cb 0.00 -0.62 0.11 0.00 1.34 0.00 0.00 72.50 73.32 2k20 s THR 8 CO 0.00 -0.57 0.36 -0.13 -0.54 0.00 0.00 174.62 173.74 2k20 s ARG 9 N 1.19 0.30 -0.21 3.99 0.52 -1.26 -3.34 118.95 120.14 2k20 s ARG 9 Ca 0.21 0.70 -0.04 0.00 -0.52 0.00 0.00 55.73 56.08 2k20 s ARG 9 Cb -0.10 -0.20 -0.01 0.00 0.52 0.00 0.00 34.95 35.15 2k20 s ARG 9 CO -0.05 -0.47 -0.03 -1.83 0.02 0.00 0.00 175.30 172.94 2k20 s GLU 10 N 2.54 3.46 0.37 3.54 -1.05 -0.29 -4.93 118.70 122.33 2k20 s GLU 10 Ca 0.06 -0.59 -0.25 0.00 -0.15 0.00 0.00 54.97 54.03 2k20 s GLU 10 Cb -0.14 -3.01 -0.09 0.00 -0.44 0.00 0.00 34.13 30.45 2k20 s GLU 10 CO -0.14 -0.10 1.06 -0.06 0.95 0.00 0.00 175.26 176.98 2k20 s PHE 11 N 1.24 3.35 -0.21 4.83 0.40 -1.26 -1.72 117.98 124.61 2k20 s PHE 11 Ca 0.03 1.66 -0.04 0.00 -0.60 0.00 0.00 56.93 57.98 2k20 s PHE 11 Cb -0.14 -3.17 0.10 0.00 0.51 0.00 0.00 43.02 40.31 2k20 s PHE 11 CO -0.01 -0.61 0.23 -0.51 0.70 0.00 0.00 175.22 175.02 2k20 s LEU 12 N -2.33 -0.13 0.25 -0.37 1.43 0.11 -4.95 118.68 112.68 2k20 s LEU 12 Ca 0.54 -0.21 -0.28 0.00 -1.03 0.00 0.00 54.13 53.16 2k20 s LEU 12 Cb -0.25 0.42 -0.09 0.00 0.03 0.00 0.00 46.19 46.30 2k20 s LEU 12 CO 0.31 -0.33 0.90 -0.89 0.23 0.00 0.00 176.35 176.57 2k20 s THR 13 N 2.34 4.19 0.26 5.49 2.01 -1.26 -0.10 115.64 128.56 2k20 s THR 13 Ca 0.07 1.90 0.02 0.00 0.31 0.00 0.00 61.69 63.99 2k20 s THR 13 Cb -0.16 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 2k20 s THR 13 CO -0.13 0.39 0.13 -0.36 -0.69 0.00 0.00 174.62 173.97 2k20 s PHE 14 N -1.31 1.48 -0.27 4.92 0.08 0.36 -4.91 117.98 118.34 2k20 s PHE 14 Ca 0.43 -1.31 -0.03 0.00 0.12 0.00 0.00 56.93 56.14 2k20 s PHE 14 Cb -0.23 -0.80 0.11 0.00 -0.57 0.00 0.00 43.02 41.53 2k20 s PHE 14 CO 0.28 -0.49 0.19 -1.21 -0.10 0.00 0.00 175.22 173.90 2k20 s GLU 15 N -3.97 0.22 -0.42 0.44 8.01 -1.26 0.22 118.70 121.94 2k20 s GLU 15 Ca 0.37 -0.26 -0.11 0.00 0.01 0.00 0.00 54.97 54.98 2k20 s GLU 15 Cb 0.06 -1.06 0.06 0.00 -4.31 0.00 0.00 34.13 28.88 2k20 s GLU 15 CO 0.15 -0.94 0.27 0.08 0.01 0.00 0.00 175.26 174.83 2k20 s VAL 16 N 2.22 4.58 -0.03 2.63 1.01 0.79 -4.89 120.40 126.71 2k20 s VAL 16 Ca 0.08 -1.14 -0.30 0.00 0.00 0.00 0.00 61.98 60.63 2k20 s VAL 16 Cb -0.15 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 2k20 s VAL 16 CO -0.30 -0.43 1.08 -2.84 0.00 0.00 0.00 175.10 172.61 2k20 s PRO 17 N 1.52 4.45 -0.14 2.72 0.02 -1.26 -0.87 135.00 141.44 2k20 s PRO 17 Ca 0.03 1.53 0.15 0.00 0.02 0.00 0.00 61.00 62.73 2k20 s PRO 17 Cb -0.22 -3.48 0.40 0.00 0.02 0.00 0.00 34.50 31.22 2k20 s PRO 17 CO 0.05 -0.25 1.19 1.47 -0.33 0.00 0.00 177.00 179.13 2k20 n LEU 18 N 4.50 2.16 -0.56 -5.54 -0.00 0.11 -4.52 117.00 113.14 2k20 n LEU 18 Ca 0.08 -3.27 0.45 0.00 -0.00 0.00 0.00 56.01 53.28 2k20 n LEU 18 Cb 0.48 -0.37 0.72 0.00 -0.00 0.00 0.00 43.42 44.25 2k20 n LEU 18 CO 0.53 1.09 1.29 -0.46 -0.00 0.00 0.00 177.39 179.84 2k20 n ASN 19 N -0.69 0.10 -0.06 1.45 2.04 -1.16 0.15 115.26 117.08 2k20 n ASN 19 Ca 0.15 1.14 -0.07 0.00 -0.44 0.00 0.00 54.58 55.36 2k20 n ASN 19 Cb 0.81 -0.57 -0.08 0.00 -2.53 0.00 0.00 39.78 37.41 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 -4.24 2.48 0.00 0.53 8.00 -1.26 -4.43 116.55 117.63 2k20 n ASP 20 Ca 0.41 -0.03 0.07 0.00 0.71 0.00 0.00 54.79 55.94 2k20 n ASP 20 Cb 1.71 0.37 0.31 0.00 -0.02 0.00 0.00 41.12 43.50 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 -2.63 0.00 -0.59 -2.24 2.88 0.89 -3.55 113.62 108.39 2k20 n SER 21 Ca -0.21 0.34 0.47 0.00 -1.33 0.00 0.00 58.87 58.14 2k20 n SER 21 Cb 0.83 -0.42 0.79 0.00 -0.75 0.00 0.00 64.21 64.67 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 2.33 0.11 1.08 0.46 0.00 0.11 1.04 103.07 108.20 2k20 h GLY 22 Ca 0.00 -0.01 -0.35 0.00 0.00 0.00 0.00 47.33 46.97 2k20 h GLY 22 CO 0.00 -0.03 -1.63 1.48 0.00 0.00 0.00 176.54 176.35 2k20 h SER 23 N 0.01 0.74 0.31 0.19 4.64 -1.84 -3.27 113.55 114.32 2k20 h SER 23 Ca 0.83 -0.93 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 2k20 h SER 23 Cb 3.28 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 65.13 2k20 h SER 23 CO -0.04 1.76 0.00 0.00 -0.87 0.00 0.00 176.83 177.68 2k20 n ALA 24 N -2.80 2.49 0.00 5.18 0.00 0.31 -4.91 120.51 120.78 2k20 n ALA 24 Ca -0.21 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.07 2k20 n ALA 24 Cb 1.09 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 2.32 0.00 0.00 0.00 0.14 -3.88 105.19 104.78 2k20 n GLY 25 Ca 0.17 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -4.62 117.00 120.07 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 -0.30 1.90 3.25 -3.96 0.00 -1.25 0.15 105.19 104.98 2k20 n GLY 27 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.08 -0.27 1.61 -7.23 -1.26 0.15 120.40 111.48 2k20 s VAL 28 Ca 0.00 -0.63 -0.05 0.00 -1.81 0.00 0.00 61.98 59.49 2k20 s VAL 28 Cb 0.00 -0.88 0.01 0.00 0.56 0.00 0.00 36.38 36.07 2k20 s VAL 28 CO 0.00 -0.35 0.02 -0.44 -0.31 0.00 0.00 175.10 174.02 2k20 s SER 29 N -1.93 4.76 -0.04 4.85 0.01 0.69 -4.88 113.70 117.17 2k20 s SER 29 Ca -0.06 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 56.48 2k20 s SER 29 Cb -0.02 -1.79 -0.03 0.00 0.21 0.00 0.00 66.02 64.39 2k20 s SER 29 CO -0.02 -0.15 -0.02 0.68 0.41 0.00 0.00 173.24 174.15 2k20 s VAL 30 N 1.44 4.09 -0.08 3.43 -7.23 -1.26 0.16 120.40 120.95 2k20 s VAL 30 Ca 0.02 -0.48 -0.04 0.00 -1.81 0.00 0.00 61.98 59.67 2k20 s VAL 30 Cb -0.17 -2.76 0.04 0.00 0.56 0.00 0.00 36.38 34.05 2k20 s VAL 30 CO -0.00 0.49 0.18 -1.59 -0.31 0.00 0.00 175.10 173.86 2k20 s LYS 31 N -1.21 0.14 0.35 4.82 0.00 -0.94 -4.87 119.74 118.03 2k20 s LYS 31 Ca 0.16 0.41 -0.03 0.00 0.00 0.00 0.00 55.97 56.51 2k20 s LYS 31 Cb -0.11 -0.13 -0.04 0.00 0.00 0.00 0.00 37.83 37.55 2k20 s LYS 31 CO 0.06 -0.15 0.60 0.20 0.00 0.00 0.00 175.35 176.06 2k20 s GLY 32 N 1.08 1.58 0.36 0.59 0.00 -1.26 -1.84 107.32 107.84 2k20 s GLY 32 Ca -0.08 -0.68 0.01 0.00 0.00 0.00 0.00 44.72 43.97 2k20 s GLY 32 CO -0.06 -0.58 0.07 0.70 0.00 0.00 0.00 173.10 173.23 2k20 n ASN 33 N -1.54 2.79 -4.02 1.64 5.03 -0.85 -4.97 115.26 113.34 2k20 n ASN 33 Ca -0.02 -2.50 -0.09 0.00 0.87 0.00 0.00 54.58 52.83 2k20 n ASN 33 Cb 0.55 0.18 -0.11 0.00 -1.02 0.00 0.00 39.78 39.38 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 -3.36 0.42 0.35 3.52 0.52 -1.26 0.07 118.95 119.20 2k20 s ARG 34 Ca 0.06 -0.77 -0.28 0.00 -0.52 0.00 0.00 55.73 54.22 2k20 s ARG 34 Cb -0.00 0.05 -0.12 0.00 0.52 0.00 0.00 34.95 35.40 2k20 s ARG 34 CO 0.04 -0.04 1.37 0.43 0.02 0.00 0.00 175.30 177.12 2k20 n SER 35 N 1.25 3.15 0.23 0.23 7.64 0.30 -4.76 113.62 121.66 2k20 n SER 35 Ca -0.22 1.21 0.06 0.00 1.01 0.00 0.00 58.87 60.93 2k20 n SER 35 Cb 0.56 -1.53 0.52 0.00 -1.01 0.00 0.00 64.21 62.75 2k20 n SER 35 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2k20 h LYS 36 N 2.87 0.00 0.00 1.43 3.64 -2.00 -3.32 116.57 119.18 2k20 h LYS 36 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2k20 h LYS 36 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 2k20 h LYS 36 CO 0.64 0.19 0.00 0.39 -2.27 0.00 0.00 179.45 178.41 2k20 n GLU 37 N -4.19 0.00 -2.04 1.90 -0.58 -1.26 -5.01 120.64 109.46 2k20 n GLU 37 Ca -0.02 0.39 -0.10 0.00 -0.42 0.00 0.00 57.16 57.00 2k20 n GLU 37 Cb 0.26 -0.88 0.03 0.00 -0.57 0.00 0.00 31.44 30.28 2k20 n GLU 37 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2k20 n ASN 38 N -2.04 1.12 -2.38 1.62 0.23 -1.25 -5.00 115.26 107.55 2k20 n ASN 38 Ca 0.00 -1.78 -0.28 0.00 -0.53 0.00 0.00 54.58 51.99 2k20 n ASN 38 Cb 0.00 -0.20 0.01 0.00 -2.08 0.00 0.00 39.78 37.51 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 -1.59 2.10 -3.21 -2.53 8.25 -1.26 -3.58 115.22 113.39 2k20 n HIS 39 Ca 0.07 -2.20 -0.42 0.00 -0.26 0.00 0.00 57.72 54.92 2k20 n HIS 39 Cb 0.30 -1.25 -0.08 0.00 1.12 0.00 0.00 29.99 30.09 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 -2.52 3.46 0.22 -1.41 0.00 -1.26 -4.82 121.76 115.43 2k20 s ALA 40 Ca 0.51 -1.02 -0.32 0.00 0.00 0.00 0.00 51.96 51.13 2k20 s ALA 40 Cb 0.38 -3.06 -0.13 0.00 0.00 0.00 0.00 23.12 20.30 2k20 s ALA 40 CO -0.16 -1.30 1.51 -0.40 0.00 0.00 0.00 175.76 175.41 2k20 n ASP 41 N 5.82 3.12 -1.35 0.00 5.68 -1.26 0.11 116.55 128.66 2k20 n ASP 41 Ca -0.04 1.12 0.06 0.00 -0.50 0.00 0.00 54.79 55.43 2k20 n ASP 41 Cb 0.49 -1.46 0.28 0.00 -1.14 0.00 0.00 41.12 39.28 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 2.63 3.96 0.00 -2.12 4.77 0.11 -4.80 117.00 121.55 2k20 n LEU 42 Ca 0.13 -2.00 0.00 0.00 -0.03 0.00 0.00 56.01 54.11 2k20 n LEU 42 Cb 0.32 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 2k20 n LEU 42 CO 0.63 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.88 2k20 n GLY 43 N 0.73 -0.69 3.72 -0.72 0.00 -1.26 -4.74 105.19 102.22 2k20 n GLY 43 Ca 0.19 -1.74 -0.35 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.09 4.81 0.08 -0.61 -0.00 -1.26 -2.00 121.20 121.13 2k20 s ILE 44 Ca 0.00 -0.05 0.08 0.00 -0.00 0.00 0.00 60.65 60.69 2k20 s ILE 44 Cb 0.00 -3.10 -0.03 0.00 -0.00 0.00 0.00 42.46 39.33 2k20 s ILE 44 CO 0.00 0.56 -0.22 -0.36 -0.00 0.00 0.00 174.94 174.92 2k20 s PHE 45 N -0.46 1.89 -0.39 1.37 0.40 -0.77 0.49 117.98 120.52 2k20 s PHE 45 Ca 0.10 -0.40 -0.28 0.00 -0.60 0.00 0.00 56.93 55.75 2k20 s PHE 45 Cb -0.12 -1.08 -0.07 0.00 0.51 0.00 0.00 43.02 42.26 2k20 s PHE 45 CO 0.02 0.18 2.33 0.28 0.70 0.00 0.00 175.22 178.73 2k20 n VAL 46 N 1.39 0.12 0.04 -0.44 0.31 -0.52 -2.22 118.33 116.99 2k20 n VAL 46 Ca -0.18 -0.59 -0.20 0.00 -0.01 0.00 0.00 64.34 63.36 2k20 n VAL 46 Cb 0.53 -2.51 -0.11 0.00 -0.91 0.00 0.00 33.84 30.84 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 16.84 0.67 -0.85 5.55 1.63 0.13 0.91 116.57 141.44 2k20 h LYS 47 Ca -0.30 -0.72 0.17 0.00 -0.85 0.00 0.00 60.65 58.95 2k20 h LYS 47 Cb 1.26 0.20 -0.22 0.00 -0.60 0.00 0.00 32.23 32.87 2k20 h LYS 47 CO 1.07 1.30 0.09 0.45 -3.45 0.00 0.00 179.45 178.92 2k20 s SER 48 N -7.22 -0.71 -0.26 4.20 0.15 -0.85 -4.82 113.70 104.19 2k20 s SER 48 Ca -0.10 0.69 -0.28 0.00 0.70 0.00 0.00 55.95 56.96 2k20 s SER 48 Cb 0.06 1.70 0.01 0.00 -1.71 0.00 0.00 66.02 66.08 2k20 s SER 48 CO 0.91 -0.13 1.00 -0.63 1.20 0.00 0.00 173.24 175.58 2k20 s ILE 49 N 2.71 4.66 -0.38 6.45 1.01 -1.26 -0.22 121.20 134.17 2k20 s ILE 49 Ca 0.02 1.81 -0.27 0.00 0.00 0.00 0.00 60.65 62.20 2k20 s ILE 49 Cb -0.09 -4.30 -0.07 0.00 0.01 0.00 0.00 42.46 38.01 2k20 s ILE 49 CO -0.16 -0.25 2.33 -0.38 0.00 0.00 0.00 174.94 176.48 2k20 n ILE 50 N 5.48 0.11 -1.34 2.92 -0.00 0.40 -4.81 119.36 122.12 2k20 n ILE 50 Ca 0.10 -0.61 -0.29 0.00 -0.00 0.00 0.00 62.75 61.95 2k20 n ILE 50 Cb 0.47 -2.60 -0.10 0.00 -0.00 0.00 0.00 39.64 37.41 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 13.71 1.77 0.00 4.38 6.94 -1.26 -1.19 115.26 139.61 2k20 n ASN 51 Ca 0.35 -2.56 0.00 0.00 -0.02 0.00 0.00 54.58 52.35 2k20 n ASN 51 Cb 0.48 -1.33 0.00 0.00 -2.36 0.00 0.00 39.78 36.57 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 5.55 0.38 0.01 4.83 0.00 -1.26 -5.07 105.19 109.63 2k20 n GLY 52 Ca 0.45 0.00 -0.00 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 -2.55 0.27 -0.02 0.00 -0.34 -4.71 105.19 97.84 2k20 n GLY 53 Ca 0.00 -1.43 -0.11 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.00 0.71 -0.23 4.61 0.00 0.12 -1.92 119.26 120.53 2k20 h ALA 54 Ca -0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 2k20 h ALA 54 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2k20 h ALA 54 CO 0.00 0.67 0.01 0.00 0.00 0.00 0.00 179.25 179.93 2k20 h ALA 55 N 0.90 0.31 -0.43 0.00 0.00 0.64 -1.27 119.26 119.41 2k20 h ALA 55 Ca 0.09 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2k20 h ALA 55 Cb 0.85 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2k20 h ALA 55 CO 0.07 0.02 0.09 0.66 0.00 0.00 0.00 179.25 180.09 2k20 h SER 56 N 0.18 0.60 0.14 0.00 4.64 -1.71 -1.81 113.55 115.59 2k20 h SER 56 Ca 0.07 -0.10 -0.08 0.00 -0.47 0.00 0.00 61.79 61.21 2k20 h SER 56 Cb 0.39 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 2k20 h SER 56 CO 0.01 0.61 -0.27 0.11 -0.87 0.00 0.00 176.83 176.42 2k20 h LYS 57 N 0.63 0.23 -0.30 4.77 1.57 -1.09 -2.41 116.57 119.97 2k20 h LYS 57 Ca 0.14 -0.08 0.08 0.00 -1.87 0.00 0.00 60.65 58.92 2k20 h LYS 57 Cb 0.26 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 2k20 h LYS 57 CO -0.00 0.49 0.21 0.22 -0.57 0.00 0.00 179.45 179.80 2k20 h ASP 58 N 0.21 0.03 -2.41 0.86 3.58 -0.32 -3.46 116.42 114.90 2k20 h ASP 58 Ca 0.03 0.00 -0.41 0.00 0.42 0.00 0.00 57.03 57.07 2k20 h ASP 58 Cb 0.60 -0.01 -0.06 0.00 1.72 0.00 0.00 39.33 41.59 2k20 h ASP 58 CO 0.04 0.02 -0.49 0.61 -2.88 0.00 0.00 179.24 176.55 2k20 n GLY 59 N -1.59 0.14 0.00 -0.78 0.00 -0.91 -4.81 105.19 97.24 2k20 n GLY 59 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.82 -0.08 -4.14 1.61 1.85 -1.26 -5.08 116.66 106.74 2k20 n ARG 60 Ca -0.23 -0.24 -0.28 0.00 -1.00 0.00 0.00 57.85 56.10 2k20 n ARG 60 Cb 0.68 -0.63 -0.07 0.00 -1.05 0.00 0.00 32.46 31.39 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 -0.04 3.48 -0.06 2.89 2.01 -1.26 -5.07 118.68 120.62 2k20 s LEU 61 Ca 0.00 -0.23 -0.13 0.00 0.01 0.00 0.00 54.13 53.77 2k20 s LEU 61 Cb 0.00 -2.17 0.03 0.00 0.01 0.00 0.00 46.19 44.06 2k20 s LEU 61 CO 0.00 0.13 0.32 0.00 1.01 0.00 0.00 176.35 177.81 2k20 s ARG 62 N -2.63 0.54 0.44 1.70 3.03 -1.26 -4.98 118.95 115.79 2k20 s ARG 62 Ca 0.27 0.10 -0.24 0.00 2.03 0.00 0.00 55.73 57.90 2k20 s ARG 62 Cb -0.11 0.25 -0.10 0.00 -1.03 0.00 0.00 34.95 33.96 2k20 s ARG 62 CO 0.19 -0.12 1.00 0.28 -1.13 0.00 0.00 175.30 175.52 2k20 n VAL 63 N 2.01 2.54 0.00 4.99 0.31 -1.26 -2.17 118.33 124.74 2k20 n VAL 63 Ca -0.18 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.65 2k20 n VAL 63 Cb 0.57 -1.16 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 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 0.40 0.00 -4.60 4.52 3.02 0.31 -4.89 115.26 114.02 2k20 n ASN 64 Ca 0.10 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.22 2k20 n ASN 64 Cb 0.40 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.54 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 -1.98 5.49 -0.39 6.41 1.01 -0.92 -4.46 116.67 121.83 2k20 s ASP 65 Ca 0.00 1.82 -0.29 0.00 0.71 0.00 0.00 52.55 54.79 2k20 s ASP 65 Cb 0.00 -2.51 0.01 0.00 1.01 0.00 0.00 42.92 41.43 2k20 s ASP 65 CO 0.00 -1.94 1.38 -1.58 0.21 0.00 0.00 175.17 173.23 2k20 s GLN 66 N 6.30 3.66 0.32 8.23 -0.44 -0.71 -1.44 119.66 135.57 2k20 s GLN 66 Ca 0.98 1.00 -0.29 0.00 -2.50 0.00 0.00 55.36 54.55 2k20 s GLN 66 Cb -0.32 -3.99 -0.11 0.00 -1.64 0.00 0.00 33.01 26.95 2k20 s GLN 66 CO 0.35 -1.46 1.54 -0.51 0.50 0.00 0.00 175.29 175.71 2k20 s LEU 67 N 5.15 4.34 -0.00 3.68 1.43 0.18 -0.01 118.68 133.45 2k20 s LEU 67 Ca 0.60 2.96 0.00 0.00 -1.03 0.00 0.00 54.13 56.66 2k20 s LEU 67 Cb -0.14 -3.65 -0.00 0.00 0.03 0.00 0.00 46.19 42.43 2k20 s LEU 67 CO 0.30 -0.88 -0.00 -0.38 0.23 0.00 0.00 176.35 175.63 2k20 n ILE 68 N 1.54 0.01 -3.66 -0.59 5.41 0.34 -4.51 119.36 117.90 2k20 n ILE 68 Ca 0.05 -0.01 -0.14 0.00 1.00 0.00 0.00 62.75 63.65 2k20 n ILE 68 Cb 0.38 -0.76 -0.08 0.00 -0.71 0.00 0.00 39.64 38.47 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 -2.00 -1.36 -0.04 -1.39 0.00 -0.85 -0.24 121.76 115.89 2k20 s ALA 69 Ca -0.00 1.30 0.02 0.00 0.00 0.00 0.00 51.96 53.28 2k20 s ALA 69 Cb 0.00 -0.55 0.01 0.00 0.00 0.00 0.00 23.12 22.59 2k20 s ALA 69 CO 0.01 -0.28 -0.07 0.54 0.00 0.00 0.00 175.76 175.95 2k20 s VAL 70 N -0.30 0.69 -1.78 0.00 0.11 -0.79 -0.34 120.40 117.98 2k20 s VAL 70 Ca -0.05 -0.25 0.00 0.00 -2.93 0.00 0.00 61.98 58.76 2k20 s VAL 70 Cb -0.03 -0.66 0.00 0.00 -1.53 0.00 0.00 36.38 34.16 2k20 s VAL 70 CO 0.03 0.24 0.00 0.59 -3.33 0.00 0.00 175.10 172.64 2k20 n ASN 71 N 3.73 -5.42 -0.15 3.54 3.02 -0.25 -1.40 115.26 118.34 2k20 n ASN 71 Ca -0.23 0.17 -0.02 0.00 -0.03 0.00 0.00 54.58 54.48 2k20 n ASN 71 Cb 0.52 -4.51 -0.00 0.00 -0.61 0.00 0.00 39.78 35.18 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 -0.87 0.42 2.80 7.41 0.00 -1.26 -4.93 105.19 108.76 2k20 n GLY 72 Ca -0.21 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.00 0.96 0.38 1.61 2.02 -0.49 -5.12 118.70 115.07 2k20 s GLU 73 Ca 0.00 -1.02 -0.27 0.00 0.02 0.00 0.00 54.97 53.70 2k20 s GLU 73 Cb 0.00 -2.25 -0.11 0.00 0.10 0.00 0.00 34.13 31.87 2k20 s GLU 73 CO 0.00 -0.84 1.34 0.45 0.02 0.00 0.00 175.26 176.23 2k20 n SER 74 N 4.79 2.95 -1.03 -0.19 2.88 -1.26 -1.89 113.62 119.87 2k20 n SER 74 Ca -0.05 1.17 0.11 0.00 -1.33 0.00 0.00 58.87 58.78 2k20 n SER 74 Cb 0.43 -1.53 0.16 0.00 -0.75 0.00 0.00 64.21 62.53 2k20 n SER 74 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2k20 n LEU 75 N 0.44 3.20 0.18 2.46 4.77 0.67 -4.35 117.00 124.37 2k20 n LEU 75 Ca 0.05 -1.32 0.13 0.00 -0.03 0.00 0.00 56.01 54.84 2k20 n LEU 75 Cb 0.38 -0.15 0.65 0.00 -2.33 0.00 0.00 43.42 41.97 2k20 n LEU 75 CO 0.61 0.64 0.89 0.25 -1.33 0.00 0.00 177.39 178.46 2k20 h LEU 76 N 4.32 0.00 -1.63 2.23 5.85 -1.91 -1.89 115.31 122.27 2k20 h LEU 76 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2k20 h LEU 76 Cb 0.95 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.98 2k20 h LEU 76 CO 0.00 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.71 2k20 n GLY 77 N -0.78 1.26 3.72 3.75 0.00 -1.26 -4.91 105.19 106.96 2k20 n GLY 77 Ca -0.00 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.66 2.07 0.86 1.61 -2.85 -0.71 -5.12 119.74 113.94 2k20 s LYS 78 Ca 0.23 -1.46 -0.12 0.00 -1.00 0.00 0.00 55.97 53.62 2k20 s LYS 78 Cb 0.15 0.57 0.13 0.00 -2.06 0.00 0.00 37.83 36.62 2k20 s LYS 78 CO 0.12 -0.94 1.21 0.00 0.10 0.00 0.00 175.35 175.83 2k20 s ALA 79 N -2.75 2.62 0.08 0.59 0.00 -1.26 -4.77 121.76 116.26 2k20 s ALA 79 Ca 0.19 -1.01 -0.25 0.00 0.00 0.00 0.00 51.96 50.89 2k20 s ALA 79 Cb -0.04 -2.76 -0.16 0.00 0.00 0.00 0.00 23.12 20.16 2k20 s ALA 79 CO 0.13 -1.94 1.71 -2.95 0.00 0.00 0.00 175.76 172.71 2k20 h ASN 80 N -1.21 -0.17 -0.82 0.00 7.08 -1.89 0.84 115.58 119.41 2k20 h ASN 80 Ca -0.44 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 52.77 2k20 h ASN 80 Cb 1.28 0.05 -0.04 0.00 -2.08 0.00 0.00 38.32 37.53 2k20 h ASN 80 CO 0.51 -0.12 0.50 0.06 -2.08 0.00 0.00 177.43 176.31 2k20 h GLN 81 N -0.21 1.11 -0.35 4.14 -0.00 -1.95 0.90 115.11 118.74 2k20 h GLN 81 Ca -0.02 -0.09 -0.17 0.00 -0.00 0.00 0.00 58.65 58.37 2k20 h GLN 81 Cb 0.16 -0.24 -0.00 0.00 -0.00 0.00 0.00 27.48 27.40 2k20 h GLN 81 CO 0.03 0.77 -0.44 0.93 -0.00 0.00 0.00 178.83 180.12 2k20 h GLU 82 N 1.13 0.92 -0.04 0.06 4.39 -1.86 -1.96 114.58 117.23 2k20 h GLU 82 Ca 0.30 -0.52 -0.11 0.00 0.34 0.00 0.00 59.36 59.37 2k20 h GLU 82 Cb -0.06 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2k20 h GLU 82 CO -0.06 1.17 -0.47 0.00 -1.16 0.00 0.00 179.01 178.50 2k20 h ALA 83 N 0.74 1.15 -0.07 3.43 0.00 0.15 -1.39 119.26 123.28 2k20 h ALA 83 Ca 0.05 -0.44 -0.16 0.00 0.00 0.00 0.00 54.91 54.36 2k20 h ALA 83 Cb 1.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2k20 h ALA 83 CO 0.11 0.60 -0.65 1.98 0.00 0.00 0.00 179.25 181.29 2k20 h MET 84 N 0.07 0.27 0.01 0.00 1.85 0.10 -1.80 114.93 115.43 2k20 h MET 84 Ca 0.00 -0.20 -0.19 0.00 -0.61 0.00 0.00 59.70 58.70 2k20 h MET 84 Cb 0.86 0.04 -0.02 0.00 0.43 0.00 0.00 31.60 32.90 2k20 h MET 84 CO 0.06 0.83 -0.92 1.05 -0.40 0.00 0.00 176.91 177.53 2k20 h GLU 85 N 0.20 0.02 -0.20 0.39 4.11 -1.14 -1.41 114.58 116.55 2k20 h GLU 85 Ca -0.01 -0.03 -0.15 0.00 0.07 0.00 0.00 59.36 59.23 2k20 h GLU 85 Cb 1.18 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2k20 h GLU 85 CO 0.10 0.92 -0.50 1.15 0.07 0.00 0.00 179.01 180.75 2k20 h THR 86 N 0.01 1.32 0.08 -1.06 2.02 -1.12 -0.57 112.91 113.59 2k20 h THR 86 Ca -0.02 -1.73 -0.25 0.00 0.77 0.00 0.00 66.41 65.18 2k20 h THR 86 Cb 1.61 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.73 2k20 h THR 86 CO 0.12 0.54 -1.13 0.17 0.37 0.00 0.00 175.52 175.59 2k20 h LEU 87 N 0.43 0.43 0.13 2.58 8.10 -1.33 -0.35 115.31 125.30 2k20 h LEU 87 Ca 0.02 -0.42 -0.01 0.00 0.11 0.00 0.00 57.88 57.59 2k20 h LEU 87 Cb 1.03 -0.14 0.00 0.00 -0.44 0.00 0.00 40.66 41.11 2k20 h LEU 87 CO 0.09 1.28 -0.06 -0.09 -4.11 0.00 0.00 178.44 175.55 2k20 h ARG 88 N 0.11 -0.17 -0.14 0.17 2.43 -1.14 0.39 114.38 116.04 2k20 h ARG 88 Ca -0.11 0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 58.91 2k20 h ARG 88 Cb 1.82 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 31.41 2k20 h ARG 88 CO 0.19 -0.01 -0.60 0.07 -1.51 0.00 0.00 179.97 178.11 2k20 h ARG 89 N -0.30 0.47 -0.31 0.20 -0.00 -1.18 -0.50 114.38 112.76 2k20 h ARG 89 Ca -0.02 -0.32 -0.10 0.00 -0.00 0.00 0.00 59.98 59.54 2k20 h ARG 89 Cb 0.24 0.05 -0.01 0.00 -0.00 0.00 0.00 29.97 30.24 2k20 h ARG 89 CO 0.03 0.93 -0.22 0.77 -0.00 0.00 0.00 179.97 181.48 2k20 h SER 90 N 0.35 0.59 0.97 0.08 0.02 -0.89 0.02 113.55 114.68 2k20 h SER 90 Ca -0.00 -0.20 -0.19 0.00 -0.84 0.00 0.00 61.79 60.56 2k20 h SER 90 Cb 1.14 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.49 2k20 h SER 90 CO 0.11 0.81 -1.09 0.00 -1.14 0.00 0.00 176.83 175.51 2k20 h MET 91 N 0.52 0.00 -0.43 3.45 -0.00 -0.12 1.05 114.93 119.39 2k20 h MET 91 Ca 0.08 0.00 -0.11 0.00 -0.00 0.00 0.00 59.70 59.67 2k20 h MET 91 Cb 0.67 0.00 -0.07 0.00 -0.00 0.00 0.00 31.60 32.20 2k20 h MET 91 CO 0.05 0.64 0.07 0.45 -0.00 0.00 0.00 176.91 178.12 2k20 n SER 92 N -3.17 3.87 0.00 -0.10 2.88 -0.20 -3.25 113.62 113.64 2k20 n SER 92 Ca -0.05 -3.26 0.00 0.00 -1.33 0.00 0.00 58.87 54.23 2k20 n SER 92 Cb 0.89 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 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 -0.54 0.00 0.00 2.46 5.66 -0.02 -4.94 114.28 116.89 2k20 n THR 93 Ca 0.30 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.29 2k20 n THR 93 Cb 1.09 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.86 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 -0.72 0.08 0.06 1.09 1.02 -0.74 -4.34 120.64 117.10 2k20 n GLU 94 Ca 0.00 0.03 0.20 0.00 -0.02 0.00 0.00 57.16 57.37 2k20 n GLU 94 Cb 0.00 -0.47 0.74 0.00 -0.02 0.00 0.00 31.44 31.69 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 -0.16 0.00 1.78 0.62 0.00 0.90 0.14 103.07 106.35 2k20 h GLY 95 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 2k20 h GLY 95 CO 0.00 0.00 -0.97 -0.57 0.00 0.00 0.00 176.54 175.00 2k20 h ASN 96 N 0.00 0.25 -1.00 0.19 -0.00 -1.73 0.57 115.58 113.87 2k20 h ASN 96 Ca 0.21 -0.23 0.39 0.00 -0.00 0.00 0.00 56.30 56.67 2k20 h ASN 96 Cb 0.98 -0.08 -0.17 0.00 -0.00 0.00 0.00 38.32 39.05 2k20 h ASN 96 CO -0.00 1.08 0.55 0.11 -0.00 0.00 0.00 177.43 179.16 2k20 h LYS 97 N 0.08 0.10 0.00 6.67 1.57 -0.91 0.61 116.57 124.69 2k20 h LYS 97 Ca -0.06 -0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 58.53 2k20 h LYS 97 Cb 1.64 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.90 2k20 h LYS 97 CO 0.15 0.07 -2.02 0.54 -0.57 0.00 0.00 179.45 177.62 2k20 n ARG 98 N -5.20 0.66 0.00 3.15 3.00 -1.24 -4.99 116.66 112.05 2k20 n ARG 98 Ca 0.36 -0.03 0.00 0.00 -0.01 0.00 0.00 57.85 58.17 2k20 n ARG 98 Cb 1.19 -1.59 0.00 0.00 0.00 0.00 0.00 32.46 32.06 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 1.49 1.01 3.55 -0.13 0.00 0.21 -5.02 105.19 106.30 2k20 n GLY 99 Ca -0.17 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.13 0.82 -0.07 1.61 0.23 0.20 0.08 119.30 122.03 2k20 s MET 100 Ca 0.00 0.77 0.03 0.00 -1.03 0.00 0.00 55.69 55.46 2k20 s MET 100 Cb 0.00 0.40 -0.02 0.00 -1.53 0.00 0.00 34.83 33.68 2k20 s MET 100 CO 0.00 -0.14 -0.17 -1.50 -2.03 0.00 0.00 175.02 171.19 2k20 s ILE 101 N 0.03 2.80 0.28 3.16 2.07 -0.05 -4.39 121.20 125.10 2k20 s ILE 101 Ca -0.02 -0.80 -0.29 0.00 -1.41 0.00 0.00 60.65 58.13 2k20 s ILE 101 Cb -0.04 -2.10 -0.09 0.00 0.13 0.00 0.00 42.46 40.36 2k20 s ILE 101 CO 0.03 0.57 1.03 0.00 -1.91 0.00 0.00 174.94 174.66 2k20 s GLN 102 N -0.31 4.66 -0.16 3.50 1.03 -1.26 -0.15 119.66 126.97 2k20 s GLN 102 Ca 0.02 1.65 -0.02 0.00 0.04 0.00 0.00 55.36 57.04 2k20 s GLN 102 Cb -0.13 -3.13 0.05 0.00 0.03 0.00 0.00 33.01 29.83 2k20 s GLN 102 CO 0.03 0.28 0.03 -0.51 -2.54 0.00 0.00 175.29 172.57 2k20 s LEU 103 N -1.51 1.02 -0.38 2.60 1.02 0.13 -1.09 118.68 120.47 2k20 s LEU 103 Ca 0.45 -0.63 -0.15 0.00 0.02 0.00 0.00 54.13 53.82 2k20 s LEU 103 Cb -0.28 -0.56 0.00 0.00 0.02 0.00 0.00 46.19 45.37 2k20 s LEU 103 CO 0.36 -0.28 0.34 -0.63 0.02 0.00 0.00 176.35 176.16 2k20 s ILE 104 N 1.89 5.19 0.02 -0.59 1.01 0.54 0.14 121.20 129.40 2k20 s ILE 104 Ca 0.01 -0.28 0.07 0.00 0.00 0.00 0.00 60.65 60.45 2k20 s ILE 104 Cb -0.16 -3.88 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 2k20 s ILE 104 CO -0.07 -0.21 -0.20 0.68 0.00 0.00 0.00 174.94 175.13 2k20 s VAL 105 N 1.91 1.62 -0.19 2.92 -7.23 0.85 0.12 120.40 120.40 2k20 s VAL 105 Ca 0.09 -1.07 -0.04 0.00 -1.81 0.00 0.00 61.98 59.16 2k20 s VAL 105 Cb -0.17 -1.38 -0.02 0.00 0.56 0.00 0.00 36.38 35.36 2k20 s VAL 105 CO 0.12 0.29 -0.04 0.00 -0.31 0.00 0.00 175.10 175.15 2k20 s ALA 106 N -0.68 2.87 0.05 1.32 0.00 0.99 0.08 121.76 126.40 2k20 s ALA 106 Ca 0.07 -1.01 0.06 0.00 0.00 0.00 0.00 51.96 51.09 2k20 s ALA 106 Cb -0.08 -1.61 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 2k20 s ALA 106 CO 0.01 -0.12 -0.12 0.50 0.00 0.00 0.00 175.76 176.03 2k20 s ARG 107 N 0.95 2.22 -0.05 0.00 3.00 -0.70 -1.74 118.95 122.64 2k20 s ARG 107 Ca -0.00 -0.93 -0.30 0.00 -1.00 0.00 0.00 55.73 53.50 2k20 s ARG 107 Cb -0.15 -2.32 -0.04 0.00 0.00 0.00 0.00 34.95 32.45 2k20 s ARG 107 CO 0.01 0.55 1.26 1.03 0.00 0.00 0.00 175.30 178.15 2k20 s ARG 108 N -1.71 4.32 0.29 5.12 3.00 -1.26 -1.14 118.95 127.57 2k20 s ARG 108 Ca 0.18 1.75 0.06 0.00 0.00 0.00 0.00 55.73 57.72 2k20 s ARG 108 Cb -0.11 -3.58 0.43 0.00 0.00 0.00 0.00 34.95 31.69 2k20 s ARG 108 CO 0.09 -0.50 1.69 0.82 0.00 0.00 0.00 175.30 177.39 2k20 h ILE 109 N 5.02 1.31 0.00 1.52 2.04 -1.92 -3.48 117.51 122.00 2k20 h ILE 109 Ca -0.35 -1.55 0.00 0.00 1.00 0.00 0.00 64.86 63.97 2k20 h ILE 109 Cb 1.16 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.93 2k20 h ILE 109 CO 0.89 0.46 0.00 -0.24 0.00 0.00 0.00 178.15 179.27