#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 1.99 -2.53 2.61 -2.24 -1.26 -5.04 114.28 107.81 2k20 n THR 8 Ca 0.00 -3.01 -0.42 0.00 -2.27 0.00 0.00 64.05 58.34 2k20 n THR 8 Cb 0.00 -0.12 -0.03 0.00 -2.10 0.00 0.00 70.33 68.08 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 -2.92 4.39 -0.03 -0.78 0.52 -1.26 -0.92 118.95 117.95 2k20 s ARG 9 Ca 0.37 1.59 0.02 0.00 -0.52 0.00 0.00 55.73 57.19 2k20 s ARG 9 Cb 0.37 -3.53 0.01 0.00 0.52 0.00 0.00 34.95 32.32 2k20 s ARG 9 CO -0.08 -0.38 -0.07 -1.83 0.02 0.00 0.00 175.30 172.97 2k20 s GLU 10 N 2.01 0.85 0.43 3.54 -1.05 0.58 -4.93 118.70 120.13 2k20 s GLU 10 Ca 0.54 -0.21 -0.18 0.00 -0.15 0.00 0.00 54.97 54.97 2k20 s GLU 10 Cb -0.23 -0.81 -0.10 0.00 -0.44 0.00 0.00 34.13 32.55 2k20 s GLU 10 CO 0.22 0.04 0.91 -0.06 0.95 0.00 0.00 175.26 177.31 2k20 s PHE 11 N 0.43 3.37 -0.23 4.83 0.40 -1.26 -1.92 117.98 123.60 2k20 s PHE 11 Ca -0.06 1.47 -0.09 0.00 -0.60 0.00 0.00 56.93 57.65 2k20 s PHE 11 Cb -0.10 -2.75 0.10 0.00 0.51 0.00 0.00 43.02 40.77 2k20 s PHE 11 CO 0.00 -0.14 0.51 -0.51 0.70 0.00 0.00 175.22 175.78 2k20 s LEU 12 N -3.42 -0.74 0.33 -0.37 1.43 0.28 -4.94 118.68 111.25 2k20 s LEU 12 Ca 0.59 1.19 -0.23 0.00 -1.03 0.00 0.00 54.13 54.66 2k20 s LEU 12 Cb -0.10 1.72 -0.10 0.00 0.03 0.00 0.00 46.19 47.75 2k20 s LEU 12 CO 0.20 -0.22 0.89 -0.89 0.23 0.00 0.00 176.35 176.55 2k20 s THR 13 N 2.43 4.35 0.22 5.49 2.01 -1.26 -0.54 115.64 128.34 2k20 s THR 13 Ca -0.05 1.58 -0.00 0.00 0.31 0.00 0.00 61.69 63.53 2k20 s THR 13 Cb -0.11 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 2k20 s THR 13 CO -0.15 0.01 0.17 -0.36 -0.69 0.00 0.00 174.62 173.60 2k20 s PHE 14 N -1.77 1.22 -0.24 4.92 0.08 0.51 -4.91 117.98 117.79 2k20 s PHE 14 Ca 0.52 -1.39 -0.03 0.00 0.12 0.00 0.00 56.93 56.15 2k20 s PHE 14 Cb -0.15 -0.54 0.10 0.00 -0.57 0.00 0.00 43.02 41.85 2k20 s PHE 14 CO 0.20 -0.70 0.20 -1.21 -0.10 0.00 0.00 175.22 173.61 2k20 s GLU 15 N -4.03 0.21 -0.32 0.44 8.01 -1.26 0.36 118.70 122.11 2k20 s GLU 15 Ca 0.38 -0.11 -0.09 0.00 0.01 0.00 0.00 54.97 55.16 2k20 s GLU 15 Cb 0.06 -1.14 0.00 0.00 -4.31 0.00 0.00 34.13 28.74 2k20 s GLU 15 CO 0.14 -0.85 0.15 0.08 0.01 0.00 0.00 175.26 174.80 2k20 s VAL 16 N 2.25 4.47 -0.11 2.63 1.01 1.00 -4.89 120.40 126.76 2k20 s VAL 16 Ca 0.07 -0.59 -0.25 0.00 0.00 0.00 0.00 61.98 61.22 2k20 s VAL 16 Cb -0.15 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 2k20 s VAL 16 CO -0.23 -0.01 0.79 -2.16 0.00 0.00 0.00 175.10 173.49 2k20 s PRO 17 N 1.57 4.39 -0.18 2.72 0.04 -1.26 -0.21 135.00 142.07 2k20 s PRO 17 Ca 0.03 1.01 0.13 0.00 0.04 0.00 0.00 61.00 62.21 2k20 s PRO 17 Cb -0.18 -3.51 0.39 0.00 0.04 0.00 0.00 34.50 31.25 2k20 s PRO 17 CO 0.06 -0.13 1.20 1.47 0.04 0.00 0.00 177.00 179.63 2k20 n LEU 18 N 4.48 2.47 -0.60 -3.56 -0.00 -0.51 -4.42 117.00 114.85 2k20 n LEU 18 Ca 0.02 -3.57 0.47 0.00 -0.00 0.00 0.00 56.01 52.93 2k20 n LEU 18 Cb 0.50 -0.46 0.74 0.00 -0.00 0.00 0.00 43.42 44.20 2k20 n LEU 18 CO 0.48 1.20 1.34 -0.46 -0.00 0.00 0.00 177.39 179.95 2k20 n ASN 19 N -1.02 0.08 -0.06 1.45 2.04 -1.22 0.15 115.26 116.69 2k20 n ASN 19 Ca 0.17 1.12 -0.08 0.00 -0.44 0.00 0.00 54.58 55.35 2k20 n ASN 19 Cb 0.72 -0.55 -0.08 0.00 -2.53 0.00 0.00 39.78 37.34 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 -4.18 2.49 0.00 0.53 9.92 -1.26 -4.43 116.55 119.62 2k20 n ASP 20 Ca 0.42 -0.04 0.08 0.00 -0.53 0.00 0.00 54.79 54.72 2k20 n ASP 20 Cb 1.78 0.33 0.39 0.00 -0.64 0.00 0.00 41.12 42.98 2k20 n ASP 20 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2k20 n SER 21 N -2.65 0.00 -0.58 -2.24 2.88 0.92 -3.65 113.62 108.30 2k20 n SER 21 Ca -0.22 0.15 0.47 0.00 -1.33 0.00 0.00 58.87 57.94 2k20 n SER 21 Cb 0.83 -0.33 0.79 0.00 -0.75 0.00 0.00 64.21 64.75 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 2.67 0.11 1.12 0.46 0.00 0.12 1.20 103.07 108.76 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 -1.61 1.48 0.00 0.00 0.00 176.54 176.38 2k20 h SER 23 N 0.01 0.68 1.40 0.19 4.64 -1.84 -3.29 113.55 115.33 2k20 h SER 23 Ca 0.83 -0.86 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2k20 h SER 23 Cb 3.26 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 65.13 2k20 h SER 23 CO -0.04 1.71 0.00 0.00 -0.87 0.00 0.00 176.83 177.62 2k20 h ALA 24 N 0.19 1.00 0.00 5.18 0.00 0.66 -3.47 119.26 122.82 2k20 h ALA 24 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2k20 h ALA 24 Cb 2.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.91 2k20 h ALA 24 CO 0.22 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.88 2k20 n GLY 25 N 1.12 2.98 0.00 0.00 0.00 0.33 -4.14 105.19 105.48 2k20 n GLY 25 Ca 0.05 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -4.58 117.00 120.12 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 0.87 3.41 -3.96 0.00 -1.26 0.20 105.19 104.45 2k20 n GLY 27 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.52 0.02 -0.25 1.61 -7.23 -1.26 0.13 120.40 111.90 2k20 s VAL 28 Ca 0.00 -0.19 -0.03 0.00 -1.81 0.00 0.00 61.98 59.95 2k20 s VAL 28 Cb 0.00 -1.00 0.01 0.00 0.56 0.00 0.00 36.38 35.95 2k20 s VAL 28 CO 0.00 -0.10 -0.03 -0.44 -0.31 0.00 0.00 175.10 174.22 2k20 s SER 29 N -2.11 4.45 -0.03 4.85 0.01 0.20 -4.88 113.70 116.19 2k20 s SER 29 Ca -0.04 -0.67 -0.01 0.00 1.31 0.00 0.00 55.95 56.55 2k20 s SER 29 Cb -0.00 -1.73 -0.04 0.00 0.21 0.00 0.00 66.02 64.46 2k20 s SER 29 CO -0.04 -0.10 0.04 0.68 0.41 0.00 0.00 173.24 174.23 2k20 s VAL 30 N 1.41 4.48 -0.11 3.43 -7.23 -1.26 0.16 120.40 121.29 2k20 s VAL 30 Ca 0.03 -0.39 -0.05 0.00 -1.81 0.00 0.00 61.98 59.76 2k20 s VAL 30 Cb -0.16 -2.98 0.05 0.00 0.56 0.00 0.00 36.38 33.85 2k20 s VAL 30 CO -0.03 0.45 0.25 -0.75 -0.31 0.00 0.00 175.10 174.71 2k20 s LYS 31 N -1.40 0.20 0.24 4.82 2.36 -0.38 -4.83 119.74 120.76 2k20 s LYS 31 Ca 0.19 0.55 0.07 0.00 -2.55 0.00 0.00 55.97 54.22 2k20 s LYS 31 Cb -0.12 -0.12 -0.04 0.00 -1.05 0.00 0.00 37.83 36.51 2k20 s LYS 31 CO 0.09 -0.18 0.22 0.20 1.55 0.00 0.00 175.35 177.23 2k20 s GLY 32 N 1.38 1.40 0.07 5.54 0.00 -1.25 0.05 107.32 114.51 2k20 s GLY 32 Ca -0.08 -1.37 0.03 0.00 0.00 0.00 0.00 44.72 43.29 2k20 s GLY 32 CO -0.09 -1.41 -0.09 -1.31 0.00 0.00 0.00 173.10 170.21 2k20 s ASN 33 N -3.82 1.16 0.17 1.64 0.01 -0.60 -4.95 114.94 108.55 2k20 s ASN 33 Ca 0.33 -0.74 0.06 0.00 -0.71 0.00 0.00 52.86 51.80 2k20 s ASN 33 Cb -0.08 0.04 -0.04 0.00 0.41 0.00 0.00 41.25 41.58 2k20 s ASN 33 CO 0.26 -0.28 0.04 0.00 -1.51 0.00 0.00 177.10 175.61 2k20 s ARG 34 N -2.50 2.57 0.58 -0.60 1.70 -1.26 0.13 118.95 119.56 2k20 s ARG 34 Ca 0.00 -1.02 -0.18 0.00 -0.47 0.00 0.00 55.73 54.06 2k20 s ARG 34 Cb -0.04 -2.46 -0.14 0.00 -0.57 0.00 0.00 34.95 31.74 2k20 s ARG 34 CO -0.01 0.47 -0.15 0.43 -1.08 0.00 0.00 175.30 174.95 2k20 n SER 35 N -0.18 -3.74 0.21 -2.89 7.64 0.30 -4.80 113.62 110.16 2k20 n SER 35 Ca -0.09 0.60 -0.13 0.00 1.01 0.00 0.00 58.87 60.25 2k20 n SER 35 Cb 0.55 -0.87 -0.08 0.00 -1.01 0.00 0.00 64.21 62.81 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 -0.13 -0.53 0.00 1.43 3.64 -1.98 -3.37 116.57 115.63 2k20 h LYS 36 Ca -0.42 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 2k20 h LYS 36 Cb 1.42 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.36 2k20 h LYS 36 CO 0.40 -0.22 0.00 -1.91 -2.27 0.00 0.00 179.45 175.45 2k20 n GLU 37 N -5.19 0.00 -2.21 1.90 2.13 -1.26 -4.81 120.64 111.19 2k20 n GLU 37 Ca -0.10 0.44 -0.26 0.00 0.66 0.00 0.00 57.16 57.90 2k20 n GLU 37 Cb 0.29 -1.42 0.10 0.00 0.27 0.00 0.00 31.44 30.67 2k20 n GLU 37 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 2k20 s ASN 38 N -2.02 4.40 -0.51 4.31 0.01 -1.26 -4.98 114.94 114.88 2k20 s ASN 38 Ca 0.00 0.28 0.01 0.00 -0.71 0.00 0.00 52.86 52.44 2k20 s ASN 38 Cb 0.00 -0.76 0.53 0.00 0.41 0.00 0.00 41.25 41.42 2k20 s ASN 38 CO 0.00 -1.87 1.94 1.41 -1.51 0.00 0.00 177.10 177.07 2k20 n HIS 39 N -3.08 2.92 -3.08 2.20 8.25 -1.26 -3.96 115.22 117.22 2k20 n HIS 39 Ca 0.11 -2.27 -0.40 0.00 -0.26 0.00 0.00 57.72 54.89 2k20 n HIS 39 Cb 0.60 -1.12 -0.05 0.00 1.12 0.00 0.00 29.99 30.54 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 -3.28 3.50 0.36 -1.41 0.00 -1.26 -4.84 121.76 114.83 2k20 s ALA 40 Ca 0.56 -0.15 -0.28 0.00 0.00 0.00 0.00 51.96 52.09 2k20 s ALA 40 Cb 0.46 -3.00 -0.11 0.00 0.00 0.00 0.00 23.12 20.47 2k20 s ALA 40 CO 0.05 -0.47 1.49 -0.25 0.00 0.00 0.00 175.76 176.59 2k20 n ASP 41 N 4.80 3.76 -0.09 0.00 8.00 -1.26 0.11 116.55 131.86 2k20 n ASP 41 Ca -0.01 1.22 -0.09 0.00 0.71 0.00 0.00 54.79 56.62 2k20 n ASP 41 Cb 0.50 -1.61 -0.15 0.00 -0.02 0.00 0.00 41.12 39.83 2k20 n ASP 41 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2k20 n LEU 42 N 0.70 0.00 0.00 0.64 4.77 0.34 -4.73 117.00 118.71 2k20 n LEU 42 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 2k20 n LEU 42 Cb 0.38 0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 2k20 n LEU 42 CO 0.64 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.78 2k20 n GLY 43 N 1.79 -0.07 3.71 -0.72 0.00 -1.18 -4.98 105.19 103.75 2k20 n GLY 43 Ca -0.31 -1.74 -0.35 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.63 4.48 -0.02 -0.61 -0.00 -1.26 -1.56 121.20 120.60 2k20 s ILE 44 Ca 0.00 -0.19 0.05 0.00 -0.00 0.00 0.00 60.65 60.51 2k20 s ILE 44 Cb 0.00 -2.89 -0.01 0.00 -0.00 0.00 0.00 42.46 39.55 2k20 s ILE 44 CO 0.00 0.60 -0.17 -0.36 -0.00 0.00 0.00 174.94 175.02 2k20 s PHE 45 N -0.91 1.51 -0.35 1.37 0.08 0.11 -0.80 117.98 118.99 2k20 s PHE 45 Ca 0.14 -0.31 -0.28 0.00 0.12 0.00 0.00 56.93 56.60 2k20 s PHE 45 Cb -0.11 -0.98 -0.07 0.00 -0.57 0.00 0.00 43.02 41.28 2k20 s PHE 45 CO 0.03 -0.04 2.30 0.28 -0.10 0.00 0.00 175.22 177.68 2k20 n VAL 46 N 2.74 0.17 0.04 -0.44 0.31 -0.83 -1.25 118.33 119.06 2k20 n VAL 46 Ca -0.15 -0.53 -0.20 0.00 -0.01 0.00 0.00 64.34 63.45 2k20 n VAL 46 Cb 0.54 -2.45 -0.11 0.00 -0.91 0.00 0.00 33.84 30.91 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 16.10 0.64 -1.28 5.55 1.63 0.13 0.66 116.57 140.00 2k20 h LYS 47 Ca -0.32 -0.70 0.14 0.00 -0.85 0.00 0.00 60.65 58.92 2k20 h LYS 47 Cb 1.26 0.20 -0.24 0.00 -0.60 0.00 0.00 32.23 32.86 2k20 h LYS 47 CO 1.05 1.29 0.20 0.45 -3.45 0.00 0.00 179.45 178.98 2k20 s SER 48 N -7.20 -0.66 -0.20 4.20 0.15 -0.86 -4.81 113.70 104.32 2k20 s SER 48 Ca -0.10 0.93 -0.21 0.00 0.70 0.00 0.00 55.95 57.27 2k20 s SER 48 Cb 0.06 1.66 -0.02 0.00 -1.71 0.00 0.00 66.02 66.01 2k20 s SER 48 CO 0.90 -0.13 0.66 -0.63 1.20 0.00 0.00 173.24 175.24 2k20 s ILE 49 N 2.28 5.00 -0.24 6.45 1.01 -1.26 0.63 121.20 135.06 2k20 s ILE 49 Ca -0.05 1.24 -0.28 0.00 0.00 0.00 0.00 60.65 61.56 2k20 s ILE 49 Cb -0.06 -3.97 -0.05 0.00 0.01 0.00 0.00 42.46 38.39 2k20 s ILE 49 CO -0.17 0.09 2.20 -0.63 0.00 0.00 0.00 174.94 176.43 2k20 s ILE 50 N 2.02 3.04 -0.55 2.92 1.09 0.34 -4.82 121.20 125.25 2k20 s ILE 50 Ca 0.30 0.04 -0.26 0.00 -1.10 0.00 0.00 60.65 59.62 2k20 s ILE 50 Cb -0.16 -3.05 -0.25 0.00 -1.06 0.00 0.00 42.46 37.94 2k20 s ILE 50 CO 0.10 -0.03 1.81 -0.46 -0.10 0.00 0.00 174.94 176.27 2k20 n ASN 51 N 11.81 1.82 0.00 3.58 6.94 -1.26 -1.49 115.26 136.66 2k20 n ASN 51 Ca 0.30 -2.58 0.00 0.00 -0.02 0.00 0.00 54.58 52.27 2k20 n ASN 51 Cb 0.45 -1.02 0.00 0.00 -2.36 0.00 0.00 39.78 36.86 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 5.08 0.24 0.00 4.83 0.00 -1.26 -5.07 105.19 109.01 2k20 n GLY 52 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 -2.19 0.24 -0.02 0.00 -0.55 -4.69 105.19 97.97 2k20 n GLY 53 Ca 0.00 -1.46 -0.10 0.00 0.00 0.00 0.00 46.02 44.46 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 0.62 -0.39 4.61 0.00 0.21 -1.53 119.26 120.79 2k20 h ALA 54 Ca 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 2k20 h ALA 54 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2k20 h ALA 54 CO 0.00 0.37 0.10 0.00 0.00 0.00 0.00 179.25 179.71 2k20 h ALA 55 N 0.95 0.51 0.00 0.00 0.00 -1.18 0.18 119.26 119.72 2k20 h ALA 55 Ca 0.14 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2k20 h ALA 55 Cb 0.41 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2k20 h ALA 55 CO 0.01 0.18 -0.37 0.77 0.00 0.00 0.00 179.25 179.84 2k20 h SER 56 N 0.48 0.00 0.86 0.00 0.02 -1.70 -2.67 113.55 110.54 2k20 h SER 56 Ca 0.12 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.87 2k20 h SER 56 Cb 0.30 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 2k20 h SER 56 CO 0.00 0.37 -0.96 0.11 -1.14 0.00 0.00 176.83 175.21 2k20 h LYS 57 N 0.00 0.05 -0.55 3.45 1.57 -0.90 -3.22 116.57 116.97 2k20 h LYS 57 Ca -0.00 -0.07 0.15 0.00 -1.87 0.00 0.00 60.65 58.85 2k20 h LYS 57 Cb 0.66 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.97 2k20 h LYS 57 CO 0.05 0.97 0.39 0.22 -0.57 0.00 0.00 179.45 180.50 2k20 h ASP 58 N 0.02 0.07 -0.39 0.86 3.58 -0.29 -3.45 116.42 116.82 2k20 h ASP 58 Ca -0.03 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.26 2k20 h ASP 58 Cb 1.67 -0.01 -0.07 0.00 1.72 0.00 0.00 39.33 42.65 2k20 h ASP 58 CO 0.13 0.04 -0.15 0.61 -2.88 0.00 0.00 179.24 176.99 2k20 n GLY 59 N -1.62 1.00 0.38 -0.78 0.00 -1.22 -4.83 105.19 98.12 2k20 n GLY 59 Ca 0.10 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.65 0.00 -4.81 1.61 1.85 -1.26 -5.08 116.66 106.33 2k20 n ARG 60 Ca -0.08 -0.76 -0.33 0.00 -1.00 0.00 0.00 57.85 55.68 2k20 n ARG 60 Cb 0.28 -0.43 -0.14 0.00 -1.05 0.00 0.00 32.46 31.11 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 0.00 2.69 0.01 2.89 1.43 -1.26 -5.06 118.68 119.37 2k20 s LEU 61 Ca 0.00 -0.33 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 2k20 s LEU 61 Cb 0.00 -1.60 -0.01 0.00 0.03 0.00 0.00 46.19 44.62 2k20 s LEU 61 CO 0.00 0.18 -0.01 0.00 0.23 0.00 0.00 176.35 176.75 2k20 s ARG 62 N 0.26 0.13 0.68 1.70 3.03 -1.26 -4.87 118.95 118.62 2k20 s ARG 62 Ca -0.10 -0.18 -0.17 0.00 2.03 0.00 0.00 55.73 57.32 2k20 s ARG 62 Cb -0.16 -0.02 -0.03 0.00 -1.03 0.00 0.00 34.95 33.71 2k20 s ARG 62 CO 0.05 0.00 0.77 0.28 -1.13 0.00 0.00 175.30 175.28 2k20 n VAL 63 N 2.68 2.61 -1.02 4.99 0.31 -1.26 -2.77 118.33 123.87 2k20 n VAL 63 Ca -0.15 -0.42 -0.01 0.00 -0.01 0.00 0.00 64.34 63.75 2k20 n VAL 63 Cb 0.59 -0.94 -0.00 0.00 -0.91 0.00 0.00 33.84 32.57 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 -0.82 -3.24 -4.56 4.52 3.02 0.23 -4.90 115.26 109.50 2k20 n ASN 64 Ca 0.12 0.02 -0.42 0.00 -0.03 0.00 0.00 54.58 54.27 2k20 n ASN 64 Cb 0.49 -0.80 -0.07 0.00 -0.61 0.00 0.00 39.78 38.79 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 -2.37 6.39 0.31 6.41 1.11 -1.12 -4.72 116.67 122.68 2k20 s ASP 65 Ca 0.00 0.05 -0.29 0.00 0.18 0.00 0.00 52.55 52.50 2k20 s ASP 65 Cb 0.00 -2.31 -0.10 0.00 1.07 0.00 0.00 42.92 41.58 2k20 s ASP 65 CO 0.00 -0.58 1.18 -1.58 1.18 0.00 0.00 175.17 175.37 2k20 s GLN 66 N 2.63 4.48 -0.16 8.23 -0.44 -0.66 -1.97 119.66 131.77 2k20 s GLN 66 Ca 0.23 1.95 -0.11 0.00 -2.50 0.00 0.00 55.36 54.93 2k20 s GLN 66 Cb -0.15 -3.10 -0.05 0.00 -1.64 0.00 0.00 33.01 28.08 2k20 s GLN 66 CO 0.15 0.02 0.21 -0.51 0.50 0.00 0.00 175.29 175.66 2k20 s LEU 67 N -1.67 4.26 -0.05 3.68 1.43 0.02 0.26 118.68 126.60 2k20 s LEU 67 Ca 0.47 0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 53.97 2k20 s LEU 67 Cb -0.35 -2.23 -0.03 0.00 0.03 0.00 0.00 46.19 43.62 2k20 s LEU 67 CO 0.45 0.18 -0.06 -0.38 0.23 0.00 0.00 176.35 176.78 2k20 n ILE 68 N 3.27 0.29 -4.03 -0.59 -0.00 0.85 -4.47 119.36 114.67 2k20 n ILE 68 Ca -0.15 -0.09 -0.12 0.00 -0.00 0.00 0.00 62.75 62.39 2k20 n ILE 68 Cb 0.52 -1.14 -0.11 0.00 -0.00 0.00 0.00 39.64 38.91 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 -2.10 0.41 -0.05 -1.39 0.00 -0.92 0.27 121.76 117.98 2k20 s ALA 69 Ca -0.07 -0.69 -0.02 0.00 0.00 0.00 0.00 51.96 51.18 2k20 s ALA 69 Cb 0.02 0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.26 2k20 s ALA 69 CO 0.10 -0.07 0.08 0.54 0.00 0.00 0.00 175.76 176.41 2k20 s VAL 70 N -1.39 -0.12 -0.19 0.00 0.11 -0.46 -0.22 120.40 118.13 2k20 s VAL 70 Ca -0.12 0.35 0.00 0.00 -2.93 0.00 0.00 61.98 59.28 2k20 s VAL 70 Cb -0.10 -0.17 0.00 0.00 -1.53 0.00 0.00 36.38 34.58 2k20 s VAL 70 CO -0.00 0.14 0.00 0.59 -3.33 0.00 0.00 175.10 172.50 2k20 n ASN 71 N 4.95 -5.03 0.00 3.54 3.02 0.82 -1.95 115.26 120.62 2k20 n ASN 71 Ca -0.11 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 2k20 n ASN 71 Cb 0.50 -2.68 0.00 0.00 -0.61 0.00 0.00 39.78 36.99 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 -0.36 2.53 3.58 7.41 0.00 -1.26 -4.80 105.19 112.28 2k20 n GLY 72 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.54 3.81 0.25 1.61 -1.05 -0.82 -5.06 118.70 116.90 2k20 s GLU 73 Ca 0.00 -0.02 -0.30 0.00 -0.15 0.00 0.00 54.97 54.50 2k20 s GLU 73 Cb 0.00 -3.74 -0.09 0.00 -0.44 0.00 0.00 34.13 29.86 2k20 s GLU 73 CO 0.00 -0.48 1.01 0.45 0.95 0.00 0.00 175.26 177.18 2k20 s SER 74 N 1.68 7.49 -0.04 0.83 0.15 -1.26 -1.35 113.70 121.19 2k20 s SER 74 Ca 0.18 2.07 0.07 0.00 0.70 0.00 0.00 55.95 58.97 2k20 s SER 74 Cb -0.16 -2.62 0.14 0.00 -1.71 0.00 0.00 66.02 61.68 2k20 s SER 74 CO 0.11 0.03 1.10 0.00 1.20 0.00 0.00 173.24 175.67 2k20 n LEU 75 N 1.46 2.32 0.33 3.45 -0.00 0.14 -4.67 117.00 120.03 2k20 n LEU 75 Ca -0.01 -2.34 0.21 0.00 -0.00 0.00 0.00 56.01 53.87 2k20 n LEU 75 Cb 0.46 -0.17 1.13 0.00 -0.00 0.00 0.00 43.42 44.84 2k20 n LEU 75 CO 0.52 0.59 1.16 0.25 -0.00 0.00 0.00 177.39 179.91 2k20 h LEU 76 N 0.36 0.00 0.00 1.47 5.85 -1.87 -1.48 115.31 119.64 2k20 h LEU 76 Ca 0.00 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 2k20 h LEU 76 Cb 0.71 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 2k20 h LEU 76 CO 0.01 0.00 -0.94 1.23 -0.34 0.00 0.00 178.44 178.40 2k20 h GLY 77 N 0.19 0.00 -3.46 3.75 0.00 -1.92 -3.46 103.07 98.16 2k20 h GLY 77 Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 2k20 h GLY 77 CO 0.00 0.00 -0.37 -1.59 0.00 0.00 0.00 176.54 174.58 2k20 s LYS 78 N -2.98 3.47 1.09 4.80 -2.85 -0.56 -5.09 119.74 117.63 2k20 s LYS 78 Ca 0.01 -0.53 -0.14 0.00 -1.00 0.00 0.00 55.97 54.31 2k20 s LYS 78 Cb 0.08 -2.86 0.20 0.00 -2.06 0.00 0.00 37.83 33.19 2k20 s LYS 78 CO 0.78 0.40 0.74 0.00 0.10 0.00 0.00 175.35 177.37 2k20 n ALA 79 N -1.06 -2.78 -0.24 0.59 0.00 -1.26 -4.57 120.51 111.19 2k20 n ALA 79 Ca -0.07 -1.03 -0.04 0.00 0.00 0.00 0.00 53.44 52.30 2k20 n ALA 79 Cb 0.55 -1.91 0.11 0.00 0.00 0.00 0.00 19.45 18.21 2k20 n ALA 79 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2k20 h ASN 80 N -2.29 1.00 -0.45 0.00 7.08 -1.89 0.50 115.58 119.53 2k20 h ASN 80 Ca -0.54 -0.15 -0.09 0.00 -3.08 0.00 0.00 56.30 52.43 2k20 h ASN 80 Cb 1.32 -0.26 -0.01 0.00 -2.08 0.00 0.00 38.32 37.29 2k20 h ASN 80 CO 0.43 0.89 -0.09 0.06 -2.08 0.00 0.00 177.43 176.65 2k20 h GLN 81 N 1.06 0.85 -0.16 4.14 -0.00 -1.93 0.28 115.11 119.35 2k20 h GLN 81 Ca 0.24 -0.31 -0.15 0.00 -0.00 0.00 0.00 58.65 58.43 2k20 h GLN 81 Cb 0.21 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 27.63 2k20 h GLN 81 CO -0.02 0.95 -0.53 0.93 -0.00 0.00 0.00 178.83 180.16 2k20 h GLU 82 N 0.68 0.46 -0.15 0.06 4.39 -1.83 -1.79 114.58 116.41 2k20 h GLU 82 Ca 0.12 -0.28 -0.05 0.00 0.34 0.00 0.00 59.36 59.48 2k20 h GLU 82 Cb 0.62 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2k20 h GLU 82 CO 0.04 0.88 -0.11 0.00 -1.16 0.00 0.00 179.01 178.66 2k20 h ALA 83 N 1.07 0.22 -0.08 3.43 0.00 0.23 0.17 119.26 124.29 2k20 h ALA 83 Ca 0.01 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2k20 h ALA 83 Cb 1.05 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2k20 h ALA 83 CO 0.09 0.06 -0.07 0.00 0.00 0.00 0.00 179.25 179.33 2k20 h MET 84 N -0.01 0.12 0.03 0.00 -0.00 -0.40 0.64 114.93 115.31 2k20 h MET 84 Ca 0.03 -0.02 -0.22 0.00 -0.00 0.00 0.00 59.70 59.49 2k20 h MET 84 Cb 0.61 -0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 32.19 2k20 h MET 84 CO 0.03 0.21 -0.98 1.49 -0.00 0.00 0.00 176.91 177.65 2k20 h GLU 85 N 0.12 0.26 -0.23 -0.10 4.57 -1.12 -0.82 114.58 117.26 2k20 h GLU 85 Ca 0.03 -0.32 -0.14 0.00 -1.18 0.00 0.00 59.36 57.75 2k20 h GLU 85 Cb 0.21 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 2k20 h GLU 85 CO 0.01 1.06 -0.43 1.15 -1.18 0.00 0.00 179.01 179.62 2k20 h THR 86 N 0.13 1.30 0.06 0.32 2.02 0.50 -1.70 112.91 115.54 2k20 h THR 86 Ca -0.07 -1.61 -0.24 0.00 0.77 0.00 0.00 66.41 65.26 2k20 h THR 86 Cb 1.64 1.59 -0.00 0.00 -1.74 0.00 0.00 68.15 69.64 2k20 h THR 86 CO 0.16 0.51 -1.07 0.17 0.37 0.00 0.00 175.52 175.65 2k20 h LEU 87 N 0.47 0.35 -0.04 2.58 8.10 -0.93 -1.21 115.31 124.62 2k20 h LEU 87 Ca 0.03 -0.33 0.01 0.00 0.11 0.00 0.00 57.88 57.70 2k20 h LEU 87 Cb 0.94 -0.11 -0.01 0.00 -0.44 0.00 0.00 40.66 41.04 2k20 h LEU 87 CO 0.08 1.20 -0.01 -0.09 -4.11 0.00 0.00 178.44 175.52 2k20 h ARG 88 N 0.10 0.00 -0.14 0.17 2.43 -0.98 1.02 114.38 116.98 2k20 h ARG 88 Ca -0.09 -0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.89 2k20 h ARG 88 Cb 1.77 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.32 2k20 h ARG 88 CO 0.17 0.00 -0.70 0.07 -1.51 0.00 0.00 179.97 178.01 2k20 h ARG 89 N 0.00 0.60 0.00 0.20 -0.00 -1.37 -0.89 114.38 112.92 2k20 h ARG 89 Ca 0.02 -0.46 -0.11 0.00 -0.00 0.00 0.00 59.98 59.44 2k20 h ARG 89 Cb 0.03 0.08 -0.02 0.00 -0.00 0.00 0.00 29.97 30.07 2k20 h ARG 89 CO -0.04 1.08 -0.51 1.03 -0.00 0.00 0.00 179.97 181.52 2k20 h SER 90 N 0.42 0.00 0.94 0.08 0.87 -0.95 -0.72 113.55 114.20 2k20 h SER 90 Ca -0.03 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.46 2k20 h SER 90 Cb 1.29 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.23 2k20 h SER 90 CO 0.13 0.51 -1.11 0.00 -0.53 0.00 0.00 176.83 175.84 2k20 h MET 91 N 0.00 0.00 -0.20 2.24 -0.00 0.11 1.15 114.93 118.24 2k20 h MET 91 Ca -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.66 2k20 h MET 91 Cb 0.94 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.52 2k20 h MET 91 CO 0.07 0.15 -0.03 0.45 -0.00 0.00 0.00 176.91 177.55 2k20 n SER 92 N -2.82 3.18 0.00 -0.10 2.88 -0.34 -3.72 113.62 112.69 2k20 n SER 92 Ca -0.04 -3.19 0.00 0.00 -1.33 0.00 0.00 58.87 54.31 2k20 n SER 92 Cb 0.68 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 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 -0.88 0.00 -0.05 2.46 5.66 -0.28 -4.91 114.28 116.27 2k20 n THR 93 Ca 0.22 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 61.15 2k20 n THR 93 Cb 0.84 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.58 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 -1.02 0.42 0.13 1.09 1.02 -1.06 -4.19 120.64 117.04 2k20 n GLU 94 Ca 0.00 0.06 -0.01 0.00 -0.02 0.00 0.00 57.16 57.18 2k20 n GLU 94 Cb 0.00 -1.21 0.20 0.00 -0.02 0.00 0.00 31.44 30.41 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 0.87 0.08 1.68 0.62 0.00 0.12 -3.01 103.07 103.42 2k20 h GLY 95 Ca -0.24 -0.09 -0.22 0.00 0.00 0.00 0.00 47.33 46.78 2k20 h GLY 95 CO -0.03 0.08 -0.98 -0.57 0.00 0.00 0.00 176.54 175.04 2k20 h ASN 96 N 0.06 0.37 -1.00 0.19 -0.00 -1.78 0.36 115.58 113.79 2k20 h ASN 96 Ca -0.00 -0.32 0.29 0.00 -0.00 0.00 0.00 56.30 56.27 2k20 h ASN 96 Cb 0.98 -0.12 -0.19 0.00 -0.00 0.00 0.00 38.32 39.00 2k20 h ASN 96 CO 0.07 1.15 0.08 0.29 -0.00 0.00 0.00 177.43 179.03 2k20 n LYS 97 N -3.65 -0.08 0.03 6.67 5.02 -1.14 0.56 118.16 125.58 2k20 n LYS 97 Ca -0.05 1.48 0.05 0.00 -2.02 0.00 0.00 58.31 57.77 2k20 n LYS 97 Cb 0.87 -2.39 -0.08 0.00 -0.02 0.00 0.00 35.03 33.41 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 -5.47 0.63 0.00 1.97 0.00 -1.25 -4.97 116.66 107.58 2k20 n ARG 98 Ca 0.25 0.07 0.00 0.00 -0.00 0.00 0.00 57.85 58.17 2k20 n ARG 98 Cb 0.83 -1.72 0.00 0.00 -0.00 0.00 0.00 32.46 31.57 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 1.33 0.89 3.61 2.89 0.00 0.19 -5.06 105.19 109.04 2k20 n GLY 99 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.23 0.73 -0.02 1.61 0.23 0.13 -1.43 119.30 120.31 2k20 s MET 100 Ca 0.00 0.65 0.03 0.00 -1.03 0.00 0.00 55.69 55.35 2k20 s MET 100 Cb 0.00 0.35 -0.03 0.00 -1.53 0.00 0.00 34.83 33.62 2k20 s MET 100 CO 0.00 -0.13 -0.10 -1.50 -2.03 0.00 0.00 175.02 171.26 2k20 s ILE 101 N -0.07 3.44 0.42 3.16 2.07 0.70 -4.53 121.20 126.38 2k20 s ILE 101 Ca -0.01 -0.76 -0.23 0.00 -1.41 0.00 0.00 60.65 58.25 2k20 s ILE 101 Cb -0.04 -2.44 -0.09 0.00 0.13 0.00 0.00 42.46 40.02 2k20 s ILE 101 CO -0.00 0.46 1.02 -1.58 -1.91 0.00 0.00 174.94 172.93 2k20 s GLN 102 N -1.17 4.13 -0.19 3.50 0.74 -1.26 -0.00 119.66 125.41 2k20 s GLN 102 Ca 0.15 1.38 -0.04 0.00 0.05 0.00 0.00 55.36 56.89 2k20 s GLN 102 Cb -0.11 -2.38 0.08 0.00 1.10 0.00 0.00 33.01 31.70 2k20 s GLN 102 CO 0.05 -0.15 0.18 -0.51 -0.55 0.00 0.00 175.29 174.30 2k20 s LEU 103 N -2.90 0.04 -0.37 3.68 1.43 0.16 -0.13 118.68 120.60 2k20 s LEU 103 Ca 0.60 -0.33 -0.13 0.00 -1.03 0.00 0.00 54.13 53.25 2k20 s LEU 103 Cb -0.18 0.17 0.01 0.00 0.03 0.00 0.00 46.19 46.22 2k20 s LEU 103 CO 0.22 -0.33 0.24 -0.63 0.23 0.00 0.00 176.35 176.09 2k20 s ILE 104 N 2.26 5.06 0.21 -0.59 1.01 0.69 0.19 121.20 130.03 2k20 s ILE 104 Ca 0.05 -0.52 0.09 0.00 0.00 0.00 0.00 60.65 60.28 2k20 s ILE 104 Cb -0.16 -3.72 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 2k20 s ILE 104 CO -0.11 -0.15 -0.18 0.68 0.00 0.00 0.00 174.94 175.18 2k20 s VAL 105 N 1.66 2.02 -0.10 2.92 -7.23 0.29 -0.11 120.40 119.86 2k20 s VAL 105 Ca 0.05 -2.13 0.00 0.00 -1.81 0.00 0.00 61.98 58.09 2k20 s VAL 105 Cb -0.18 -2.04 0.02 0.00 0.56 0.00 0.00 36.38 34.74 2k20 s VAL 105 CO 0.09 -0.39 -0.09 0.00 -0.31 0.00 0.00 175.10 174.41 2k20 s ALA 106 N -2.36 1.30 0.37 1.32 0.00 0.14 0.98 121.76 123.51 2k20 s ALA 106 Ca 0.22 -0.50 0.05 0.00 0.00 0.00 0.00 51.96 51.72 2k20 s ALA 106 Cb -0.04 -0.81 -0.02 0.00 0.00 0.00 0.00 23.12 22.24 2k20 s ALA 106 CO 0.09 -0.27 0.19 2.89 0.00 0.00 0.00 175.76 178.66 2k20 n ARG 107 N 4.63 0.51 -3.38 0.00 -4.01 -0.81 -1.65 116.66 111.95 2k20 n ARG 107 Ca -0.16 -3.32 -0.38 0.00 -1.04 0.00 0.00 57.85 52.96 2k20 n ARG 107 Cb 0.50 2.13 -0.06 0.00 -3.04 0.00 0.00 32.46 32.00 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 -3.44 4.04 -0.39 2.89 3.00 -1.26 -0.31 118.95 123.48 2k20 s ARG 108 Ca 0.27 0.55 -0.29 0.00 0.00 0.00 0.00 55.73 56.26 2k20 s ARG 108 Cb 0.01 -3.16 0.00 0.00 0.00 0.00 0.00 34.95 31.80 2k20 s ARG 108 CO 0.19 0.63 1.49 0.42 0.00 0.00 0.00 175.30 178.03 2k20 s ILE 109 N -1.18 3.82 0.00 1.52 1.01 -0.09 -4.96 121.20 121.31 2k20 s ILE 109 Ca 0.29 0.83 0.00 0.00 0.00 0.00 0.00 60.65 61.77 2k20 s ILE 109 Cb -0.17 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.22 2k20 s ILE 109 CO 0.17 -0.67 0.29 -0.24 0.00 0.00 0.00 174.94 174.49