#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k20 h THR 8 N 0.00 0.73 -3.28 2.61 1.35 -1.99 -3.45 112.91 108.88 2k20 h THR 8 Ca 0.00 -2.32 -0.57 0.00 -0.55 0.00 0.00 66.41 62.97 2k20 h THR 8 Cb 0.00 2.24 -0.05 0.00 -1.73 0.00 0.00 68.15 68.61 2k20 h THR 8 CO 0.00 0.41 0.97 -0.60 -0.25 0.00 0.00 175.52 176.06 2k20 s ARG 9 N -2.82 3.83 0.13 4.72 3.52 -1.26 -2.22 118.95 124.86 2k20 s ARG 9 Ca -0.02 1.06 0.05 0.00 -0.13 0.00 0.00 55.73 56.69 2k20 s ARG 9 Cb 0.08 -3.90 -0.04 0.00 -1.56 0.00 0.00 34.95 29.54 2k20 s ARG 9 CO 0.81 -1.23 -0.12 -1.83 -0.81 0.00 0.00 175.30 172.11 2k20 s GLU 10 N 4.32 1.04 0.16 5.12 -1.05 -0.70 -4.97 118.70 122.62 2k20 s GLU 10 Ca 0.55 -1.32 -0.03 0.00 -0.15 0.00 0.00 54.97 54.01 2k20 s GLU 10 Cb -0.14 -0.80 -0.05 0.00 -0.44 0.00 0.00 34.13 32.70 2k20 s GLU 10 CO 0.26 0.13 0.37 -0.06 0.95 0.00 0.00 175.26 176.91 2k20 s PHE 11 N -2.60 3.48 -0.17 4.83 0.40 -1.26 -1.93 117.98 120.73 2k20 s PHE 11 Ca 0.12 0.49 -0.04 0.00 -0.60 0.00 0.00 56.93 56.90 2k20 s PHE 11 Cb -0.02 -1.96 0.06 0.00 0.51 0.00 0.00 43.02 41.61 2k20 s PHE 11 CO 0.02 0.42 0.06 -0.51 0.70 0.00 0.00 175.22 175.91 2k20 s LEU 12 N -2.84 0.73 -0.17 -0.37 1.43 0.19 -4.95 118.68 112.70 2k20 s LEU 12 Ca 0.40 -0.65 -0.12 0.00 -1.03 0.00 0.00 54.13 52.73 2k20 s LEU 12 Cb -0.12 -0.41 -0.05 0.00 0.03 0.00 0.00 46.19 45.65 2k20 s LEU 12 CO 0.26 -0.32 0.23 -0.89 0.23 0.00 0.00 176.35 175.87 2k20 s THR 13 N 2.00 5.34 0.24 5.49 2.01 -1.26 -1.25 115.64 128.22 2k20 s THR 13 Ca 0.01 0.42 0.00 0.00 0.31 0.00 0.00 61.69 62.43 2k20 s THR 13 Cb -0.16 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 2k20 s THR 13 CO -0.08 0.42 0.19 -0.36 -0.69 0.00 0.00 174.62 174.10 2k20 s PHE 14 N 0.34 1.26 -0.21 4.92 0.08 0.49 -4.97 117.98 119.89 2k20 s PHE 14 Ca 0.14 -1.41 0.00 0.00 0.12 0.00 0.00 56.93 55.78 2k20 s PHE 14 Cb -0.12 -0.54 0.05 0.00 -0.57 0.00 0.00 43.02 41.84 2k20 s PHE 14 CO 0.02 -0.73 -0.05 -1.21 -0.10 0.00 0.00 175.22 173.15 2k20 s GLU 15 N -3.95 1.55 -0.30 0.44 8.01 -1.26 0.39 118.70 123.58 2k20 s GLU 15 Ca 0.38 -0.82 -0.09 0.00 0.01 0.00 0.00 54.97 54.45 2k20 s GLU 15 Cb 0.05 -2.41 -0.01 0.00 -4.31 0.00 0.00 34.13 27.45 2k20 s GLU 15 CO 0.16 -0.54 0.14 0.08 0.01 0.00 0.00 175.26 175.11 2k20 s VAL 16 N 1.49 4.61 -0.14 2.63 1.01 0.54 -4.90 120.40 125.64 2k20 s VAL 16 Ca -0.03 -0.33 -0.21 0.00 0.00 0.00 0.00 61.98 61.40 2k20 s VAL 16 Cb -0.18 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 2k20 s VAL 16 CO -0.07 0.12 0.64 -2.16 0.00 0.00 0.00 175.10 173.63 2k20 s PRO 17 N 1.63 4.31 -0.25 2.72 0.04 -1.26 0.15 135.00 142.33 2k20 s PRO 17 Ca 0.05 0.69 0.10 0.00 0.04 0.00 0.00 61.00 61.89 2k20 s PRO 17 Cb -0.17 -3.51 0.46 0.00 0.04 0.00 0.00 34.50 31.32 2k20 s PRO 17 CO 0.06 -0.09 1.35 1.47 0.04 0.00 0.00 177.00 179.83 2k20 n LEU 18 N 4.45 3.44 -0.61 -3.56 -0.00 0.41 -4.35 117.00 116.78 2k20 n LEU 18 Ca -0.02 -3.78 0.47 0.00 -0.00 0.00 0.00 56.01 52.68 2k20 n LEU 18 Cb 0.50 -0.58 0.73 0.00 -0.00 0.00 0.00 43.42 44.08 2k20 n LEU 18 CO 0.45 1.28 1.32 -0.46 -0.00 0.00 0.00 177.39 179.99 2k20 n ASN 19 N -1.12 0.06 -0.04 1.45 2.04 -1.20 0.16 115.26 116.61 2k20 n ASN 19 Ca 0.26 1.04 -0.05 0.00 -0.44 0.00 0.00 54.58 55.39 2k20 n ASN 19 Cb 0.87 -0.51 -0.06 0.00 -2.53 0.00 0.00 39.78 37.54 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 -4.02 3.08 0.00 0.53 8.00 -1.26 -4.49 116.55 118.39 2k20 n ASP 20 Ca 0.41 -0.01 0.11 0.00 0.71 0.00 0.00 54.79 56.00 2k20 n ASP 20 Cb 1.78 0.52 0.55 0.00 -0.02 0.00 0.00 41.12 43.95 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 -2.40 0.00 -0.42 -2.24 2.88 0.90 -3.78 113.62 108.55 2k20 n SER 21 Ca -0.14 -0.05 0.40 0.00 -1.33 0.00 0.00 58.87 57.75 2k20 n SER 21 Cb 0.74 -0.27 0.72 0.00 -0.75 0.00 0.00 64.21 64.65 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 3.60 0.00 1.04 0.46 0.00 0.14 1.00 103.07 109.31 2k20 h GLY 22 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 2k20 h GLY 22 CO 0.00 0.00 -1.67 1.48 0.00 0.00 0.00 176.54 176.35 2k20 h SER 23 N 0.00 0.15 -0.32 0.19 4.64 -1.84 -3.32 113.55 113.05 2k20 h SER 23 Ca 0.67 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 2k20 h SER 23 Cb 2.90 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 64.94 2k20 h SER 23 CO -0.01 1.25 0.00 0.00 -0.87 0.00 0.00 176.83 177.21 2k20 n ALA 24 N -2.65 2.46 0.00 5.18 0.00 0.31 -4.93 120.51 120.88 2k20 n ALA 24 Ca -0.18 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.65 2k20 n ALA 24 Cb 1.04 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.50 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 1.07 1.75 0.00 0.00 0.00 0.81 -3.49 105.19 105.33 2k20 n GLY 25 Ca 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -4.52 117.00 120.18 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 -0.55 0.94 3.40 -3.96 0.00 -1.23 0.19 105.19 103.97 2k20 n GLY 27 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.15 0.03 -0.28 1.61 -7.23 -1.26 0.98 120.40 113.11 2k20 s VAL 28 Ca 0.00 -0.30 0.01 0.00 -1.81 0.00 0.00 61.98 59.88 2k20 s VAL 28 Cb 0.00 -1.13 0.05 0.00 0.56 0.00 0.00 36.38 35.87 2k20 s VAL 28 CO 0.00 -0.13 -0.06 -0.44 -0.31 0.00 0.00 175.10 174.16 2k20 s SER 29 N -2.78 4.63 -0.10 4.85 0.01 0.29 -4.87 113.70 115.72 2k20 s SER 29 Ca 0.03 -1.31 -0.03 0.00 1.31 0.00 0.00 55.95 55.95 2k20 s SER 29 Cb -0.00 -1.63 -0.03 0.00 0.21 0.00 0.00 66.02 64.57 2k20 s SER 29 CO -0.11 -0.22 0.00 0.68 0.41 0.00 0.00 173.24 174.00 2k20 s VAL 30 N 1.18 4.30 -0.04 3.43 -7.23 -1.26 0.13 120.40 120.91 2k20 s VAL 30 Ca -0.07 -0.24 -0.01 0.00 -1.81 0.00 0.00 61.98 59.85 2k20 s VAL 30 Cb -0.20 -2.83 0.03 0.00 0.56 0.00 0.00 36.38 33.95 2k20 s VAL 30 CO -0.03 0.58 0.08 -1.59 -0.31 0.00 0.00 175.10 173.83 2k20 s LYS 31 N -0.63 0.01 0.39 4.82 0.00 -0.97 -4.89 119.74 118.47 2k20 s LYS 31 Ca 0.10 0.27 -0.06 0.00 0.00 0.00 0.00 55.97 56.29 2k20 s LYS 31 Cb -0.12 -0.23 -0.05 0.00 0.00 0.00 0.00 37.83 37.44 2k20 s LYS 31 CO 0.02 -0.17 0.69 0.20 0.00 0.00 0.00 175.35 176.08 2k20 s GLY 32 N 1.16 1.71 0.04 0.59 0.00 -1.26 -2.23 107.32 107.33 2k20 s GLY 32 Ca -0.09 -0.48 0.06 0.00 0.00 0.00 0.00 44.72 44.21 2k20 s GLY 32 CO -0.04 -0.34 -0.16 -1.31 0.00 0.00 0.00 173.10 171.25 2k20 s ASN 33 N -3.55 1.92 0.09 1.64 0.02 -0.80 -4.97 114.94 109.29 2k20 s ASN 33 Ca 0.47 -0.47 -0.06 0.00 -1.02 0.00 0.00 52.86 51.78 2k20 s ASN 33 Cb -0.10 -0.14 -0.05 0.00 0.02 0.00 0.00 41.25 40.97 2k20 s ASN 33 CO 0.36 0.08 0.34 -0.13 0.02 0.00 0.00 177.10 177.76 2k20 s ARG 34 N -1.12 3.62 0.31 -0.60 0.52 -1.26 0.90 118.95 121.32 2k20 s ARG 34 Ca 0.04 -0.07 -0.26 0.00 -0.52 0.00 0.00 55.73 54.92 2k20 s ARG 34 Cb -0.08 -2.96 -0.14 0.00 0.52 0.00 0.00 34.95 32.29 2k20 s ARG 34 CO 0.01 0.55 0.70 0.45 0.02 0.00 0.00 175.30 177.03 2k20 n SER 35 N 0.53 -0.24 0.29 0.23 2.88 0.29 -4.79 113.62 112.82 2k20 n SER 35 Ca -0.06 1.07 0.15 0.00 -1.33 0.00 0.00 58.87 58.71 2k20 n SER 35 Cb 0.52 -1.12 0.92 0.00 -0.75 0.00 0.00 64.21 63.77 2k20 n SER 35 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2k20 h LYS 36 N 1.28 0.00 0.00 -1.46 -0.00 -1.96 -3.27 116.57 111.17 2k20 h LYS 36 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.29 2k20 h LYS 36 Cb 1.39 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.62 2k20 h LYS 36 CO 0.56 0.00 0.00 0.39 -0.00 0.00 0.00 179.45 180.40 2k20 n GLU 37 N -3.82 0.00 -0.32 0.07 1.02 -1.26 -5.04 120.64 111.29 2k20 n GLU 37 Ca -0.03 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 2k20 n GLU 37 Cb 0.10 -0.75 0.00 0.00 -0.02 0.00 0.00 31.44 30.77 2k20 n GLU 37 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2k20 n ASN 38 N -1.84 0.62 -1.92 1.62 0.23 -1.23 -5.00 115.26 107.74 2k20 n ASN 38 Ca 0.00 -0.25 -0.19 0.00 -0.53 0.00 0.00 54.58 53.62 2k20 n ASN 38 Cb 0.00 0.00 0.10 0.00 -2.08 0.00 0.00 39.78 37.80 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 -0.17 2.15 -2.25 -2.53 8.25 -1.26 -3.39 115.22 116.02 2k20 n HIS 39 Ca 0.00 -1.73 -0.41 0.00 -0.26 0.00 0.00 57.72 55.31 2k20 n HIS 39 Cb 0.00 -0.87 -0.03 0.00 1.12 0.00 0.00 29.99 30.22 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 -2.38 2.72 -0.41 -1.41 0.00 -1.26 -4.69 121.76 114.32 2k20 s ALA 40 Ca 0.41 -0.45 -0.31 0.00 0.00 0.00 0.00 51.96 51.61 2k20 s ALA 40 Cb 0.34 -4.11 -0.10 0.00 0.00 0.00 0.00 23.12 19.25 2k20 s ALA 40 CO 0.05 -3.01 2.31 -0.25 0.00 0.00 0.00 175.76 174.86 2k20 n ASP 41 N 10.23 2.30 0.23 0.00 9.92 -1.26 0.11 116.55 138.07 2k20 n ASP 41 Ca 0.16 0.09 0.10 0.00 -0.53 0.00 0.00 54.79 54.61 2k20 n ASP 41 Cb 0.49 -1.39 0.56 0.00 -0.64 0.00 0.00 41.12 40.14 2k20 n ASP 41 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2k20 h LEU 42 N 14.96 0.00 0.00 0.64 3.38 0.21 -3.45 115.31 131.06 2k20 h LEU 42 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2k20 h LEU 42 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2k20 h LEU 42 CO 1.08 0.22 0.00 0.61 0.09 0.00 0.00 178.44 180.43 2k20 n GLY 43 N -0.33 0.90 3.66 0.83 0.00 -1.23 -4.96 105.19 104.06 2k20 n GLY 43 Ca -0.01 -2.15 -0.35 0.00 0.00 0.00 0.00 46.02 43.51 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 -0.99 4.72 0.06 -0.61 -0.00 -1.26 -1.90 121.20 121.22 2k20 s ILE 44 Ca 0.00 -0.07 0.08 0.00 -0.00 0.00 0.00 60.65 60.67 2k20 s ILE 44 Cb 0.00 -3.09 -0.03 0.00 -0.00 0.00 0.00 42.46 39.34 2k20 s ILE 44 CO 0.00 0.51 -0.23 -0.36 -0.00 0.00 0.00 174.94 174.86 2k20 s PHE 45 N -0.04 2.05 -0.37 1.37 0.40 -0.95 -0.74 117.98 119.71 2k20 s PHE 45 Ca 0.06 -0.39 -0.27 0.00 -0.60 0.00 0.00 56.93 55.73 2k20 s PHE 45 Cb -0.12 -1.21 -0.06 0.00 0.51 0.00 0.00 43.02 42.14 2k20 s PHE 45 CO 0.01 0.13 2.28 0.08 0.70 0.00 0.00 175.22 178.42 2k20 s VAL 46 N -0.85 3.04 0.09 -0.44 1.01 -0.68 -2.28 120.40 120.30 2k20 s VAL 46 Ca 0.10 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.02 2k20 s VAL 46 Cb -0.09 -3.08 -0.23 0.00 0.00 0.00 0.00 36.38 32.98 2k20 s VAL 46 CO 0.02 -0.06 1.21 0.50 0.00 0.00 0.00 175.10 176.77 2k20 h LYS 47 N 17.13 0.53 -1.25 2.72 1.63 0.77 0.48 116.57 138.58 2k20 h LYS 47 Ca -0.32 -0.62 0.15 0.00 -0.85 0.00 0.00 60.65 59.00 2k20 h LYS 47 Cb 1.25 0.19 -0.24 0.00 -0.60 0.00 0.00 32.23 32.82 2k20 h LYS 47 CO 1.07 1.24 0.23 0.45 -3.45 0.00 0.00 179.45 178.99 2k20 s SER 48 N -7.23 -0.62 -0.14 4.20 0.15 -0.83 -4.84 113.70 104.40 2k20 s SER 48 Ca -0.08 0.89 -0.21 0.00 0.70 0.00 0.00 55.95 57.26 2k20 s SER 48 Cb 0.07 1.60 -0.03 0.00 -1.71 0.00 0.00 66.02 65.95 2k20 s SER 48 CO 0.90 -0.13 0.59 -0.63 1.20 0.00 0.00 173.24 175.17 2k20 s ILE 49 N 2.19 5.09 -0.33 6.45 1.01 -1.26 0.10 121.20 134.46 2k20 s ILE 49 Ca -0.05 1.17 -0.28 0.00 0.00 0.00 0.00 60.65 61.49 2k20 s ILE 49 Cb -0.06 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.46 2k20 s ILE 49 CO -0.17 0.22 1.90 -0.63 0.00 0.00 0.00 174.94 176.26 2k20 s ILE 50 N 1.17 3.37 -0.86 2.92 1.09 0.28 -4.85 121.20 124.31 2k20 s ILE 50 Ca 0.30 0.36 -0.26 0.00 -1.10 0.00 0.00 60.65 59.95 2k20 s ILE 50 Cb -0.16 -3.52 -0.21 0.00 -1.06 0.00 0.00 42.46 37.51 2k20 s ILE 50 CO 0.12 -0.35 1.93 -0.46 -0.10 0.00 0.00 174.94 176.09 2k20 n ASN 51 N 10.86 1.93 0.00 3.58 6.94 -1.26 -1.09 115.26 136.21 2k20 n ASN 51 Ca 0.24 -2.58 0.00 0.00 -0.02 0.00 0.00 54.58 52.23 2k20 n ASN 51 Cb 0.47 -1.41 0.00 0.00 -2.36 0.00 0.00 39.78 36.48 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 5.59 0.35 3.83 4.83 0.00 -1.26 -5.07 105.19 113.45 2k20 n GLY 52 Ca 0.45 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.17 2k20 n GLY 52 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k20 s GLY 53 N 0.00 1.66 0.25 -0.02 0.00 -0.25 -4.69 107.32 104.27 2k20 s GLY 53 Ca 0.00 -0.88 -0.05 0.00 0.00 0.00 0.00 44.72 43.79 2k20 s GLY 53 CO 0.00 -0.19 1.65 0.00 0.00 0.00 0.00 173.10 174.56 2k20 h ALA 54 N -1.68 0.92 -0.73 3.20 0.00 0.19 -0.15 119.26 121.01 2k20 h ALA 54 Ca -0.46 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2k20 h ALA 54 Cb 1.29 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 19.38 2k20 h ALA 54 CO 0.48 -0.41 0.37 0.00 0.00 0.00 0.00 179.25 179.70 2k20 h ALA 55 N 1.69 1.28 -0.24 0.00 0.00 -1.62 -1.04 119.26 119.33 2k20 h ALA 55 Ca 0.44 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 55.10 2k20 h ALA 55 Cb 0.79 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2k20 h ALA 55 CO -0.61 0.57 -0.32 1.03 0.00 0.00 0.00 179.25 179.92 2k20 h SER 56 N 1.03 0.69 0.46 0.00 0.87 -1.24 -3.03 113.55 112.33 2k20 h SER 56 Ca 0.26 -0.50 -0.04 0.00 -1.23 0.00 0.00 61.79 60.27 2k20 h SER 56 Cb 0.07 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 2k20 h SER 56 CO -0.04 1.06 -0.19 0.07 -0.53 0.00 0.00 176.83 177.20 2k20 h LYS 57 N 0.34 0.00 -0.03 2.24 -0.00 -0.94 -3.10 116.57 115.09 2k20 h LYS 57 Ca 0.03 0.00 0.03 0.00 -0.00 0.00 0.00 60.65 60.71 2k20 h LYS 57 Cb 0.90 0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 33.09 2k20 h LYS 57 CO 0.07 0.19 -0.19 -0.44 -0.00 0.00 0.00 179.45 179.08 2k20 h ASP 58 N 0.00 -0.57 0.00 7.07 5.19 -1.06 -3.47 116.42 123.58 2k20 h ASP 58 Ca -0.00 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 2k20 h ASP 58 Cb 0.47 0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.23 2k20 h ASP 58 CO 0.03 -0.25 0.00 0.61 -3.12 0.00 0.00 179.24 176.50 2k20 n GLY 59 N -1.32 0.75 0.00 2.75 0.00 -1.17 -4.88 105.19 101.31 2k20 n GLY 59 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.21 -0.55 -3.86 1.61 1.74 -1.26 -5.02 116.66 107.10 2k20 n ARG 60 Ca 0.00 -0.54 -0.36 0.00 -0.77 0.00 0.00 57.85 56.18 2k20 n ARG 60 Cb 0.00 -0.95 -0.07 0.00 -1.02 0.00 0.00 32.46 30.42 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 -0.09 4.27 -0.05 0.55 1.02 -1.26 -5.06 118.68 118.06 2k20 s LEU 61 Ca 0.00 0.36 -0.09 0.00 0.02 0.00 0.00 54.13 54.42 2k20 s LEU 61 Cb 0.00 -2.06 0.02 0.00 0.02 0.00 0.00 46.19 44.17 2k20 s LEU 61 CO 0.00 0.32 0.21 0.00 0.02 0.00 0.00 176.35 176.91 2k20 s ARG 62 N -0.52 0.38 0.45 1.70 3.03 -1.26 -4.93 118.95 117.80 2k20 s ARG 62 Ca 0.12 0.06 -0.25 0.00 2.03 0.00 0.00 55.73 57.69 2k20 s ARG 62 Cb -0.12 0.17 -0.08 0.00 -1.03 0.00 0.00 34.95 33.89 2k20 s ARG 62 CO 0.02 -0.07 1.40 0.28 -1.13 0.00 0.00 175.30 175.79 2k20 n VAL 63 N 2.33 2.80 -0.49 4.99 0.31 -1.26 -2.92 118.33 124.09 2k20 n VAL 63 Ca -0.17 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.66 2k20 n VAL 63 Cb 0.57 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 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 -0.14 -1.46 -4.62 4.52 3.02 0.17 -4.93 115.26 111.81 2k20 n ASN 64 Ca 0.06 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.21 2k20 n ASN 64 Cb 0.41 -0.24 -0.08 0.00 -0.61 0.00 0.00 39.78 39.26 2k20 n ASN 64 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2k20 s ASP 65 N -2.12 6.38 0.19 6.41 -1.08 -1.15 -4.75 116.67 120.55 2k20 s ASP 65 Ca 0.00 0.45 -0.30 0.00 -0.52 0.00 0.00 52.55 52.18 2k20 s ASP 65 Cb 0.00 -2.25 -0.08 0.00 -1.46 0.00 0.00 42.92 39.13 2k20 s ASP 65 CO 0.00 -0.22 1.01 -1.58 0.52 0.00 0.00 175.17 174.90 2k20 s GLN 66 N 2.06 4.71 0.01 4.34 2.00 -0.71 -1.68 119.66 130.39 2k20 s GLN 66 Ca 0.19 1.58 -0.14 0.00 -2.00 0.00 0.00 55.36 54.99 2k20 s GLN 66 Cb -0.16 -3.30 -0.06 0.00 0.80 0.00 0.00 33.01 30.30 2k20 s GLN 66 CO 0.09 0.26 0.40 -0.51 -0.50 0.00 0.00 175.29 175.04 2k20 s LEU 67 N -0.62 4.45 0.00 3.68 1.43 0.08 0.71 118.68 128.41 2k20 s LEU 67 Ca 0.46 0.93 0.00 0.00 -1.03 0.00 0.00 54.13 54.48 2k20 s LEU 67 Cb -0.27 -2.65 0.00 0.00 0.03 0.00 0.00 46.19 43.30 2k20 s LEU 67 CO 0.33 0.30 0.00 -0.38 0.23 0.00 0.00 176.35 176.83 2k20 n ILE 68 N 1.65 0.00 -4.01 -0.59 -0.00 0.15 -4.55 119.36 112.01 2k20 n ILE 68 Ca -0.13 0.00 -0.10 0.00 -0.00 0.00 0.00 62.75 62.52 2k20 n ILE 68 Cb 0.52 -0.50 -0.11 0.00 -0.00 0.00 0.00 39.64 39.55 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 -1.79 0.25 -0.05 -1.39 0.00 -0.92 0.14 121.76 118.00 2k20 s ALA 69 Ca 0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 51.96 51.25 2k20 s ALA 69 Cb 0.00 0.14 0.03 0.00 0.00 0.00 0.00 23.12 23.29 2k20 s ALA 69 CO 0.00 -0.15 0.07 0.54 0.00 0.00 0.00 175.76 176.22 2k20 s VAL 70 N -1.69 -0.13 -1.80 0.00 0.11 0.56 -0.97 120.40 116.48 2k20 s VAL 70 Ca -0.12 0.40 0.00 0.00 -2.93 0.00 0.00 61.98 59.32 2k20 s VAL 70 Cb -0.08 -0.18 0.00 0.00 -1.53 0.00 0.00 36.38 34.58 2k20 s VAL 70 CO -0.02 0.16 0.00 0.59 -3.33 0.00 0.00 175.10 172.50 2k20 n ASN 71 N 5.30 -5.66 0.00 3.54 3.02 0.15 -1.26 115.26 120.36 2k20 n ASN 71 Ca -0.03 0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 2k20 n ASN 71 Cb 0.50 -4.73 0.00 0.00 -0.61 0.00 0.00 39.78 34.94 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 0.55 2.97 7.41 0.00 -1.26 -4.90 105.19 109.04 2k20 n GLY 72 Ca -0.23 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.05 1.89 0.65 1.61 2.02 -0.39 -5.12 118.70 117.31 2k20 s GLU 73 Ca 0.00 -0.74 -0.18 0.00 0.02 0.00 0.00 54.97 54.06 2k20 s GLU 73 Cb 0.00 -2.30 -0.01 0.00 0.10 0.00 0.00 34.13 31.92 2k20 s GLU 73 CO 0.00 -0.42 1.30 -1.54 0.02 0.00 0.00 175.26 174.62 2k20 s SER 74 N 1.46 4.60 -0.04 -0.19 1.04 -1.26 -0.33 113.70 118.98 2k20 s SER 74 Ca -0.00 2.63 0.04 0.00 0.48 0.00 0.00 55.95 59.10 2k20 s SER 74 Cb -0.16 -2.62 -0.06 0.00 0.10 0.00 0.00 66.02 63.29 2k20 s SER 74 CO -0.08 -2.01 0.02 0.18 0.98 0.00 0.00 173.24 172.33 2k20 n LEU 75 N -1.90 0.00 -0.26 2.42 4.77 0.36 -4.64 117.00 117.76 2k20 n LEU 75 Ca 0.16 0.00 0.19 0.00 -0.03 0.00 0.00 56.01 56.33 2k20 n LEU 75 Cb 0.48 0.11 0.51 0.00 -2.33 0.00 0.00 43.42 42.19 2k20 n LEU 75 CO 0.47 0.11 1.22 -0.07 -1.33 0.00 0.00 177.39 177.79 2k20 h LEU 76 N 0.00 0.42 -2.65 2.23 3.38 -1.86 0.33 115.31 117.16 2k20 h LEU 76 Ca -0.12 0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.91 2k20 h LEU 76 Cb 1.25 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 2k20 h LEU 76 CO 0.01 0.16 0.09 1.23 0.09 0.00 0.00 178.44 180.01 2k20 h GLY 77 N 0.41 0.00 -2.12 0.83 0.00 -1.91 -3.42 103.07 96.86 2k20 h GLY 77 Ca 0.49 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 47.22 2k20 h GLY 77 CO -0.19 0.00 -0.72 -1.59 0.00 0.00 0.00 176.54 174.03 2k20 s LYS 78 N -4.26 1.71 0.97 4.80 -2.85 0.12 -5.13 119.74 115.09 2k20 s LYS 78 Ca -0.05 -1.83 -0.11 0.00 -1.00 0.00 0.00 55.97 52.99 2k20 s LYS 78 Cb 0.13 -1.68 0.17 0.00 -2.06 0.00 0.00 37.83 34.39 2k20 s LYS 78 CO 0.42 0.24 1.07 0.00 0.10 0.00 0.00 175.35 177.18 2k20 n ALA 79 N -0.67 -1.34 -0.24 0.59 0.00 -1.26 -4.57 120.51 113.02 2k20 n ALA 79 Ca -0.05 -0.68 -0.01 0.00 0.00 0.00 0.00 53.44 52.69 2k20 n ALA 79 Cb 0.62 -2.13 0.10 0.00 0.00 0.00 0.00 19.45 18.03 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 -2.04 0.58 -0.53 0.00 7.08 -1.89 0.82 115.58 119.60 2k20 h ASN 80 Ca -0.47 0.03 -0.05 0.00 -3.08 0.00 0.00 56.30 52.73 2k20 h ASN 80 Cb 1.28 -0.09 -0.02 0.00 -2.08 0.00 0.00 38.32 37.41 2k20 h ASN 80 CO 0.42 0.38 0.13 0.06 -2.08 0.00 0.00 177.43 176.34 2k20 h GLN 81 N 0.72 0.85 -0.08 4.14 -0.00 -1.95 0.18 115.11 118.96 2k20 h GLN 81 Ca 0.30 -0.20 -0.11 0.00 -0.00 0.00 0.00 58.65 58.64 2k20 h GLN 81 Cb 0.18 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.48 27.53 2k20 h GLN 81 CO -0.18 0.81 -0.46 0.93 -0.00 0.00 0.00 178.83 179.93 2k20 h GLU 82 N 0.75 0.20 -0.04 0.06 4.39 -1.73 -2.20 114.58 116.01 2k20 h GLU 82 Ca 0.17 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 2k20 h GLU 82 Cb 0.34 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2k20 h GLU 82 CO 0.00 0.62 -0.03 0.00 -1.16 0.00 0.00 179.01 178.44 2k20 h ALA 83 N 1.36 0.06 -0.32 3.43 0.00 0.11 0.81 119.26 124.71 2k20 h ALA 83 Ca 0.01 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.68 2k20 h ALA 83 Cb 0.88 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2k20 h ALA 83 CO 0.07 -0.17 0.21 0.00 0.00 0.00 0.00 179.25 179.36 2k20 h MET 84 N -0.35 0.38 0.02 0.00 -0.00 -0.60 0.12 114.93 114.50 2k20 h MET 84 Ca 0.01 -0.02 -0.21 0.00 -0.00 0.00 0.00 59.70 59.48 2k20 h MET 84 Cb 0.52 -0.09 -0.02 0.00 -0.00 0.00 0.00 31.60 32.01 2k20 h MET 84 CO 0.01 0.25 -0.96 1.05 -0.00 0.00 0.00 176.91 177.27 2k20 h GLU 85 N 0.39 0.08 -0.25 -0.10 4.11 -1.29 -1.31 114.58 116.22 2k20 h GLU 85 Ca 0.12 -0.11 -0.14 0.00 0.07 0.00 0.00 59.36 59.30 2k20 h GLU 85 Cb 0.01 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2k20 h GLU 85 CO -0.03 0.97 -0.43 1.15 0.07 0.00 0.00 179.01 180.74 2k20 h THR 86 N 0.03 1.30 0.08 -1.06 2.02 0.83 -1.32 112.91 114.80 2k20 h THR 86 Ca -0.03 -1.62 -0.25 0.00 0.77 0.00 0.00 66.41 65.28 2k20 h THR 86 Cb 1.65 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 69.64 2k20 h THR 86 CO 0.13 0.51 -1.13 0.17 0.37 0.00 0.00 175.52 175.57 2k20 h LEU 87 N 0.49 0.40 -0.25 2.58 8.10 -0.86 -1.54 115.31 124.24 2k20 h LEU 87 Ca 0.04 -0.40 -0.00 0.00 0.11 0.00 0.00 57.88 57.63 2k20 h LEU 87 Cb 0.95 -0.13 -0.01 0.00 -0.44 0.00 0.00 40.66 41.03 2k20 h LEU 87 CO 0.09 1.27 0.14 -0.09 -4.11 0.00 0.00 178.44 175.74 2k20 h ARG 88 N 0.10 0.34 -0.12 0.17 2.43 -1.11 0.16 114.38 116.35 2k20 h ARG 88 Ca -0.11 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 58.88 2k20 h ARG 88 Cb 1.83 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 31.32 2k20 h ARG 88 CO 0.18 0.28 -0.51 0.07 -1.51 0.00 0.00 179.97 178.49 2k20 h ARG 89 N 0.30 0.55 0.00 0.20 -0.00 -1.31 -1.53 114.38 112.59 2k20 h ARG 89 Ca 0.09 -0.44 -0.01 0.00 -0.00 0.00 0.00 59.98 59.62 2k20 h ARG 89 Cb 0.03 0.09 -0.00 0.00 -0.00 0.00 0.00 29.97 30.09 2k20 h ARG 89 CO -0.02 1.06 -0.06 0.66 -0.00 0.00 0.00 179.97 181.61 2k20 h SER 90 N 0.16 0.00 0.43 0.08 4.64 -1.16 0.32 113.55 118.03 2k20 h SER 90 Ca -0.03 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.98 2k20 h SER 90 Cb 1.15 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 2k20 h SER 90 CO 0.11 0.06 -1.62 0.00 -0.87 0.00 0.00 176.83 174.51 2k20 h MET 91 N 0.00 0.18 -0.71 4.77 -0.00 -0.65 0.69 114.93 119.21 2k20 h MET 91 Ca -0.00 -0.32 -0.26 0.00 -0.00 0.00 0.00 59.70 59.13 2k20 h MET 91 Cb 0.12 0.12 -0.15 0.00 -0.00 0.00 0.00 31.60 31.68 2k20 h MET 91 CO 0.01 0.99 0.29 0.45 -0.00 0.00 0.00 176.91 178.65 2k20 n SER 92 N -3.36 4.30 0.00 -0.10 2.88 -0.58 -2.72 113.62 114.03 2k20 n SER 92 Ca -0.18 -3.35 0.00 0.00 -1.33 0.00 0.00 58.87 54.01 2k20 n SER 92 Cb 1.04 -0.74 0.00 0.00 -0.75 0.00 0.00 64.21 63.76 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 -0.49 0.00 -0.01 2.46 5.66 0.07 -4.93 114.28 117.04 2k20 n THR 93 Ca 0.42 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.39 2k20 n THR 93 Cb 1.37 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 70.14 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 -1.17 0.23 0.14 1.09 1.02 -0.89 -4.28 120.64 116.79 2k20 n GLU 94 Ca 0.00 0.09 0.17 0.00 -0.02 0.00 0.00 57.16 57.40 2k20 n GLU 94 Cb 0.00 -0.90 0.76 0.00 -0.02 0.00 0.00 31.44 31.28 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 -0.43 0.00 1.71 0.62 0.00 0.22 0.28 103.07 105.48 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 0.34 -1.01 0.19 -0.00 -1.72 0.36 115.58 113.73 2k20 h ASN 96 Ca 0.13 -0.29 0.41 0.00 -0.00 0.00 0.00 56.30 56.55 2k20 h ASN 96 Cb 0.64 -0.10 -0.17 0.00 -0.00 0.00 0.00 38.32 38.68 2k20 h ASN 96 CO -0.00 1.13 0.56 0.29 -0.00 0.00 0.00 177.43 179.41 2k20 n LYS 97 N -3.63 -0.06 -0.07 6.67 5.02 0.09 0.68 118.16 126.86 2k20 n LYS 97 Ca -0.05 1.32 -0.04 0.00 -2.02 0.00 0.00 58.31 57.52 2k20 n LYS 97 Cb 0.87 -2.40 -0.16 0.00 -0.02 0.00 0.00 35.03 33.32 2k20 n LYS 97 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2k20 n ARG 98 N -5.12 0.68 0.00 1.97 3.00 -1.24 -4.99 116.66 110.95 2k20 n ARG 98 Ca 0.37 -0.05 0.00 0.00 -0.01 0.00 0.00 57.85 58.16 2k20 n ARG 98 Cb 1.28 -1.53 0.00 0.00 0.00 0.00 0.00 32.46 32.21 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 1.61 1.01 3.44 -0.13 0.00 0.21 -5.05 105.19 106.29 2k20 n GLY 99 Ca -0.25 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.63 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 0.74 0.03 1.61 0.23 0.12 -0.44 119.30 121.58 2k20 s MET 100 Ca 0.00 0.54 0.05 0.00 -1.03 0.00 0.00 55.69 55.25 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 -0.14 -0.10 -1.50 -2.03 0.00 0.00 175.02 171.24 2k20 s ILE 101 N -0.23 3.36 0.27 3.16 2.07 0.12 -4.41 121.20 125.55 2k20 s ILE 101 Ca -0.04 -0.95 -0.24 0.00 -1.41 0.00 0.00 60.65 58.00 2k20 s ILE 101 Cb -0.03 -2.46 -0.09 0.00 0.13 0.00 0.00 42.46 40.00 2k20 s ILE 101 CO 0.03 0.35 0.86 -1.58 -1.91 0.00 0.00 174.94 172.69 2k20 s GLN 102 N -1.51 4.50 0.05 3.50 -0.44 -1.26 -0.34 119.66 124.17 2k20 s GLN 102 Ca 0.17 1.19 0.03 0.00 -2.50 0.00 0.00 55.36 54.25 2k20 s GLN 102 Cb -0.11 -2.89 -0.03 0.00 -1.64 0.00 0.00 33.01 28.34 2k20 s GLN 102 CO 0.08 0.35 -0.10 -0.51 0.50 0.00 0.00 175.29 175.61 2k20 s LEU 103 N -1.90 2.25 -0.14 3.68 2.01 0.16 0.35 118.68 125.09 2k20 s LEU 103 Ca 0.46 -0.56 -0.04 0.00 0.01 0.00 0.00 54.13 54.00 2k20 s LEU 103 Cb -0.19 -0.31 0.05 0.00 0.01 0.00 0.00 46.19 45.75 2k20 s LEU 103 CO 0.24 -0.14 0.08 -0.63 1.01 0.00 0.00 176.35 176.90 2k20 s ILE 104 N -1.29 -0.02 0.41 -0.59 1.01 -0.14 -0.38 121.20 120.20 2k20 s ILE 104 Ca -0.06 -0.07 0.04 0.00 0.00 0.00 0.00 60.65 60.56 2k20 s ILE 104 Cb -0.10 -0.53 -0.05 0.00 0.01 0.00 0.00 42.46 41.79 2k20 s ILE 104 CO 0.01 -0.16 0.04 0.68 0.00 0.00 0.00 174.94 175.51 2k20 s VAL 105 N 2.11 1.39 -0.12 2.92 -7.23 -0.38 0.33 120.40 119.43 2k20 s VAL 105 Ca 0.02 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.12 2k20 s VAL 105 Cb -0.15 -2.67 0.04 0.00 0.56 0.00 0.00 36.38 34.16 2k20 s VAL 105 CO -0.08 0.00 0.29 0.00 -0.31 0.00 0.00 175.10 175.00 2k20 s ALA 106 N -2.98 -0.69 0.35 1.32 0.00 0.22 0.57 121.76 120.55 2k20 s ALA 106 Ca 0.27 1.06 0.07 0.00 0.00 0.00 0.00 51.96 53.36 2k20 s ALA 106 Cb 0.07 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 2k20 s ALA 106 CO 0.14 -0.20 0.27 2.89 0.00 0.00 0.00 175.76 178.86 2k20 n ARG 107 N 3.91 0.44 -4.98 0.00 -4.01 -0.81 -1.73 116.66 109.47 2k20 n ARG 107 Ca -0.22 -3.45 -0.32 0.00 -1.04 0.00 0.00 57.85 52.82 2k20 n ARG 107 Cb 0.55 2.68 -0.15 0.00 -3.04 0.00 0.00 32.46 32.49 2k20 n ARG 107 CO 0.00 0.00 0.00 0.50 -3.04 0.00 0.00 177.63 175.09 2k20 s ARG 108 N -3.43 3.04 0.58 2.89 6.06 -1.26 -1.72 118.95 125.12 2k20 s ARG 108 Ca 0.38 -0.77 0.28 0.00 -2.50 0.00 0.00 55.73 53.12 2k20 s ARG 108 Cb 0.02 -2.44 1.76 0.00 0.06 0.00 0.00 34.95 34.35 2k20 s ARG 108 CO 0.27 0.29 2.23 0.82 -2.50 0.00 0.00 175.30 176.41 2k20 h ILE 109 N 5.27 0.57 0.00 4.11 2.04 -1.83 -3.49 117.51 124.18 2k20 h ILE 109 Ca -0.28 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.58 2k20 h ILE 109 Cb 1.20 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 2k20 h ILE 109 CO 0.51 0.00 0.00 -0.24 0.00 0.00 0.00 178.15 178.42