#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ko3 s ARG 2 N 0.00 2.77 -0.07 2.12 0.52 -0.53 -1.58 118.95 122.18 3ko3 s ARG 2 Ca 0.00 -0.71 -0.03 0.00 -0.52 0.00 0.00 55.73 54.46 3ko3 s ARG 2 Cb 0.00 -2.66 0.04 0.00 0.52 0.00 0.00 34.95 32.85 3ko3 s ARG 2 CO 0.00 0.57 0.16 0.54 0.02 0.00 0.00 175.30 176.60 3ko3 s VAL 3 N -1.30 -0.06 -0.32 3.52 0.11 -0.07 -1.52 120.40 120.77 3ko3 s VAL 3 Ca 0.26 0.18 -0.09 0.00 -2.93 0.00 0.00 61.98 59.40 3ko3 s VAL 3 Cb -0.12 -0.27 0.01 0.00 -1.53 0.00 0.00 36.38 34.47 3ko3 s VAL 3 CO 0.18 0.07 0.14 -0.69 -3.33 0.00 0.00 175.10 171.48 3ko3 s VAL 4 N 1.23 4.37 -0.29 2.04 1.01 -0.57 -1.79 120.40 126.39 3ko3 s VAL 4 Ca -0.09 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.19 3ko3 s VAL 4 Cb -0.11 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 3ko3 s VAL 4 CO -0.06 -0.00 0.11 -0.63 0.00 0.00 0.00 175.10 174.52 3ko3 s ILE 5 N 1.56 4.33 -0.05 2.22 1.01 1.00 -0.93 121.20 130.33 3ko3 s ILE 5 Ca 0.03 -0.47 0.04 0.00 0.00 0.00 0.00 60.65 60.25 3ko3 s ILE 5 Cb -0.18 -3.18 -0.02 0.00 0.01 0.00 0.00 42.46 39.09 3ko3 s ILE 5 CO 0.05 0.12 -0.16 -1.10 0.00 0.00 0.00 174.94 173.85 3ko3 s GLN 6 N 1.57 2.55 -0.15 2.79 -0.21 -0.14 -0.40 119.66 125.67 3ko3 s GLN 6 Ca 0.04 -0.72 -0.18 0.00 0.02 0.00 0.00 55.36 54.52 3ko3 s GLN 6 Cb -0.17 -2.36 -0.04 0.00 1.00 0.00 0.00 33.01 31.44 3ko3 s GLN 6 CO 0.04 0.58 0.46 0.50 -2.12 0.00 0.00 175.29 174.75 3ko3 s ARG 7 N -0.61 4.29 0.12 2.91 3.52 -0.63 -1.99 118.95 126.55 3ko3 s ARG 7 Ca 0.09 0.39 0.07 0.00 -0.13 0.00 0.00 55.73 56.15 3ko3 s ARG 7 Cb -0.11 -3.47 -0.04 0.00 -1.56 0.00 0.00 34.95 29.77 3ko3 s ARG 7 CO 0.01 0.08 -0.16 0.14 -0.81 0.00 0.00 175.30 174.56 3ko3 s VAL 8 N 0.89 1.44 -0.20 7.11 -7.23 -0.96 -0.18 120.40 121.27 3ko3 s VAL 8 Ca 0.24 -1.64 0.17 0.00 -1.81 0.00 0.00 61.98 58.94 3ko3 s VAL 8 Cb -0.15 -1.50 0.09 0.00 0.56 0.00 0.00 36.38 35.37 3ko3 s VAL 8 CO 0.09 -0.30 1.40 0.11 -0.31 0.00 0.00 175.10 176.09 3ko3 h LYS 9 N 3.72 0.00 0.00 4.82 1.79 -0.97 -3.08 116.57 122.85 3ko3 h LYS 9 Ca -0.42 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 3ko3 h LYS 9 Cb 1.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 3ko3 h LYS 9 CO 0.47 0.38 0.00 0.41 -1.08 0.00 0.00 179.45 179.63 3ko3 n GLY 10 N 1.22 1.38 3.14 3.86 0.00 -1.13 -2.41 105.19 111.26 3ko3 n GLY 10 Ca 0.01 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.16 3ko3 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ko3 s ALA 11 N -2.00 -0.70 -0.26 4.61 0.00 -0.53 -1.18 121.76 121.69 3ko3 s ALA 11 Ca 0.00 0.99 -0.03 0.00 0.00 0.00 0.00 51.96 52.92 3ko3 s ALA 11 Cb 0.00 -0.60 0.03 0.00 0.00 0.00 0.00 23.12 22.55 3ko3 s ALA 11 CO 0.00 -0.18 -0.02 0.42 0.00 0.00 0.00 175.76 175.98 3ko3 s ILE 12 N 0.76 3.10 -0.30 0.00 1.01 -0.29 -1.78 121.20 123.70 3ko3 s ILE 12 Ca -0.05 -1.01 -0.14 0.00 0.00 0.00 0.00 60.65 59.45 3ko3 s ILE 12 Cb -0.06 -2.61 -0.03 0.00 0.01 0.00 0.00 42.46 39.77 3ko3 s ILE 12 CO -0.05 0.13 0.35 -0.22 0.00 0.00 0.00 174.94 175.15 3ko3 s LEU 13 N 1.35 4.16 0.15 2.97 0.20 -0.23 -1.50 118.68 125.79 3ko3 s LEU 13 Ca -0.00 0.08 0.11 0.00 0.69 0.00 0.00 54.13 55.01 3ko3 s LEU 13 Cb -0.17 -2.36 -0.04 0.00 -0.43 0.00 0.00 46.19 43.19 3ko3 s LEU 13 CO -0.03 -0.22 -0.26 -0.44 -0.29 0.00 0.00 176.35 175.12 3ko3 s SER 14 N 1.69 3.36 0.39 3.68 0.01 0.39 -0.88 113.70 122.34 3ko3 s SER 14 Ca 0.13 -0.80 0.06 0.00 1.31 0.00 0.00 55.95 56.65 3ko3 s SER 14 Cb -0.16 -0.23 -0.07 0.00 0.21 0.00 0.00 66.02 65.77 3ko3 s SER 14 CO 0.11 0.16 0.03 0.68 0.41 0.00 0.00 173.24 174.62 3ko3 s VAL 15 N -1.30 1.66 -0.25 3.43 -7.23 -0.32 -0.87 120.40 115.52 3ko3 s VAL 15 Ca 0.17 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 58.05 3ko3 s VAL 15 Cb -0.09 -2.87 0.01 0.00 0.56 0.00 0.00 36.38 33.98 3ko3 s VAL 15 CO 0.07 0.00 1.02 -0.13 -0.31 0.00 0.00 175.10 175.75 3ko3 s ARG 16 N -3.78 4.21 -0.03 4.82 0.52 -1.26 0.41 118.95 123.84 3ko3 s ARG 16 Ca 0.34 1.25 -0.02 0.00 -0.52 0.00 0.00 55.73 56.78 3ko3 s ARG 16 Cb 0.09 -3.66 -0.01 0.00 0.52 0.00 0.00 34.95 31.89 3ko3 s ARG 16 CO 0.16 -0.67 0.16 1.57 0.02 0.00 0.00 175.30 176.54 3ko3 h LYS 17 N 7.61 -0.06 0.00 3.54 2.10 -2.00 -3.47 116.57 124.30 3ko3 h LYS 17 Ca -0.20 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.42 3ko3 h LYS 17 Cb 1.06 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.40 3ko3 h LYS 17 CO 0.98 -0.04 -0.19 1.49 -2.00 0.00 0.00 179.45 179.69 3ko3 h GLU 26 N -0.33 0.00 -6.19 0.07 4.22 -2.08 -3.50 114.58 106.76 3ko3 h GLU 26 Ca -0.01 0.00 -0.61 0.00 0.08 0.00 0.00 59.36 58.83 3ko3 h GLU 26 Cb 0.04 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.21 3ko3 h GLU 26 CO 0.01 0.19 -0.58 -0.51 -2.18 0.00 0.00 179.01 175.93 3ko3 s LEU 27 N -7.51 3.80 -0.07 1.64 1.43 -1.26 -5.03 118.68 111.68 3ko3 s LEU 27 Ca -0.02 -0.07 -0.00 0.00 -1.03 0.00 0.00 54.13 53.01 3ko3 s LEU 27 Cb 0.13 -2.45 0.02 0.00 0.03 0.00 0.00 46.19 43.93 3ko3 s LEU 27 CO 0.63 0.12 -0.04 -1.83 0.23 0.00 0.00 176.35 175.46 3ko3 s GLU 28 N -2.72 0.98 0.23 1.70 -1.05 0.16 -4.95 118.70 113.06 3ko3 s GLU 28 Ca 0.30 -0.09 -0.30 0.00 -0.15 0.00 0.00 54.97 54.73 3ko3 s GLU 28 Cb -0.11 -1.10 -0.10 0.00 -0.44 0.00 0.00 34.13 32.38 3ko3 s GLU 28 CO 0.23 -0.19 1.49 0.42 0.95 0.00 0.00 175.26 178.16 3ko3 s ILE 29 N 1.44 2.58 0.00 1.83 1.01 -1.26 -1.18 121.20 125.62 3ko3 s ILE 29 Ca -0.02 0.47 0.00 0.00 0.00 0.00 0.00 60.65 61.10 3ko3 s ILE 29 Cb -0.13 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 39.04 3ko3 s ILE 29 CO -0.03 0.06 0.00 2.30 0.00 0.00 0.00 174.94 177.27 3ko3 n ILE 30 N 2.80 0.00 -4.19 2.92 -6.64 -0.06 -4.92 119.36 109.27 3ko3 n ILE 30 Ca 0.09 0.00 -0.15 0.00 -1.77 0.00 0.00 62.75 60.92 3ko3 n ILE 30 Cb 0.39 -0.55 -0.11 0.00 -1.44 0.00 0.00 39.64 37.94 3ko3 n ILE 30 CO 0.00 0.00 0.00 -0.44 -1.77 0.00 0.00 176.55 174.34 3ko3 s SER 31 N -2.37 1.56 -0.27 7.28 0.01 -1.07 -5.03 113.70 113.80 3ko3 s SER 31 Ca 0.00 -0.81 -0.24 0.00 1.31 0.00 0.00 55.95 56.21 3ko3 s SER 31 Cb 0.00 -0.01 0.07 0.00 0.21 0.00 0.00 66.02 66.30 3ko3 s SER 31 CO 0.00 -0.24 0.74 -0.70 0.41 0.00 0.00 173.24 173.45 3ko3 s GLU 32 N -2.76 0.81 0.15 12.44 2.12 -1.26 -1.06 118.70 129.12 3ko3 s GLU 32 Ca 0.06 1.00 0.05 0.00 0.36 0.00 0.00 54.97 56.44 3ko3 s GLU 32 Cb -0.03 0.37 -0.04 0.00 0.26 0.00 0.00 34.13 34.69 3ko3 s GLU 32 CO 0.01 -0.10 -0.11 0.96 -0.54 0.00 0.00 175.26 175.47 3ko3 s ILE 33 N 0.50 1.24 0.00 -3.70 -4.36 -0.74 -4.97 121.20 109.18 3ko3 s ILE 33 Ca -0.01 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.38 3ko3 s ILE 33 Cb -0.05 -1.80 0.00 0.00 1.25 0.00 0.00 42.46 41.86 3ko3 s ILE 33 CO -0.02 -0.68 0.00 0.29 0.24 0.00 0.00 174.94 174.78 3ko3 n LYS 34 N -0.07 0.00 -2.36 0.37 4.76 -1.26 -1.46 118.16 118.13 3ko3 n LYS 34 Ca -0.11 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.91 3ko3 n LYS 34 Cb 0.60 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.76 3ko3 n LYS 34 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3ko3 s ASN 35 N -0.82 7.03 0.00 4.39 0.01 -1.01 -2.83 114.94 121.72 3ko3 s ASN 35 Ca 0.00 2.14 0.00 0.00 -0.71 0.00 0.00 52.86 54.29 3ko3 s ASN 35 Cb 0.00 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.07 3ko3 s ASN 35 CO 0.00 -0.47 0.00 0.61 -1.51 0.00 0.00 177.10 175.73 3ko3 n GLY 36 N 2.94 -0.53 3.17 0.66 0.00 -1.16 -2.01 105.19 108.26 3ko3 n GLY 36 Ca 0.08 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 45.15 3ko3 n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ko3 s LEU 37 N 0.00 1.95 -0.16 0.99 1.43 -0.44 -2.26 118.68 120.19 3ko3 s LEU 37 Ca 0.00 -0.40 -0.08 0.00 -1.03 0.00 0.00 54.13 52.61 3ko3 s LEU 37 Cb 0.00 -1.09 -0.04 0.00 0.03 0.00 0.00 46.19 45.08 3ko3 s LEU 37 CO 0.00 0.17 0.13 -0.51 0.23 0.00 0.00 176.35 176.38 3ko3 s ILE 38 N 0.04 5.46 -0.15 -0.59 2.07 -0.84 0.11 121.20 127.29 3ko3 s ILE 38 Ca -0.05 0.20 -0.01 0.00 -1.41 0.00 0.00 60.65 59.38 3ko3 s ILE 38 Cb -0.13 -3.43 0.04 0.00 0.13 0.00 0.00 42.46 39.07 3ko3 s ILE 38 CO 0.03 0.53 -0.05 0.00 -1.91 0.00 0.00 174.94 173.54 3ko3 s PHE 40 N 1.68 3.08 -0.29 0.00 0.08 -0.10 -1.57 117.98 120.85 3ko3 s PHE 40 Ca 0.02 0.03 -0.05 0.00 0.12 0.00 0.00 56.93 57.05 3ko3 s PHE 40 Cb -0.15 -3.30 0.02 0.00 -0.57 0.00 0.00 43.02 39.03 3ko3 s PHE 40 CO -0.08 -0.81 0.05 -1.17 -0.10 0.00 0.00 175.22 173.11 3ko3 s LEU 41 N 2.79 3.82 -0.23 -0.37 0.20 -0.04 -1.51 118.68 123.34 3ko3 s LEU 41 Ca 0.23 -0.86 -0.15 0.00 0.69 0.00 0.00 54.13 54.04 3ko3 s LEU 41 Cb -0.14 -1.83 -0.04 0.00 -0.43 0.00 0.00 46.19 43.75 3ko3 s LEU 41 CO 0.18 -0.21 0.37 -0.83 -0.29 0.00 0.00 176.35 175.57 3ko3 s GLY 42 N 1.43 2.00 -0.18 7.98 0.00 -0.57 -0.56 107.32 117.42 3ko3 s GLY 42 Ca 0.01 -0.67 -0.16 0.00 0.00 0.00 0.00 44.72 43.90 3ko3 s GLY 42 CO 0.01 0.83 0.42 -0.42 0.00 0.00 0.00 173.10 173.94 3ko3 s ILE 43 N 1.56 5.19 0.16 0.90 1.01 -1.26 -1.45 121.20 127.32 3ko3 s ILE 43 Ca 0.16 0.77 -0.10 0.00 0.00 0.00 0.00 60.65 61.49 3ko3 s ILE 43 Cb -0.15 -3.75 -0.07 0.00 0.01 0.00 0.00 42.46 38.50 3ko3 s ILE 43 CO 0.08 0.27 0.48 -2.28 0.00 0.00 0.00 174.94 173.49 3ko3 s HIS 44 N 1.15 3.51 0.30 3.97 2.46 -1.26 -0.85 115.29 124.57 3ko3 s HIS 44 Ca 0.21 0.85 0.33 0.00 0.47 0.00 0.00 55.06 56.91 3ko3 s HIS 44 Cb -0.15 -2.22 1.80 0.00 -0.13 0.00 0.00 32.58 31.88 3ko3 s HIS 44 CO 0.08 0.40 2.01 1.57 -2.47 0.00 0.00 174.74 176.32 3ko3 h LYS 45 N 3.12 0.00 0.00 2.88 2.10 -1.55 0.10 116.57 123.22 3ko3 h LYS 45 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 3ko3 h LYS 45 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 3ko3 h LYS 45 CO 0.68 0.00 -1.21 0.09 -2.00 0.00 0.00 179.45 177.01 3ko3 n ASN 46 N -2.69 0.86 -4.53 7.07 3.02 -1.26 -4.88 115.26 112.84 3ko3 n ASN 46 Ca -0.02 -0.55 -0.55 0.00 -0.03 0.00 0.00 54.58 53.43 3ko3 n ASN 46 Cb 0.10 1.32 -0.07 0.00 -0.61 0.00 0.00 39.78 40.52 3ko3 n ASN 46 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3ko3 n ASP 47 N -1.69 0.60 -4.99 6.41 8.00 0.02 -4.98 116.55 119.93 3ko3 n ASP 47 Ca 0.01 1.14 -0.19 0.00 0.71 0.00 0.00 54.79 56.46 3ko3 n ASP 47 Cb 0.35 -1.04 0.02 0.00 -0.02 0.00 0.00 41.12 40.42 3ko3 n ASP 47 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3ko3 s THR 48 N 0.06 2.94 0.42 -3.53 -4.23 -1.26 -5.00 115.64 105.05 3ko3 s THR 48 Ca 0.85 -0.83 0.09 0.00 -1.18 0.00 0.00 61.69 60.62 3ko3 s THR 48 Cb -1.09 -3.04 0.28 0.00 1.34 0.00 0.00 72.50 69.99 3ko3 s THR 48 CO 0.53 -0.02 2.05 -0.25 -0.54 0.00 0.00 174.62 176.39 3ko3 h TRP 49 N 0.39 0.45 -0.95 3.99 2.91 -2.00 -2.26 115.95 118.49 3ko3 h TRP 49 Ca -0.41 0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.62 3ko3 h TRP 49 Cb 1.29 -0.15 -0.05 0.00 -0.51 0.00 0.00 29.16 29.74 3ko3 h TRP 49 CO 0.39 0.27 0.60 0.93 -1.03 0.00 0.00 178.44 179.60 3ko3 h GLU 50 N 0.48 1.27 -0.30 2.65 4.39 -1.99 0.45 114.58 121.52 3ko3 h GLU 50 Ca 0.16 -0.10 0.06 0.00 0.34 0.00 0.00 59.36 59.82 3ko3 h GLU 50 Cb 0.06 -0.28 -0.06 0.00 -0.10 0.00 0.00 28.75 28.38 3ko3 h GLU 50 CO -0.04 0.87 -0.06 -0.44 -1.16 0.00 0.00 179.01 178.18 3ko3 h ASP 51 N 1.30 -0.25 0.51 1.42 3.32 -1.80 -2.22 116.42 118.69 3ko3 h ASP 51 Ca 0.34 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.47 3ko3 h ASP 51 Cb -0.10 0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3ko3 h ASP 51 CO -0.07 -0.09 -0.43 0.00 -1.72 0.00 0.00 179.24 176.93 3ko3 h ALA 52 N 1.30 -1.00 -0.95 3.45 0.00 -1.13 -2.92 119.26 118.01 3ko3 h ALA 52 Ca 0.15 -0.17 0.23 0.00 0.00 0.00 0.00 54.91 55.11 3ko3 h ALA 52 Cb 0.22 0.60 -0.18 0.00 0.00 0.00 0.00 17.79 18.43 3ko3 h ALA 52 CO -0.30 -1.09 -0.10 1.28 0.00 0.00 0.00 179.25 179.03 3ko3 n LEU 53 N -5.53 -0.22 0.25 0.00 7.99 0.08 -1.21 117.00 118.36 3ko3 n LEU 53 Ca -0.12 1.62 -0.16 0.00 -0.01 0.00 0.00 56.01 57.34 3ko3 n LEU 53 Cb 0.43 -0.54 -0.08 0.00 -0.11 0.00 0.00 43.42 43.11 3ko3 n LEU 53 CO 0.30 -1.60 0.72 0.22 -1.51 0.00 0.00 177.39 175.52 3ko3 h TYR 54 N 0.00 -0.60 -0.44 -1.77 3.20 -1.22 0.15 116.97 116.30 3ko3 h TYR 54 Ca 0.52 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.46 3ko3 h TYR 54 Cb 0.95 0.20 -0.07 0.00 1.54 0.00 0.00 36.73 39.35 3ko3 h TYR 54 CO -0.60 -0.36 -0.02 0.82 -1.64 0.00 0.00 178.16 176.36 3ko3 h ILE 55 N -0.62 0.64 0.13 1.81 1.08 -1.29 0.10 117.51 119.36 3ko3 h ILE 55 Ca -0.06 -0.03 -0.01 0.00 -0.39 0.00 0.00 64.86 64.38 3ko3 h ILE 55 Cb 0.49 0.54 0.00 0.00 -3.07 0.00 0.00 36.82 34.78 3ko3 h ILE 55 CO 0.08 0.02 -0.06 0.40 -0.69 0.00 0.00 178.15 177.90 3ko3 h ILE 56 N 0.09 0.92 -0.99 -0.67 2.04 -0.95 0.23 117.51 118.18 3ko3 h ILE 56 Ca 0.22 -0.16 0.07 0.00 1.00 0.00 0.00 64.86 65.99 3ko3 h ILE 56 Cb 0.33 1.02 -0.07 0.00 -0.74 0.00 0.00 36.82 37.36 3ko3 h ILE 56 CO -0.38 0.04 0.64 -0.09 0.00 0.00 0.00 178.15 178.35 3ko3 h ARG 57 N -0.25 1.11 0.06 2.37 2.43 -0.42 -1.89 114.38 117.80 3ko3 h ARG 57 Ca -0.02 -0.07 -0.16 0.00 -0.81 0.00 0.00 59.98 58.93 3ko3 h ARG 57 Cb 0.20 -0.25 0.02 0.00 -0.42 0.00 0.00 29.97 29.51 3ko3 h ARG 57 CO 0.03 0.73 -0.67 0.87 -1.51 0.00 0.00 179.97 179.43 3ko3 h LYS 58 N 1.14 0.34 -0.87 0.20 1.79 -0.48 -2.60 116.57 116.08 3ko3 h LYS 58 Ca 0.43 -0.45 0.12 0.00 -2.18 0.00 0.00 60.65 58.57 3ko3 h LYS 58 Cb 0.19 0.15 -0.07 0.00 -1.58 0.00 0.00 32.23 30.93 3ko3 h LYS 58 CO -0.17 1.16 0.56 0.00 -1.08 0.00 0.00 179.45 179.92 3ko3 h LEU 60 N 0.74 0.00 0.00 0.00 3.38 -1.31 -3.40 115.31 114.72 3ko3 h LEU 60 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 3ko3 h LEU 60 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3ko3 h LEU 60 CO -0.19 0.28 -0.69 0.59 0.09 0.00 0.00 178.44 178.51 3ko3 n ASN 61 N -2.87 2.68 -4.65 -0.43 4.13 -0.99 -3.82 115.26 109.31 3ko3 n ASN 61 Ca -0.03 -0.23 -0.46 0.00 1.68 0.00 0.00 54.58 55.54 3ko3 n ASN 61 Cb 0.68 1.06 -0.04 0.00 -1.54 0.00 0.00 39.78 39.94 3ko3 n ASN 61 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3ko3 n LEU 62 N -1.36 3.60 -4.54 3.41 4.77 -0.19 -4.60 117.00 118.08 3ko3 n LEU 62 Ca -0.00 0.83 -0.42 0.00 -0.03 0.00 0.00 56.01 56.39 3ko3 n LEU 62 Cb 0.05 -1.44 -0.02 0.00 -2.33 0.00 0.00 43.42 39.68 3ko3 n LEU 62 CO 0.05 -0.07 1.49 -0.13 -1.33 0.00 0.00 177.39 177.40 3ko3 s ARG 63 N 4.59 3.70 -0.19 3.23 0.52 -1.26 -4.25 118.95 125.29 3ko3 s ARG 63 Ca 0.93 -1.48 0.15 0.00 -0.52 0.00 0.00 55.73 54.82 3ko3 s ARG 63 Cb -0.58 -5.31 0.68 0.00 0.52 0.00 0.00 34.95 30.27 3ko3 s ARG 63 CO 0.47 -2.12 1.60 1.28 0.02 0.00 0.00 175.30 176.54 3ko3 n LEU 64 N 8.23 4.84 -4.09 2.53 4.77 0.34 -2.73 117.00 130.89 3ko3 n LEU 64 Ca 0.35 -2.87 -0.18 0.00 -0.03 0.00 0.00 56.01 53.28 3ko3 n LEU 64 Cb 0.49 -0.60 -0.13 0.00 -2.33 0.00 0.00 43.42 40.85 3ko3 n LEU 64 CO 0.65 0.67 -0.44 0.26 -1.33 0.00 0.00 177.39 177.21 3ko3 s TRP 65 N -2.60 0.98 0.33 -1.77 0.51 -0.79 -4.87 118.94 110.72 3ko3 s TRP 65 Ca 0.48 -0.32 -0.28 0.00 -2.12 0.00 0.00 56.10 53.87 3ko3 s TRP 65 Cb 0.37 -0.59 -0.10 0.00 -0.81 0.00 0.00 33.47 32.34 3ko3 s TRP 65 CO 0.14 0.00 1.18 -0.80 -0.51 0.00 0.00 176.95 176.96 3ko3 s ASN 66 N -0.95 6.93 -0.47 2.95 0.01 -1.26 -1.36 114.94 120.79 3ko3 s ASN 66 Ca -0.00 2.41 0.03 0.00 -0.71 0.00 0.00 52.86 54.59 3ko3 s ASN 66 Cb -0.07 -2.63 0.13 0.00 0.41 0.00 0.00 41.25 39.09 3ko3 s ASN 66 CO 0.01 -0.40 0.22 0.21 -1.51 0.00 0.00 177.10 175.63 3ko3 s ASN 67 N -0.84 4.23 0.00 -1.22 2.47 -0.40 -4.85 114.94 114.33 3ko3 s ASN 67 Ca 0.49 -2.77 0.00 0.00 0.42 0.00 0.00 52.86 51.00 3ko3 s ASN 67 Cb -0.34 -1.49 0.00 0.00 -1.45 0.00 0.00 41.25 37.97 3ko3 s ASN 67 CO 0.44 -0.26 0.00 -0.67 -3.72 0.00 0.00 177.10 172.88 3ko3 n ASP 68 N 3.41 0.00 0.00 -4.21 -0.08 -1.26 -1.84 116.55 112.57 3ko3 n ASP 68 Ca 0.05 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.33 3ko3 n ASP 68 Cb 0.34 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.80 3ko3 n ASP 68 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 3ko3 n ASN 69 N 0.00 0.00 -4.26 1.67 4.05 -1.26 -5.00 115.26 110.46 3ko3 n ASN 69 Ca 0.00 0.00 -0.28 0.00 0.45 0.00 0.00 54.58 54.75 3ko3 n ASN 69 Cb 0.00 -0.52 -0.15 0.00 1.23 0.00 0.00 39.78 40.34 3ko3 n ASN 69 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 3ko3 s LYS 70 N -0.02 1.70 0.29 1.20 1.02 -0.77 -5.16 119.74 118.00 3ko3 s LYS 70 Ca 0.00 -0.88 0.06 0.00 0.02 0.00 0.00 55.97 55.17 3ko3 s LYS 70 Cb 0.00 -1.72 -0.02 0.00 -0.52 0.00 0.00 37.83 35.57 3ko3 s LYS 70 CO 0.00 0.46 0.37 0.95 -0.92 0.00 0.00 175.35 176.21 3ko3 s THR 71 N -0.64 4.51 -0.65 2.17 -4.23 -1.26 -1.28 115.64 114.26 3ko3 s THR 71 Ca 0.09 -1.10 -0.13 0.00 -1.18 0.00 0.00 61.69 59.37 3ko3 s THR 71 Cb -0.09 -3.55 0.02 0.00 1.34 0.00 0.00 72.50 70.22 3ko3 s THR 71 CO 0.00 -0.25 0.58 0.79 -0.54 0.00 0.00 174.62 175.20 3ko3 n TRP 72 N -1.45 -2.11 0.00 3.99 7.02 -1.24 -4.87 117.44 118.77 3ko3 n TRP 72 Ca -0.05 0.87 0.00 0.00 -1.02 0.00 0.00 57.50 57.31 3ko3 n TRP 72 Cb 0.58 -2.23 0.00 0.00 -2.42 0.00 0.00 31.31 27.23 3ko3 n TRP 72 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3ko3 n ASP 73 N -1.63 0.00 -4.15 -0.99 2.03 -0.46 -4.87 116.55 106.49 3ko3 n ASP 73 Ca -0.23 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 54.81 3ko3 n ASP 73 Cb 0.65 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.89 3ko3 n ASP 73 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3ko3 s LYS 74 N -0.70 2.04 0.60 -0.67 -0.14 -0.72 -4.89 119.74 115.25 3ko3 s LYS 74 Ca 0.00 -0.65 0.05 0.00 -1.36 0.00 0.00 55.97 54.01 3ko3 s LYS 74 Cb 0.00 -1.71 0.08 0.00 -1.68 0.00 0.00 37.83 34.52 3ko3 s LYS 74 CO 0.00 0.22 0.82 0.54 -0.76 0.00 0.00 175.35 176.18 3ko3 s ASN 75 N 0.14 4.95 0.30 2.83 2.20 -1.26 -0.51 114.94 123.60 3ko3 s ASN 75 Ca -0.07 -0.53 -0.01 0.00 -0.94 0.00 0.00 52.86 51.31 3ko3 s ASN 75 Cb -0.13 -0.08 0.49 0.00 -2.00 0.00 0.00 41.25 39.53 3ko3 s ASN 75 CO 0.03 -1.41 1.94 -0.37 -2.94 0.00 0.00 177.10 174.36 3ko3 h VAL 76 N -0.00 1.13 0.35 3.54 -1.51 -1.77 -2.85 116.25 115.14 3ko3 h VAL 76 Ca -0.35 -0.37 -0.02 0.00 -1.23 0.00 0.00 66.70 64.74 3ko3 h VAL 76 Cb 1.28 -0.03 0.00 0.00 -2.13 0.00 0.00 31.29 30.42 3ko3 h VAL 76 CO 0.42 0.20 -0.17 0.11 -1.23 0.00 0.00 177.57 176.90 3ko3 h LYS 77 N 1.07 -0.46 -0.83 5.19 1.57 -1.84 0.08 116.57 121.36 3ko3 h LYS 77 Ca 0.35 0.03 0.15 0.00 -1.87 0.00 0.00 60.65 59.31 3ko3 h LYS 77 Cb 0.05 0.10 -0.15 0.00 0.08 0.00 0.00 32.23 32.31 3ko3 h LYS 77 CO -0.11 -0.17 -0.28 -0.44 -0.57 0.00 0.00 179.45 177.89 3ko3 h ASP 78 N -0.72 -1.01 -0.14 0.86 3.32 -1.83 0.62 116.42 117.53 3ko3 h ASP 78 Ca -0.05 0.26 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3ko3 h ASP 78 Cb 0.50 0.59 0.00 0.00 0.22 0.00 0.00 39.33 40.64 3ko3 h ASP 78 CO 0.08 -0.29 0.00 0.18 -1.72 0.00 0.00 179.24 177.49 3ko3 n LEU 79 N -5.51 0.87 -3.83 1.55 4.77 -1.15 -4.89 117.00 108.80 3ko3 n LEU 79 Ca 0.10 -0.41 -0.28 0.00 -0.03 0.00 0.00 56.01 55.39 3ko3 n LEU 79 Cb 0.41 -0.09 0.04 0.00 -2.33 0.00 0.00 43.42 41.45 3ko3 n LEU 79 CO -0.06 0.20 0.11 0.59 -1.33 0.00 0.00 177.39 176.91 3ko3 n ASN 80 N -0.10 -4.63 -4.85 -1.43 4.13 0.22 -4.99 115.26 103.62 3ko3 n ASN 80 Ca 0.09 -0.74 -0.22 0.00 1.68 0.00 0.00 54.58 55.39 3ko3 n ASN 80 Cb 0.16 -4.12 0.07 0.00 -1.54 0.00 0.00 39.78 34.35 3ko3 n ASN 80 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 3ko3 s TYR 81 N -3.35 2.21 0.36 3.10 2.02 -0.00 -5.04 117.35 116.65 3ko3 s TYR 81 Ca 0.57 -0.17 0.07 0.00 -0.37 0.00 0.00 57.07 57.17 3ko3 s TYR 81 Cb -0.28 -2.83 -0.02 0.00 -0.40 0.00 0.00 41.96 38.44 3ko3 s TYR 81 CO 0.81 -1.27 0.39 -1.21 -1.57 0.00 0.00 175.55 172.70 3ko3 s GLU 82 N -4.93 2.78 -0.00 -0.62 2.02 -0.85 -4.69 118.70 112.41 3ko3 s GLU 82 Ca 0.62 -1.28 0.02 0.00 0.02 0.00 0.00 54.97 54.35 3ko3 s GLU 82 Cb -0.08 -2.57 -0.01 0.00 0.10 0.00 0.00 34.13 31.58 3ko3 s GLU 82 CO 0.41 -0.02 -0.08 -0.51 0.02 0.00 0.00 175.26 175.08 3ko3 s LEU 83 N -4.11 2.03 -0.30 1.80 1.02 0.14 -1.33 118.68 117.92 3ko3 s LEU 83 Ca 0.45 -0.17 0.00 0.00 0.02 0.00 0.00 54.13 54.44 3ko3 s LEU 83 Cb -0.07 -0.39 0.07 0.00 0.02 0.00 0.00 46.19 45.82 3ko3 s LEU 83 CO 0.29 0.08 -0.01 -0.22 0.02 0.00 0.00 176.35 176.51 3ko3 s LEU 84 N -0.28 3.99 -0.31 1.79 2.96 0.12 -0.36 118.68 126.59 3ko3 s LEU 84 Ca 0.02 -1.50 -0.15 0.00 -0.22 0.00 0.00 54.13 52.28 3ko3 s LEU 84 Cb -0.03 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 3ko3 s LEU 84 CO -0.00 -0.28 0.37 -0.63 -1.32 0.00 0.00 176.35 174.49 3ko3 s ILE 85 N 1.15 5.16 -0.06 6.68 -1.09 -0.75 -0.68 121.20 131.62 3ko3 s ILE 85 Ca -0.03 0.33 0.05 0.00 -2.23 0.00 0.00 60.65 58.77 3ko3 s ILE 85 Cb -0.20 -3.76 -0.01 0.00 -1.58 0.00 0.00 42.46 36.91 3ko3 s ILE 85 CO -0.04 0.03 -0.22 -0.69 -1.23 0.00 0.00 174.94 172.80 3ko3 s VAL 86 N 2.07 1.79 0.01 2.92 1.01 -0.61 -3.91 120.40 123.68 3ko3 s VAL 86 Ca 0.14 -0.91 -0.26 0.00 0.00 0.00 0.00 61.98 60.94 3ko3 s VAL 86 Cb -0.16 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 3ko3 s VAL 86 CO 0.11 0.50 0.82 -0.55 0.00 0.00 0.00 175.10 175.98 3ko3 s SER 87 N -0.02 7.22 -0.43 3.32 0.15 -1.26 -0.86 113.70 121.81 3ko3 s SER 87 Ca -0.05 1.46 0.02 0.00 0.70 0.00 0.00 55.95 58.08 3ko3 s SER 87 Cb -0.13 -2.49 0.15 0.00 -1.71 0.00 0.00 66.02 61.84 3ko3 s SER 87 CO 0.04 -0.09 0.28 -1.10 1.20 0.00 0.00 173.24 173.56 3ko3 s GLN 88 N 0.42 1.09 0.47 5.44 -1.52 0.28 -4.85 119.66 120.99 3ko3 s GLN 88 Ca 0.42 -1.95 0.32 0.00 -1.95 0.00 0.00 55.36 52.20 3ko3 s GLN 88 Cb -0.20 -1.91 1.51 0.00 -0.22 0.00 0.00 33.01 32.19 3ko3 s GLN 88 CO 0.24 -1.24 1.96 0.27 -0.25 0.00 0.00 175.29 176.27 3ko3 h PHE 89 N 6.44 0.00 0.00 0.91 -5.15 -1.95 -2.54 116.94 114.64 3ko3 h PHE 89 Ca 0.09 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.86 3ko3 h PHE 89 Cb 0.92 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.09 3ko3 h PHE 89 CO 0.44 0.00 0.00 0.25 -2.00 0.00 0.00 178.31 177.00 3ko3 n THR 90 N -2.74 1.28 0.34 0.88 -2.24 -1.26 -2.22 114.28 108.31 3ko3 n THR 90 Ca -0.00 0.52 0.13 0.00 -2.27 0.00 0.00 64.05 62.43 3ko3 n THR 90 Cb 0.18 -1.48 0.33 0.00 -2.10 0.00 0.00 70.33 67.26 3ko3 n THR 90 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3ko3 h LEU 91 N 0.00 0.00 -3.62 3.22 3.38 -1.86 -0.85 115.31 115.58 3ko3 h LEU 91 Ca 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 3ko3 h LEU 91 Cb 0.09 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.71 3ko3 h LEU 91 CO 0.00 0.00 0.21 0.49 0.09 0.00 0.00 178.44 179.23 3ko3 n PHE 92 N -2.83 2.02 -1.52 1.13 3.72 -0.94 -4.95 117.46 114.09 3ko3 n PHE 92 Ca 0.04 -1.33 -0.49 0.00 -0.05 0.00 0.00 57.45 55.62 3ko3 n PHE 92 Cb 0.45 -0.63 -0.06 0.00 -0.94 0.00 0.00 39.48 38.31 3ko3 n PHE 92 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ko3 n GLY 93 N -0.57 0.77 3.62 1.37 0.00 -0.33 -4.48 105.19 105.57 3ko3 n GLY 93 Ca 0.39 0.88 -0.43 0.00 0.00 0.00 0.00 46.02 46.87 3ko3 n GLY 93 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ko3 s ASN 94 N 7.06 6.69 -0.01 1.61 2.47 0.26 -4.89 114.94 128.13 3ko3 s ASN 94 Ca 1.05 0.81 0.02 0.00 0.42 0.00 0.00 52.86 55.15 3ko3 s ASN 94 Cb -0.70 -2.55 0.04 0.00 -1.45 0.00 0.00 41.25 36.59 3ko3 s ASN 94 CO 0.46 -1.14 1.02 0.35 -3.72 0.00 0.00 177.10 174.07 3ko3 n THR 95 N 6.49 1.08 0.08 -5.21 -2.24 -1.26 -3.55 114.28 109.66 3ko3 n THR 95 Ca 0.13 -1.11 -0.19 0.00 -2.27 0.00 0.00 64.05 60.60 3ko3 n THR 95 Cb 0.48 0.43 -0.11 0.00 -2.10 0.00 0.00 70.33 69.03 3ko3 n THR 95 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3ko3 h LYS 96 N 0.08 0.55 0.01 -0.78 1.57 -1.96 -3.41 116.57 112.64 3ko3 h LYS 96 Ca 0.00 -0.70 0.00 0.00 -1.87 0.00 0.00 60.65 58.08 3ko3 h LYS 96 Cb 0.55 0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 3ko3 h LYS 96 CO 0.00 1.30 -0.13 -0.22 -0.57 0.00 0.00 179.45 179.83 3ko3 h LYS 97 N 0.27 -0.17 0.00 3.15 1.63 -1.91 -3.48 116.57 116.05 3ko3 h LYS 97 Ca -0.15 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.66 3ko3 h LYS 97 Cb 1.82 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 33.49 3ko3 h LYS 97 CO 0.21 -0.11 0.00 0.41 -3.45 0.00 0.00 179.45 176.51 3ko3 n GLY 98 N -1.11 4.29 0.78 5.01 0.00 -1.26 -5.02 105.19 107.87 3ko3 n GLY 98 Ca -0.02 -0.38 0.11 0.00 0.00 0.00 0.00 46.02 45.73 3ko3 n GLY 98 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ko3 n ASN 99 N 0.00 2.61 -4.45 1.61 3.02 -1.26 -4.85 115.26 111.94 3ko3 n ASN 99 Ca 0.00 -1.81 -0.36 0.00 -0.03 0.00 0.00 54.58 52.38 3ko3 n ASN 99 Cb 0.00 0.12 -0.12 0.00 -0.61 0.00 0.00 39.78 39.16 3ko3 n ASN 99 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3ko3 s LYS 100 N -1.95 3.66 0.31 3.52 2.20 -1.26 -5.10 119.74 121.13 3ko3 s LYS 100 Ca 0.24 -0.48 -0.27 0.00 -0.36 0.00 0.00 55.97 55.10 3ko3 s LYS 100 Cb 0.18 -3.30 -0.09 0.00 -1.51 0.00 0.00 37.83 33.10 3ko3 s LYS 100 CO 0.34 -0.16 0.99 -1.25 -0.36 0.00 0.00 175.35 174.91 3ko3 s PRO 101 N 1.52 4.57 0.35 4.03 0.04 -1.26 -4.91 135.00 139.34 3ko3 s PRO 101 Ca 0.06 1.47 0.09 0.00 0.04 0.00 0.00 61.00 62.66 3ko3 s PRO 101 Cb -0.15 -2.91 -0.06 0.00 0.04 0.00 0.00 34.50 31.42 3ko3 s PRO 101 CO 0.03 0.23 -0.03 0.16 0.04 0.00 0.00 177.00 177.44 3ko3 s ASP 102 N -1.40 3.99 -0.27 6.66 1.47 -1.23 -4.95 116.67 120.95 3ko3 s ASP 102 Ca 0.49 -1.09 0.22 0.00 1.18 0.00 0.00 52.55 53.35 3ko3 s ASP 102 Cb -0.23 -0.45 0.50 0.00 -0.34 0.00 0.00 42.92 42.40 3ko3 s ASP 102 CO 0.29 -0.24 1.09 0.49 0.68 0.00 0.00 175.17 177.48 3ko3 n PHE 103 N -0.90 1.26 0.72 2.11 3.72 -1.26 -0.57 117.46 122.53 3ko3 n PHE 103 Ca -0.04 -2.22 0.13 0.00 -0.05 0.00 0.00 57.45 55.27 3ko3 n PHE 103 Cb 0.63 -0.25 0.48 0.00 -0.94 0.00 0.00 39.48 39.40 3ko3 n PHE 103 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3ko3 n HIS 104 N -0.54 0.58 0.25 1.38 8.25 -1.26 -3.37 115.22 120.51 3ko3 n HIS 104 Ca 0.07 0.18 0.12 0.00 -0.26 0.00 0.00 57.72 57.83 3ko3 n HIS 104 Cb 0.80 -0.79 0.16 0.00 1.12 0.00 0.00 29.99 31.29 3ko3 n HIS 104 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3ko3 h LEU 105 N 0.00 0.00-10.17 2.41 5.85 -1.90 -3.46 115.31 108.04 3ko3 h LEU 105 Ca 0.00 -0.01 -0.50 0.00 0.84 0.00 0.00 57.88 58.21 3ko3 h LEU 105 Cb 0.60 0.00 0.09 0.00 0.37 0.00 0.00 40.66 41.72 3ko3 h LEU 105 CO 0.00 0.00 0.39 0.00 -0.34 0.00 0.00 178.44 178.49 3ko3 s ALA 106 N -3.22 2.55 0.37 1.25 0.00 -1.22 -1.86 121.76 119.63 3ko3 s ALA 106 Ca 0.06 0.59 -0.28 0.00 0.00 0.00 0.00 51.96 52.33 3ko3 s ALA 106 Cb 0.07 -3.32 -0.10 0.00 0.00 0.00 0.00 23.12 19.77 3ko3 s ALA 106 CO 0.69 -1.11 1.35 0.21 0.00 0.00 0.00 175.76 176.90 3ko3 s LYS 107 N -3.92 4.16 0.27 0.00 2.20 -0.03 -4.30 119.74 118.13 3ko3 s LYS 107 Ca 0.68 2.28 -0.31 0.00 -0.36 0.00 0.00 55.97 58.27 3ko3 s LYS 107 Cb -0.21 -2.94 -0.12 0.00 -1.51 0.00 0.00 37.83 33.06 3ko3 s LYS 107 CO 0.38 -0.38 1.64 -2.00 -0.36 0.00 0.00 175.35 174.63 3ko3 s GLU 108 N -2.02 4.11 0.00 4.03 -6.30 -1.26 -4.66 118.70 112.60 3ko3 s GLU 108 Ca 0.53 2.61 0.00 0.00 -2.50 0.00 0.00 54.97 55.61 3ko3 s GLU 108 Cb -0.41 -3.03 0.00 0.00 0.00 0.00 0.00 34.13 30.69 3ko3 s GLU 108 CO 0.54 -0.68 0.50 -2.30 0.02 0.00 0.00 175.26 173.34 3ko3 n PRO 109 N 2.68 0.00 -0.10 4.30 -0.02 -1.26 -1.96 135.00 138.64 3ko3 n PRO 109 Ca 0.10 0.08 -0.22 0.00 -2.02 0.00 0.00 63.50 61.45 3ko3 n PRO 109 Cb 0.36 -1.52 -0.12 0.00 -0.02 0.00 0.00 33.50 32.21 3ko3 n PRO 109 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3ko3 n ASN 110 N -1.00 2.00 0.11 2.55 5.03 -1.26 -3.60 115.26 119.08 3ko3 n ASN 110 Ca 0.00 0.11 -0.03 0.00 0.87 0.00 0.00 54.58 55.53 3ko3 n ASN 110 Cb 0.02 -0.67 0.15 0.00 -1.02 0.00 0.00 39.78 38.26 3ko3 n ASN 110 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 3ko3 h GLU 111 N -0.32 0.11 -0.59 3.52 5.08 -1.77 -2.90 114.58 117.71 3ko3 h GLU 111 Ca -0.55 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 57.69 3ko3 h GLU 111 Cb 1.80 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 31.04 3ko3 h GLU 111 CO -0.14 0.68 0.21 0.00 -1.00 0.00 0.00 179.01 178.76 3ko3 h ALA 112 N 1.30 0.76 -0.42 3.43 0.00 -1.59 0.17 119.26 122.92 3ko3 h ALA 112 Ca -0.01 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 3ko3 h ALA 112 Cb 1.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3ko3 h ALA 112 CO 0.09 0.41 -0.28 1.25 0.00 0.00 0.00 179.25 180.71 3ko3 h LEU 113 N 0.82 0.97 -0.31 0.00 5.85 -1.61 0.70 115.31 121.73 3ko3 h LEU 113 Ca 0.19 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 3ko3 h LEU 113 Cb 0.25 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3ko3 h LEU 113 CO -0.01 1.19 0.14 0.40 -0.34 0.00 0.00 178.44 179.81 3ko3 h ILE 114 N 0.75 1.17 0.40 4.05 2.04 -1.45 -0.07 117.51 124.41 3ko3 h ILE 114 Ca 0.08 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 3ko3 h ILE 114 Cb 0.86 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 3ko3 h ILE 114 CO 0.08 0.18 -0.28 0.15 0.00 0.00 0.00 178.15 178.27 3ko3 h PHE 115 N 0.36 -0.74 -0.43 1.37 3.04 -0.83 -1.45 116.94 118.26 3ko3 h PHE 115 Ca 0.10 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.10 3ko3 h PHE 115 Cb 0.15 0.27 -0.08 0.00 2.56 0.00 0.00 35.95 38.85 3ko3 h PHE 115 CO -0.01 -0.42 -0.55 -0.92 -2.02 0.00 0.00 178.31 174.38 3ko3 h TYR 116 N -0.67 -1.69 -0.97 0.41 5.03 0.59 -0.63 116.97 119.03 3ko3 h TYR 116 Ca -0.04 0.08 0.13 0.00 2.58 0.00 0.00 58.73 61.48 3ko3 h TYR 116 Cb 0.57 0.80 -0.08 0.00 1.55 0.00 0.00 36.73 39.56 3ko3 h TYR 116 CO -0.12 -0.49 0.61 -0.91 -1.32 0.00 0.00 178.16 175.94 3ko3 h ASN 117 N -0.38 0.85 -0.70 -2.11 2.35 -0.91 0.11 115.58 114.78 3ko3 h ASN 117 Ca 0.08 0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 3ko3 h ASN 117 Cb 0.59 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.80 3ko3 h ASN 117 CO -0.61 0.44 0.33 0.11 -1.65 0.00 0.00 177.43 176.05 3ko3 h LYS 118 N 0.90 1.02 -0.13 0.81 1.57 -0.06 -2.11 116.57 118.58 3ko3 h LYS 118 Ca 0.48 -0.15 0.03 0.00 -1.87 0.00 0.00 60.65 59.14 3ko3 h LYS 118 Cb 0.55 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 3ko3 h LYS 118 CO -0.25 0.81 -0.06 0.82 -0.57 0.00 0.00 179.45 180.20 3ko3 h ILE 119 N 0.98 0.80 -0.97 1.86 2.04 0.57 -1.90 117.51 120.89 3ko3 h ILE 119 Ca 0.24 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.21 3ko3 h ILE 119 Cb 0.13 0.80 -0.08 0.00 -0.74 0.00 0.00 36.82 36.93 3ko3 h ILE 119 CO -0.03 0.00 0.60 0.40 0.00 0.00 0.00 178.15 179.13 3ko3 h ILE 120 N -0.05 0.92 -0.61 -0.67 1.08 -0.91 0.61 117.51 117.89 3ko3 h ILE 120 Ca 0.07 -0.33 -0.07 0.00 -0.39 0.00 0.00 64.86 64.14 3ko3 h ILE 120 Cb 0.16 -0.13 -0.03 0.00 -3.07 0.00 0.00 36.82 33.75 3ko3 h ILE 120 CO -0.16 0.18 0.10 0.44 -0.69 0.00 0.00 178.15 178.01 3ko3 h ASP 121 N 0.97 0.94 -0.09 1.72 3.32 -1.05 -0.65 116.42 121.58 3ko3 h ASP 121 Ca 0.48 -0.21 -0.13 0.00 0.02 0.00 0.00 57.03 57.19 3ko3 h ASP 121 Cb 0.45 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 39.76 3ko3 h ASP 121 CO -0.26 0.94 -0.46 -0.08 -1.72 0.00 0.00 179.24 177.66 3ko3 h GLU 122 N 0.93 0.46 -1.00 3.56 4.57 -0.36 0.28 114.58 123.02 3ko3 h GLU 122 Ca 0.19 -0.38 0.30 0.00 -1.18 0.00 0.00 59.36 58.28 3ko3 h GLU 122 Cb 0.41 0.08 -0.14 0.00 -0.16 0.00 0.00 28.75 28.94 3ko3 h GLU 122 CO 0.01 1.02 0.58 0.74 -1.18 0.00 0.00 179.01 180.17 3ko3 h PHE 123 N 0.03 0.96 -0.00 0.92 0.04 0.22 -0.67 116.94 118.43 3ko3 h PHE 123 Ca -0.03 0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 3ko3 h PHE 123 Cb 1.10 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 39.00 3ko3 h PHE 123 CO 0.12 -0.10 -0.03 0.87 -0.60 0.00 0.00 178.31 178.58 3ko3 h LYS 124 N 0.41 0.03 -0.26 1.51 1.57 -0.57 -2.41 116.57 116.84 3ko3 h LYS 124 Ca 0.70 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.52 3ko3 h LYS 124 Cb 1.52 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.82 3ko3 h LYS 124 CO -0.56 0.70 0.18 -0.22 -0.57 0.00 0.00 179.45 178.99 3ko3 h LYS 125 N -0.64 0.11 0.04 3.15 3.64 -0.08 -1.25 116.57 121.54 3ko3 h LYS 125 Ca -0.00 -0.01 -0.30 0.00 -1.27 0.00 0.00 60.65 59.07 3ko3 h LYS 125 Cb 0.71 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.47 3ko3 h LYS 125 CO 0.01 0.07 -1.72 1.96 -2.27 0.00 0.00 179.45 177.50 3ko3 h GLN 126 N 0.11 0.08 0.00 1.90 4.20 -1.14 -3.42 115.11 116.84 3ko3 h GLN 126 Ca 0.12 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3ko3 h GLN 126 Cb 0.34 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.17 3ko3 h GLN 126 CO -0.01 0.73 0.00 0.98 -0.67 0.00 0.00 178.83 179.86 3ko3 n TYR 127 N -3.19 0.00 0.00 2.96 4.19 -0.91 -5.10 117.16 115.11 3ko3 n TYR 127 Ca -0.19 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.02 3ko3 n TYR 127 Cb 1.04 -0.06 0.00 0.00 0.49 0.00 0.00 39.34 40.81 3ko3 n TYR 127 CO 0.00 0.00 0.00 -1.71 0.91 0.00 0.00 176.86 176.06 3ko3 n ASN 128 N -2.26 0.00 -0.02 2.98 2.85 -0.48 -5.07 115.26 113.26 3ko3 n ASN 128 Ca 0.00 0.00 0.16 0.00 -0.11 0.00 0.00 54.58 54.63 3ko3 n ASN 128 Cb 0.00 0.00 0.90 0.00 1.24 0.00 0.00 39.78 41.92 3ko3 n ASN 128 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 3ko3 n ASP 129 N 0.00 0.06 -0.08 1.20 3.85 -1.24 -3.05 116.55 117.29 3ko3 n ASP 129 Ca 0.00 -0.90 0.14 0.00 -0.71 0.00 0.00 54.79 53.32 3ko3 n ASP 129 Cb 0.00 -0.04 0.55 0.00 -1.35 0.00 0.00 41.12 40.29 3ko3 n ASP 129 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 3ko3 n ASP 130 N -1.00 0.39 -0.03 -1.12 2.03 -1.26 -3.98 116.55 111.59 3ko3 n ASP 130 Ca 0.22 -0.32 0.05 0.00 0.52 0.00 0.00 54.79 55.26 3ko3 n ASP 130 Cb 0.14 -0.10 -0.05 0.00 -0.72 0.00 0.00 41.12 40.38 3ko3 n ASP 130 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3ko3 n LYS 131 N -1.14 3.35 -3.00 -0.67 4.76 -1.17 -4.84 118.16 115.45 3ko3 n LYS 131 Ca 0.12 -0.07 -0.43 0.00 -2.87 0.00 0.00 58.31 55.05 3ko3 n LYS 131 Cb 0.30 -1.01 -0.06 0.00 -1.84 0.00 0.00 35.03 32.42 3ko3 n LYS 131 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3ko3 s ILE 132 N -1.93 4.69 0.15 -0.18 -1.09 -1.26 -0.69 121.20 120.89 3ko3 s ILE 132 Ca 0.05 0.30 0.04 0.00 -2.23 0.00 0.00 60.65 58.80 3ko3 s ILE 132 Cb 0.08 -4.31 -0.04 0.00 -1.58 0.00 0.00 42.46 36.62 3ko3 s ILE 132 CO 0.41 -0.72 0.20 -0.54 -1.23 0.00 0.00 174.94 173.07 3ko3 s LYS 133 N 3.19 3.15 0.41 2.79 -0.14 0.51 -5.00 119.74 124.65 3ko3 s LYS 133 Ca 0.27 -0.72 0.04 0.00 -1.36 0.00 0.00 55.97 54.20 3ko3 s LYS 133 Cb -0.13 -2.81 -0.01 0.00 -1.68 0.00 0.00 37.83 33.20 3ko3 s LYS 133 CO 0.21 0.51 0.14 0.44 -0.76 0.00 0.00 175.35 175.89 3ko3 n ILE 134 N -0.35 0.00 -3.82 2.17 -5.35 -1.26 -1.82 119.36 108.93 3ko3 n ILE 134 Ca -0.08 -2.35 0.00 0.00 -0.27 0.00 0.00 62.75 60.05 3ko3 n ILE 134 Cb 0.54 0.83 0.00 0.00 -1.74 0.00 0.00 39.64 39.27 3ko3 n ILE 134 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ko3 n GLY 135 N -0.77 4.30 3.53 3.28 0.00 -1.25 -4.75 105.19 109.53 3ko3 n GLY 135 Ca -0.06 -2.19 -0.43 0.00 0.00 0.00 0.00 46.02 43.34 3ko3 n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ko3 s LYS 136 N -1.71 3.39 0.19 1.61 -0.14 -1.26 -4.96 119.74 116.85 3ko3 s LYS 136 Ca 0.00 -0.16 -0.22 0.00 -1.36 0.00 0.00 55.97 54.23 3ko3 s LYS 136 Cb 0.00 -3.99 0.11 0.00 -1.68 0.00 0.00 37.83 32.28 3ko3 s LYS 136 CO 0.00 -1.27 1.57 0.35 -0.76 0.00 0.00 175.35 175.24 3ko3 h PHE 137 N 9.11 -1.10 0.00 3.18 3.57 -1.99 -1.64 116.94 128.08 3ko3 h PHE 137 Ca -0.25 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.33 3ko3 h PHE 137 Cb 1.08 0.58 0.00 0.00 2.79 0.00 0.00 35.95 40.40 3ko3 h PHE 137 CO 0.85 -0.40 0.00 0.41 -2.23 0.00 0.00 178.31 176.94 3ko3 n GLY 138 N -1.43 -1.33 3.93 2.40 0.00 -1.26 -4.90 105.19 102.61 3ko3 n GLY 138 Ca 0.04 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 3ko3 n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ko3 s ASN 139 N -2.77 5.82 -0.05 1.61 0.02 -0.62 -5.06 114.94 113.90 3ko3 s ASN 139 Ca 0.21 -0.22 -0.30 0.00 -1.02 0.00 0.00 52.86 51.53 3ko3 s ASN 139 Cb 0.19 -1.32 -0.05 0.00 0.02 0.00 0.00 41.25 40.09 3ko3 s ASN 139 CO 0.47 -0.29 1.42 -0.47 0.02 0.00 0.00 177.10 178.24 3ko3 s TYR 140 N -2.16 2.67 0.00 2.20 5.04 -1.26 -4.96 117.35 118.88 3ko3 s TYR 140 Ca 0.40 0.74 0.07 0.00 -2.44 0.00 0.00 57.07 55.84 3ko3 s TYR 140 Cb -0.08 -3.67 -0.03 0.00 0.35 0.00 0.00 41.96 38.53 3ko3 s TYR 140 CO 0.29 -2.55 -0.21 -1.64 -1.34 0.00 0.00 175.55 170.10 3ko3 s MET 141 N 2.99 2.15 -0.25 4.97 -1.94 -1.26 -4.37 119.30 121.59 3ko3 s MET 141 Ca 0.64 -0.91 -0.07 0.00 -1.71 0.00 0.00 55.69 53.64 3ko3 s MET 141 Cb -0.29 -2.16 -0.02 0.00 2.01 0.00 0.00 34.83 34.36 3ko3 s MET 141 CO 0.24 0.56 0.05 1.21 -0.01 0.00 0.00 175.02 177.08 3ko3 s ASN 142 N -0.99 4.96 -0.24 3.03 3.04 -0.05 -4.96 114.94 119.73 3ko3 s ASN 142 Ca 0.12 -0.28 0.02 0.00 0.04 0.00 0.00 52.86 52.76 3ko3 s ASN 142 Cb -0.10 -1.88 0.06 0.00 -1.54 0.00 0.00 41.25 37.78 3ko3 s ASN 142 CO 0.02 -0.04 -0.08 -0.63 -3.04 0.00 0.00 177.10 173.33 3ko3 s ILE 143 N 1.58 1.76 -0.12 -5.21 1.01 -1.26 -0.46 121.20 118.50 3ko3 s ILE 143 Ca 0.06 -1.35 -0.28 0.00 0.00 0.00 0.00 60.65 59.08 3ko3 s ILE 143 Cb -0.15 -1.96 -0.01 0.00 0.01 0.00 0.00 42.46 40.35 3ko3 s ILE 143 CO 0.02 -0.06 0.95 -1.81 0.00 0.00 0.00 174.94 174.04 3ko3 s ASP 144 N 1.29 7.15 -0.07 3.58 1.11 -0.56 -4.90 116.67 124.27 3ko3 s ASP 144 Ca -0.07 1.41 0.04 0.00 0.18 0.00 0.00 52.55 54.12 3ko3 s ASP 144 Cb -0.19 -2.52 -0.01 0.00 1.07 0.00 0.00 42.92 41.27 3ko3 s ASP 144 CO -0.06 -0.42 -0.21 -0.69 1.18 0.00 0.00 175.17 174.97 3ko3 s VAL 145 N 2.02 2.39 -0.76 -1.27 1.01 -1.26 -1.14 120.40 121.39 3ko3 s VAL 145 Ca 0.45 -0.94 -0.15 0.00 0.00 0.00 0.00 61.98 61.34 3ko3 s VAL 145 Cb -0.18 -1.91 0.19 0.00 0.00 0.00 0.00 36.38 34.48 3ko3 s VAL 145 CO 0.16 0.57 0.74 -0.89 0.00 0.00 0.00 175.10 175.67 3ko3 s THR 146 N -0.13 5.40 0.15 3.92 2.01 -0.32 -5.02 115.64 121.65 3ko3 s THR 146 Ca -0.04 -2.09 -0.31 0.00 0.31 0.00 0.00 61.69 59.56 3ko3 s THR 146 Cb -0.14 -4.47 -0.11 0.00 0.01 0.00 0.00 72.50 67.80 3ko3 s THR 146 CO 0.04 -1.04 1.73 0.20 -0.69 0.00 0.00 174.62 174.86 3ko3 s ASN 147 N 2.69 6.45 -0.70 3.53 0.01 -1.26 -0.41 114.94 125.25 3ko3 s ASN 147 Ca 0.16 2.74 -0.07 0.00 -0.71 0.00 0.00 52.86 54.97 3ko3 s ASN 147 Cb -0.15 -2.58 0.18 0.00 0.41 0.00 0.00 41.25 39.11 3ko3 s ASN 147 CO -0.05 -0.95 0.57 -0.62 -1.51 0.00 0.00 177.10 174.53 3ko3 s ASP 148 N 1.93 5.85 0.00 -1.22 2.15 0.75 -4.69 116.67 121.45 3ko3 s ASP 148 Ca 0.76 -2.76 0.00 0.00 0.43 0.00 0.00 52.55 50.98 3ko3 s ASP 148 Cb -0.46 -2.00 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 3ko3 s ASP 148 CO 0.34 -0.46 0.00 0.61 -0.17 0.00 0.00 175.17 175.49 3ko3 n GLY 149 N 3.72 1.34 3.84 2.66 0.00 -1.26 -3.88 105.19 111.61 3ko3 n GLY 149 Ca 0.10 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 3ko3 n GLY 149 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ko3 s PRO 150 N 0.00 0.80 -0.13 1.61 0.04 -1.26 -5.17 135.00 130.89 3ko3 s PRO 150 Ca 0.00 -0.08 -0.04 0.00 0.04 0.00 0.00 61.00 60.93 3ko3 s PRO 150 Cb 0.00 -1.83 0.06 0.00 0.04 0.00 0.00 34.50 32.77 3ko3 s PRO 150 CO 0.00 -2.36 0.17 0.08 0.04 0.00 0.00 177.00 174.93 3ko3 s VAL 151 N -3.55 -0.26 -0.17 -0.36 1.01 -1.25 -5.03 120.40 110.79 3ko3 s VAL 151 Ca 0.68 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.80 3ko3 s VAL 151 Cb -0.09 -0.46 0.01 0.00 0.00 0.00 0.00 36.38 35.84 3ko3 s VAL 151 CO 0.53 -0.03 -0.16 -0.89 0.00 0.00 0.00 175.10 174.55 3ko3 s THR 152 N 2.28 2.52 -0.09 3.92 2.01 -1.26 -1.60 115.64 123.41 3ko3 s THR 152 Ca 0.04 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.26 3ko3 s THR 152 Cb -0.14 -2.07 -0.01 0.00 0.01 0.00 0.00 72.50 70.29 3ko3 s THR 152 CO -0.08 0.51 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.55 3ko3 s ILE 153 N 1.05 2.63 -0.17 1.82 -1.09 0.46 -4.93 121.20 120.97 3ko3 s ILE 153 Ca -0.01 -0.83 0.00 0.00 -2.23 0.00 0.00 60.65 57.58 3ko3 s ILE 153 Cb -0.15 -2.04 0.01 0.00 -1.58 0.00 0.00 42.46 38.70 3ko3 s ILE 153 CO -0.04 0.55 -0.16 -0.47 -1.23 0.00 0.00 174.94 173.59 3ko3 s TYR 154 N 0.04 2.80 -0.09 3.97 6.14 -1.26 -0.00 117.35 128.95 3ko3 s TYR 154 Ca -0.07 -1.28 0.02 0.00 0.64 0.00 0.00 57.07 56.38 3ko3 s TYR 154 Cb -0.15 -1.93 0.01 0.00 0.42 0.00 0.00 41.96 40.32 3ko3 s TYR 154 CO 0.05 -0.62 -0.13 0.42 0.64 0.00 0.00 175.55 175.90 3ko3 s ILE 155 N 1.10 1.29 -0.15 3.14 1.01 -0.74 -4.99 121.20 121.87 3ko3 s ILE 155 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.11 3ko3 s ILE 155 Cb -0.14 -1.19 -0.00 0.00 0.01 0.00 0.00 42.46 41.14 3ko3 s ILE 155 CO -0.05 0.40 -0.15 -0.62 0.00 0.00 0.00 174.94 174.51 3ko3 s ASP 156 N 0.85 3.68 0.47 3.58 -1.08 -1.26 -0.89 116.67 122.03 3ko3 s ASP 156 Ca -0.10 -0.45 0.26 0.00 -0.52 0.00 0.00 52.55 51.74 3ko3 s ASP 156 Cb -0.15 -1.56 0.71 0.00 -1.46 0.00 0.00 42.92 40.46 3ko3 s ASP 156 CO 0.01 0.10 1.74 0.71 0.52 0.00 0.00 175.17 178.26 3ko3 h THR 157 N 5.63 0.07 0.00 1.71 1.35 -1.67 -3.00 112.91 117.00 3ko3 h THR 157 Ca -0.31 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 64.66 3ko3 h THR 157 Cb 1.20 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.46 3ko3 h THR 157 CO 0.56 0.03 0.00 1.41 -0.25 0.00 0.00 175.52 177.27 3ko3 n HIS 158 N -3.12 0.00 1.96 4.73 8.25 -1.26 -1.89 115.22 123.89 3ko3 n HIS 158 Ca 0.03 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.50 3ko3 n HIS 158 Cb 0.46 -0.46 0.06 0.00 1.12 0.00 0.00 29.99 31.17 3ko3 n HIS 158 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3ko3 n ASP 159 N -1.46 0.07 0.00 0.41 8.00 -1.13 -5.15 116.55 117.28 3ko3 n ASP 159 Ca 0.06 -1.94 0.00 0.00 0.71 0.00 0.00 54.79 53.62 3ko3 n ASP 159 Cb 0.25 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 3ko3 n ASP 159 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43