#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 2.66 -0.02 3.17 0.52 -0.83 -1.31 118.95 123.15 3ko3 s ARG 2 Ca 0.00 -0.71 -0.05 0.00 -0.52 0.00 0.00 55.73 54.45 3ko3 s ARG 2 Cb 0.00 -2.60 0.00 0.00 0.52 0.00 0.00 34.95 32.88 3ko3 s ARG 2 CO 0.00 0.59 0.10 0.54 0.02 0.00 0.00 175.30 176.55 3ko3 s VAL 3 N -1.16 0.04 -0.27 3.52 0.11 -0.68 -0.78 120.40 121.19 3ko3 s VAL 3 Ca 0.21 -0.37 0.03 0.00 -2.93 0.00 0.00 61.98 58.92 3ko3 s VAL 3 Cb -0.12 -0.28 0.06 0.00 -1.53 0.00 0.00 36.38 34.52 3ko3 s VAL 3 CO 0.13 -0.20 -0.09 -0.69 -3.33 0.00 0.00 175.10 170.92 3ko3 s VAL 4 N -0.66 2.12 -0.22 2.04 1.01 0.86 -2.39 120.40 123.17 3ko3 s VAL 4 Ca -0.07 -1.68 -0.18 0.00 0.00 0.00 0.00 61.98 60.05 3ko3 s VAL 4 Cb -0.04 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 3ko3 s VAL 4 CO 0.00 -0.10 0.50 -0.63 0.00 0.00 0.00 175.10 174.88 3ko3 s ILE 5 N 1.11 5.11 -0.06 2.22 1.01 -0.11 -1.14 121.20 129.33 3ko3 s ILE 5 Ca -0.06 0.91 0.04 0.00 0.00 0.00 0.00 60.65 61.54 3ko3 s ILE 5 Cb -0.20 -3.83 -0.00 0.00 0.01 0.00 0.00 42.46 38.44 3ko3 s ILE 5 CO -0.06 0.16 -0.20 -1.10 0.00 0.00 0.00 174.94 173.74 3ko3 s GLN 6 N 1.79 2.27 -0.06 2.79 -0.21 -0.37 -0.63 119.66 125.25 3ko3 s GLN 6 Ca 0.23 -0.73 -0.30 0.00 0.02 0.00 0.00 55.36 54.58 3ko3 s GLN 6 Cb -0.15 -1.87 -0.02 0.00 1.00 0.00 0.00 33.01 31.97 3ko3 s GLN 6 CO 0.09 0.24 1.02 0.50 -2.12 0.00 0.00 175.29 175.02 3ko3 s ARG 7 N 0.13 4.47 0.20 2.91 3.52 -0.88 -1.01 118.95 128.29 3ko3 s ARG 7 Ca -0.08 1.44 0.10 0.00 -0.13 0.00 0.00 55.73 57.06 3ko3 s ARG 7 Cb -0.14 -3.50 -0.04 0.00 -1.56 0.00 0.00 34.95 29.70 3ko3 s ARG 7 CO 0.04 -0.23 -0.20 0.14 -0.81 0.00 0.00 175.30 174.25 3ko3 s VAL 8 N 1.62 2.10 -0.21 7.11 -7.23 -0.86 -0.19 120.40 122.74 3ko3 s VAL 8 Ca 0.51 -2.10 0.20 0.00 -1.81 0.00 0.00 61.98 58.77 3ko3 s VAL 8 Cb -0.20 -2.05 -0.00 0.00 0.56 0.00 0.00 36.38 34.69 3ko3 s VAL 8 CO 0.22 -0.32 1.08 0.11 -0.31 0.00 0.00 175.10 175.88 3ko3 h LYS 9 N 2.91 0.00 0.00 4.82 1.57 -0.99 -2.90 116.57 121.98 3ko3 h LYS 9 Ca -0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 3ko3 h LYS 9 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3ko3 h LYS 9 CO 0.54 0.16 0.00 0.41 -0.57 0.00 0.00 179.45 179.99 3ko3 n GLY 10 N 1.25 0.19 3.64 3.86 0.00 -1.25 -1.03 105.19 111.86 3ko3 n GLY 10 Ca -0.03 -0.98 -0.08 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.02 -0.10 4.61 0.00 0.03 -0.57 121.76 121.70 3ko3 s ALA 11 Ca 0.00 1.91 0.04 0.00 0.00 0.00 0.00 51.96 53.91 3ko3 s ALA 11 Cb 0.00 -1.49 -0.00 0.00 0.00 0.00 0.00 23.12 21.63 3ko3 s ALA 11 CO 0.00 -0.24 -0.24 0.42 0.00 0.00 0.00 175.76 175.70 3ko3 s ILE 12 N 0.37 2.09 -0.22 0.00 1.01 0.75 -1.66 121.20 123.55 3ko3 s ILE 12 Ca 0.02 -1.01 -0.04 0.00 0.00 0.00 0.00 60.65 59.62 3ko3 s ILE 12 Cb -0.05 -1.80 -0.01 0.00 0.01 0.00 0.00 42.46 40.62 3ko3 s ILE 12 CO -0.08 0.56 -0.05 -0.22 0.00 0.00 0.00 174.94 175.15 3ko3 s LEU 13 N 0.35 2.88 0.33 2.97 0.20 -0.07 -1.44 118.68 123.90 3ko3 s LEU 13 Ca -0.18 -0.39 0.10 0.00 0.69 0.00 0.00 54.13 54.34 3ko3 s LEU 13 Cb -0.18 -1.73 -0.06 0.00 -0.43 0.00 0.00 46.19 43.79 3ko3 s LEU 13 CO 0.09 -0.02 -0.10 -0.44 -0.29 0.00 0.00 176.35 175.59 3ko3 s SER 14 N 1.46 3.77 0.22 3.68 0.01 0.97 -0.75 113.70 123.05 3ko3 s SER 14 Ca 0.06 -1.13 0.08 0.00 1.31 0.00 0.00 55.95 56.26 3ko3 s SER 14 Cb -0.14 -0.37 -0.05 0.00 0.21 0.00 0.00 66.02 65.67 3ko3 s SER 14 CO -0.03 -0.16 -0.15 0.68 0.41 0.00 0.00 173.24 173.99 3ko3 s VAL 15 N -2.58 1.84 -0.07 3.43 -7.23 0.12 -1.67 120.40 114.26 3ko3 s VAL 15 Ca 0.32 -2.24 -0.30 0.00 -1.81 0.00 0.00 61.98 57.96 3ko3 s VAL 15 Cb 0.01 -2.10 -0.03 0.00 0.56 0.00 0.00 36.38 34.82 3ko3 s VAL 15 CO 0.17 -0.55 1.17 -0.13 -0.31 0.00 0.00 175.10 175.44 3ko3 s ARG 16 N -3.63 4.36 0.00 4.82 0.52 -1.26 0.85 118.95 124.61 3ko3 s ARG 16 Ca 0.24 1.63 0.00 0.00 -0.52 0.00 0.00 55.73 57.08 3ko3 s ARG 16 Cb -0.01 -3.56 0.00 0.00 0.52 0.00 0.00 34.95 31.90 3ko3 s ARG 16 CO 0.08 -0.43 0.00 0.36 0.02 0.00 0.00 175.30 175.33 3ko3 n LYS 17 N 5.20 0.00 0.00 3.54 2.85 -1.26 -4.84 118.16 123.66 3ko3 n LYS 17 Ca 0.11 0.04 0.00 0.00 -1.05 0.00 0.00 58.31 57.41 3ko3 n LYS 17 Cb 0.47 -0.09 0.00 0.00 -0.65 0.00 0.00 35.03 34.76 3ko3 n LYS 17 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 3ko3 n LYS 25 N 0.48 0.00 -0.06 -1.58 4.81 -1.26 -4.65 118.16 115.91 3ko3 n LYS 25 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.40 3ko3 n LYS 25 Cb 0.00 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 34.90 3ko3 n LYS 25 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 3ko3 n GLU 26 N -1.85 0.67 -3.26 1.64 2.13 -1.26 -4.89 120.64 113.82 3ko3 n GLU 26 Ca 0.00 0.01 -0.37 0.00 0.66 0.00 0.00 57.16 57.45 3ko3 n GLU 26 Cb 0.00 -1.58 -0.06 0.00 0.27 0.00 0.00 31.44 30.07 3ko3 n GLU 26 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3ko3 s LEU 27 N -5.37 4.46 -0.14 4.31 1.43 -1.26 -4.37 118.68 117.73 3ko3 s LEU 27 Ca -0.08 1.26 0.00 0.00 -1.03 0.00 0.00 54.13 54.28 3ko3 s LEU 27 Cb 0.08 -3.11 0.03 0.00 0.03 0.00 0.00 46.19 43.22 3ko3 s LEU 27 CO 0.84 0.20 -0.11 -0.70 0.23 0.00 0.00 176.35 176.81 3ko3 s GLU 28 N -1.44 1.92 0.33 1.70 2.12 0.25 -4.75 118.70 118.82 3ko3 s GLU 28 Ca 0.33 -0.48 -0.29 0.00 0.36 0.00 0.00 54.97 54.90 3ko3 s GLU 28 Cb -0.18 -1.95 -0.10 0.00 0.26 0.00 0.00 34.13 32.16 3ko3 s GLU 28 CO 0.20 -0.29 1.38 0.42 -0.54 0.00 0.00 175.26 176.43 3ko3 s ILE 29 N 1.57 2.51 -0.01 -3.70 1.01 -1.26 0.16 121.20 121.49 3ko3 s ILE 29 Ca 0.04 0.50 0.00 0.00 0.00 0.00 0.00 60.65 61.19 3ko3 s ILE 29 Cb -0.13 -3.32 -0.00 0.00 0.01 0.00 0.00 42.46 39.02 3ko3 s ILE 29 CO -0.09 0.11 0.17 2.30 0.00 0.00 0.00 174.94 177.43 3ko3 n ILE 30 N 0.94 0.00 -3.62 2.92 -5.35 0.07 -4.84 119.36 109.47 3ko3 n ILE 30 Ca 0.01 -0.50 -0.06 0.00 -0.27 0.00 0.00 62.75 61.93 3ko3 n ILE 30 Cb 0.41 1.00 -0.05 0.00 -1.74 0.00 0.00 39.64 39.25 3ko3 n ILE 30 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3ko3 s SER 31 N -0.69 -0.21 0.10 7.28 0.15 -1.16 -4.95 113.70 114.21 3ko3 s SER 31 Ca 0.00 0.30 -0.25 0.00 0.70 0.00 0.00 55.95 56.70 3ko3 s SER 31 Cb 0.00 0.26 0.08 0.00 -1.71 0.00 0.00 66.02 64.65 3ko3 s SER 31 CO 0.01 -0.15 0.66 -1.83 1.20 0.00 0.00 173.24 173.13 3ko3 s GLU 32 N -0.67 1.16 0.02 5.44 -1.05 -1.26 -0.90 118.70 121.45 3ko3 s GLU 32 Ca 0.04 -0.32 -0.22 0.00 -0.15 0.00 0.00 54.97 54.32 3ko3 s GLU 32 Cb -0.02 0.54 0.05 0.00 -0.44 0.00 0.00 34.13 34.26 3ko3 s GLU 32 CO -0.06 -0.49 0.50 0.96 0.95 0.00 0.00 175.26 177.12 3ko3 s ILE 33 N -3.21 0.03 0.00 1.83 -4.36 -0.67 -4.97 121.20 109.85 3ko3 s ILE 33 Ca -0.00 -0.27 0.00 0.00 -0.26 0.00 0.00 60.65 60.11 3ko3 s ILE 33 Cb -0.01 -0.93 0.00 0.00 1.25 0.00 0.00 42.46 42.77 3ko3 s ILE 33 CO -0.09 -0.15 0.00 0.29 0.24 0.00 0.00 174.94 175.23 3ko3 n LYS 34 N 0.61 3.51 -1.54 0.37 4.76 -1.26 -0.79 118.16 123.81 3ko3 n LYS 34 Ca -0.19 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 54.86 3ko3 n LYS 34 Cb 0.59 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.81 3ko3 n LYS 34 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3ko3 n ASN 35 N 0.00 0.03 0.00 4.39 3.02 -0.19 -3.77 115.26 118.74 3ko3 n ASN 35 Ca 0.00 0.87 0.00 0.00 -0.03 0.00 0.00 54.58 55.42 3ko3 n ASN 35 Cb 0.00 -1.26 0.00 0.00 -0.61 0.00 0.00 39.78 37.91 3ko3 n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ko3 n GLY 36 N 1.51 -0.50 3.02 7.41 0.00 -1.10 -1.56 105.19 113.98 3ko3 n GLY 36 Ca 0.11 -0.29 -0.17 0.00 0.00 0.00 0.00 46.02 45.67 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 2.07 -0.30 0.99 1.43 -0.37 -2.02 118.68 120.48 3ko3 s LEU 37 Ca 0.00 -0.24 -0.09 0.00 -1.03 0.00 0.00 54.13 52.77 3ko3 s LEU 37 Cb 0.00 -0.35 -0.00 0.00 0.03 0.00 0.00 46.19 45.86 3ko3 s LEU 37 CO 0.00 0.03 0.13 -0.51 0.23 0.00 0.00 176.35 176.23 3ko3 s ILE 38 N -0.46 4.40 -0.31 -0.59 2.07 -0.18 -0.30 121.20 125.83 3ko3 s ILE 38 Ca 0.00 -0.50 -0.13 0.00 -1.41 0.00 0.00 60.65 58.61 3ko3 s ILE 38 Cb -0.05 -3.25 -0.03 0.00 0.13 0.00 0.00 42.46 39.27 3ko3 s ILE 38 CO 0.00 0.07 0.26 0.00 -1.91 0.00 0.00 174.94 173.37 3ko3 s PHE 40 N 1.84 3.22 -0.17 0.00 0.08 -0.29 0.42 117.98 123.07 3ko3 s PHE 40 Ca 0.09 -0.03 0.00 0.00 0.12 0.00 0.00 56.93 57.11 3ko3 s PHE 40 Cb -0.16 -2.56 0.04 0.00 -0.57 0.00 0.00 43.02 39.76 3ko3 s PHE 40 CO 0.11 -0.35 -0.08 -1.17 -0.10 0.00 0.00 175.22 173.62 3ko3 s LEU 41 N 1.89 1.82 -0.18 -0.37 2.96 0.29 -0.10 118.68 124.99 3ko3 s LEU 41 Ca 0.10 -0.69 -0.10 0.00 -0.22 0.00 0.00 54.13 53.21 3ko3 s LEU 41 Cb -0.17 -1.05 -0.05 0.00 0.50 0.00 0.00 46.19 45.43 3ko3 s LEU 41 CO 0.11 -0.15 0.15 -0.83 -1.32 0.00 0.00 176.35 174.31 3ko3 s GLY 42 N 1.54 2.08 -0.31 7.98 0.00 0.04 -0.50 107.32 118.16 3ko3 s GLY 42 Ca 0.01 -0.65 -0.10 0.00 0.00 0.00 0.00 44.72 43.98 3ko3 s GLY 42 CO -0.08 0.11 0.17 -0.42 0.00 0.00 0.00 173.10 172.88 3ko3 s ILE 43 N 0.18 4.88 0.64 0.90 1.01 -1.26 -1.96 121.20 125.58 3ko3 s ILE 43 Ca 0.10 -0.24 -0.15 0.00 0.00 0.00 0.00 60.65 60.37 3ko3 s ILE 43 Cb -0.11 -3.44 -0.01 0.00 0.01 0.00 0.00 42.46 38.90 3ko3 s ILE 43 CO -0.00 0.11 1.09 -2.28 0.00 0.00 0.00 174.94 173.86 3ko3 s HIS 44 N 1.67 2.76 0.50 3.97 5.65 -1.26 -0.40 115.29 128.17 3ko3 s HIS 44 Ca 0.06 1.53 0.27 0.00 0.25 0.00 0.00 55.06 57.17 3ko3 s HIS 44 Cb -0.17 -3.10 1.58 0.00 -1.18 0.00 0.00 32.58 29.71 3ko3 s HIS 44 CO 0.08 -1.49 2.15 -0.22 -0.65 0.00 0.00 174.74 174.61 3ko3 h LYS 45 N 0.10 0.00 0.00 2.88 3.64 -1.40 -3.02 116.57 118.78 3ko3 h LYS 45 Ca -0.47 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.89 3ko3 h LYS 45 Cb 1.24 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.00 3ko3 h LYS 45 CO 0.55 0.07 -0.45 0.09 -2.27 0.00 0.00 179.45 177.44 3ko3 n ASN 46 N -3.80 1.65 -4.76 4.20 3.02 -1.26 -4.87 115.26 109.44 3ko3 n ASN 46 Ca -0.02 -3.30 -0.39 0.00 -0.03 0.00 0.00 54.58 50.83 3ko3 n ASN 46 Cb 0.17 -0.45 0.01 0.00 -0.61 0.00 0.00 39.78 38.90 3ko3 n ASN 46 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3ko3 s ASP 47 N -2.82 5.99 0.56 6.41 1.01 -1.14 -5.04 116.67 121.64 3ko3 s ASP 47 Ca 0.33 2.76 0.07 0.00 0.71 0.00 0.00 52.55 56.42 3ko3 s ASP 47 Cb 0.33 -2.64 0.06 0.00 1.01 0.00 0.00 42.92 41.67 3ko3 s ASP 47 CO -0.05 -1.08 0.57 0.42 0.21 0.00 0.00 175.17 175.24 3ko3 s THR 48 N -1.26 1.83 0.10 -1.27 -4.23 -1.26 -4.98 115.64 104.57 3ko3 s THR 48 Ca 0.61 -1.29 0.20 0.00 -1.18 0.00 0.00 61.69 60.03 3ko3 s THR 48 Cb -0.40 -2.11 0.16 0.00 1.34 0.00 0.00 72.50 71.48 3ko3 s THR 48 CO 0.51 0.00 1.71 -0.25 -0.54 0.00 0.00 174.62 176.05 3ko3 h TRP 49 N 0.50 0.00 -0.39 3.99 2.91 -1.99 -2.10 115.95 118.87 3ko3 h TRP 49 Ca -0.34 0.00 -0.08 0.00 1.13 0.00 0.00 58.89 59.61 3ko3 h TRP 49 Cb 1.30 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.93 3ko3 h TRP 49 CO 0.76 0.35 -0.07 0.93 -1.03 0.00 0.00 178.44 179.37 3ko3 h GLU 50 N 0.00 0.65 0.25 2.65 4.39 -1.99 -0.70 114.58 119.84 3ko3 h GLU 50 Ca -0.00 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.50 3ko3 h GLU 50 Cb 0.93 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 3ko3 h GLU 50 CO 0.04 0.72 -0.12 -0.44 -1.16 0.00 0.00 179.01 178.06 3ko3 h ASP 51 N 0.61 -0.29 -0.39 1.42 3.32 -1.87 -2.71 116.42 116.50 3ko3 h ASP 51 Ca 0.11 -0.06 0.08 0.00 0.02 0.00 0.00 57.03 57.18 3ko3 h ASP 51 Cb 0.49 0.07 -0.08 0.00 0.22 0.00 0.00 39.33 40.03 3ko3 h ASP 51 CO 0.03 -0.12 -0.13 0.00 -1.72 0.00 0.00 179.24 177.30 3ko3 h ALA 52 N 0.28 0.21 -0.34 3.45 0.00 -1.21 -2.26 119.26 119.37 3ko3 h ALA 52 Ca -0.03 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3ko3 h ALA 52 Cb 0.33 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3ko3 h ALA 52 CO 0.06 -0.49 0.14 -0.07 0.00 0.00 0.00 179.25 178.89 3ko3 h LEU 53 N -0.05 0.43 -0.06 0.00 3.38 -1.19 -1.12 115.31 116.71 3ko3 h LEU 53 Ca 0.19 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3ko3 h LEU 53 Cb 0.34 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3ko3 h LEU 53 CO -0.43 0.40 -0.03 0.22 0.09 0.00 0.00 178.44 178.69 3ko3 h TYR 54 N 0.48 0.14 0.37 1.13 3.20 -1.08 -0.12 116.97 121.10 3ko3 h TYR 54 Ca 0.12 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 3ko3 h TYR 54 Cb 0.10 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 3ko3 h TYR 54 CO 0.00 0.49 -0.51 0.82 -1.64 0.00 0.00 178.16 177.33 3ko3 h ILE 55 N -0.25 0.02 -0.77 1.81 1.08 -1.18 -2.55 117.51 115.67 3ko3 h ILE 55 Ca 0.01 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.66 3ko3 h ILE 55 Cb 0.45 0.02 -0.11 0.00 -3.07 0.00 0.00 36.82 34.11 3ko3 h ILE 55 CO 0.01 0.00 0.22 0.40 -0.69 0.00 0.00 178.15 178.09 3ko3 h ILE 56 N -0.92 0.51 -0.54 -0.67 2.04 -1.19 -1.61 117.51 115.12 3ko3 h ILE 56 Ca -0.04 -0.10 0.02 0.00 1.00 0.00 0.00 64.86 65.73 3ko3 h ILE 56 Cb 0.84 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 3ko3 h ILE 56 CO -0.14 0.06 0.34 -0.09 0.00 0.00 0.00 178.15 178.31 3ko3 h ARG 57 N 0.30 0.65 -0.04 2.37 2.43 -0.65 -2.46 114.38 116.98 3ko3 h ARG 57 Ca 0.44 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.53 3ko3 h ARG 57 Cb 0.77 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 3ko3 h ARG 57 CO -0.51 0.43 -0.14 0.87 -1.51 0.00 0.00 179.97 179.11 3ko3 h LYS 58 N 0.67 0.16 -0.43 0.20 1.79 -0.97 -0.13 116.57 117.86 3ko3 h LYS 58 Ca 0.21 -0.13 0.12 0.00 -2.18 0.00 0.00 60.65 58.68 3ko3 h LYS 58 Cb -0.00 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.65 3ko3 h LYS 58 CO -0.08 0.76 0.32 0.00 -1.08 0.00 0.00 179.45 179.36 3ko3 h LEU 60 N 0.00 0.06 0.00 0.00 3.38 -1.21 -3.42 115.31 114.12 3ko3 h LEU 60 Ca 0.20 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3ko3 h LEU 60 Cb 0.83 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3ko3 h LEU 60 CO -0.00 1.09 -0.53 0.59 0.09 0.00 0.00 178.44 179.68 3ko3 n ASN 61 N -3.18 1.11 -4.67 -0.43 3.02 -0.08 -4.29 115.26 106.74 3ko3 n ASN 61 Ca -0.14 -0.48 -0.47 0.00 -0.03 0.00 0.00 54.58 53.46 3ko3 n ASN 61 Cb 1.03 1.07 -0.04 0.00 -0.61 0.00 0.00 39.78 41.22 3ko3 n ASN 61 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3ko3 n LEU 62 N -1.28 3.12 -4.51 3.41 4.77 -0.20 -4.68 117.00 117.64 3ko3 n LEU 62 Ca 0.01 1.05 -0.43 0.00 -0.03 0.00 0.00 56.01 56.61 3ko3 n LEU 62 Cb 0.11 -1.39 -0.02 0.00 -2.33 0.00 0.00 43.42 39.78 3ko3 n LEU 62 CO 0.12 -0.26 1.31 -0.13 -1.33 0.00 0.00 177.39 177.11 3ko3 s ARG 63 N 1.94 3.67 -0.06 3.23 0.52 -1.26 -4.08 118.95 122.90 3ko3 s ARG 63 Ca 0.84 -1.57 0.18 0.00 -0.52 0.00 0.00 55.73 54.65 3ko3 s ARG 63 Cb -0.70 -5.17 0.58 0.00 0.52 0.00 0.00 34.95 30.18 3ko3 s ARG 63 CO 0.43 -2.00 1.50 1.28 0.02 0.00 0.00 175.30 176.52 3ko3 n LEU 64 N 7.64 4.01 -4.44 2.53 4.77 -0.68 -3.68 117.00 127.15 3ko3 n LEU 64 Ca 0.31 -2.26 -0.22 0.00 -0.03 0.00 0.00 56.01 53.81 3ko3 n LEU 64 Cb 0.49 -0.47 -0.10 0.00 -2.33 0.00 0.00 43.42 41.01 3ko3 n LEU 64 CO 0.60 0.83 -0.36 0.26 -1.33 0.00 0.00 177.39 177.40 3ko3 s TRP 65 N -1.48 2.01 0.46 -1.77 0.51 -0.35 -4.85 118.94 113.47 3ko3 s TRP 65 Ca 0.43 -0.69 0.08 0.00 -2.12 0.00 0.00 56.10 53.79 3ko3 s TRP 65 Cb 0.26 -1.16 0.01 0.00 -0.81 0.00 0.00 33.47 31.77 3ko3 s TRP 65 CO 0.24 0.30 0.49 -0.80 -0.51 0.00 0.00 176.95 176.67 3ko3 s ASN 66 N -3.47 5.14 -0.42 2.95 -0.87 -1.26 0.17 114.94 117.18 3ko3 s ASN 66 Ca 0.30 -0.76 0.02 0.00 -1.57 0.00 0.00 52.86 50.86 3ko3 s ASN 66 Cb 0.04 -0.31 0.15 0.00 -0.02 0.00 0.00 41.25 41.12 3ko3 s ASN 66 CO 0.13 -0.86 0.29 0.21 -2.57 0.00 0.00 177.10 174.30 3ko3 s ASN 67 N -4.29 2.67 0.33 -1.22 3.04 0.15 -4.69 114.94 110.93 3ko3 s ASN 67 Ca 0.50 -2.74 0.00 0.00 0.04 0.00 0.00 52.86 50.65 3ko3 s ASN 67 Cb -0.05 -0.64 0.00 0.00 -1.54 0.00 0.00 41.25 39.02 3ko3 s ASN 67 CO 0.30 -0.23 0.00 0.47 -3.04 0.00 0.00 177.10 174.60 3ko3 n ASP 68 N 3.32 0.00 -0.39 -4.21 8.00 -1.26 -2.03 116.55 119.98 3ko3 n ASP 68 Ca 0.19 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.61 3ko3 n ASP 68 Cb 0.40 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.45 3ko3 n ASP 68 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ko3 n ASN 69 N 2.09 -0.88 -4.79 -2.24 3.02 -1.26 -4.54 115.26 106.66 3ko3 n ASN 69 Ca 0.00 1.68 -0.38 0.00 -0.03 0.00 0.00 54.58 55.85 3ko3 n ASN 69 Cb 0.00 -0.27 -0.06 0.00 -0.61 0.00 0.00 39.78 38.84 3ko3 n ASN 69 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3ko3 s LYS 70 N -5.61 4.06 0.55 3.52 2.20 -0.86 -5.07 119.74 118.52 3ko3 s LYS 70 Ca -0.12 0.36 -0.05 0.00 -0.36 0.00 0.00 55.97 55.80 3ko3 s LYS 70 Cb 0.13 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 33.15 3ko3 s LYS 70 CO 0.62 0.50 0.85 0.95 -0.36 0.00 0.00 175.35 177.90 3ko3 s THR 71 N -0.44 3.86 -1.04 3.43 -4.23 -1.26 0.33 115.64 116.29 3ko3 s THR 71 Ca 0.23 -0.07 -0.19 0.00 -1.18 0.00 0.00 61.69 60.49 3ko3 s THR 71 Cb -0.16 -3.50 0.02 0.00 1.34 0.00 0.00 72.50 70.20 3ko3 s THR 71 CO 0.11 -0.49 0.67 0.79 -0.54 0.00 0.00 174.62 175.17 3ko3 n TRP 72 N -2.45 -1.79 -0.84 3.99 7.02 -1.05 -4.88 117.44 117.44 3ko3 n TRP 72 Ca 0.03 0.46 0.00 0.00 -1.02 0.00 0.00 57.50 56.97 3ko3 n TRP 72 Cb 0.57 -2.94 0.00 0.00 -2.42 0.00 0.00 31.31 26.52 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 -2.38 0.00 -3.77 -0.99 2.03 0.45 -4.83 116.55 107.06 3ko3 n ASP 73 Ca -0.18 -0.81 -0.13 0.00 0.52 0.00 0.00 54.79 54.19 3ko3 n ASP 73 Cb 0.61 0.00 -0.12 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 0.00 0.29 0.62 -0.67 -0.14 -0.84 -4.87 119.74 114.13 3ko3 s LYS 74 Ca 0.00 0.42 -0.01 0.00 -1.36 0.00 0.00 55.97 55.02 3ko3 s LYS 74 Cb 0.00 0.09 0.06 0.00 -1.68 0.00 0.00 37.83 36.30 3ko3 s LYS 74 CO 0.00 -0.07 0.87 0.54 -0.76 0.00 0.00 175.35 175.93 3ko3 s ASN 75 N 0.41 4.97 0.27 2.83 2.20 -1.26 -1.21 114.94 123.14 3ko3 s ASN 75 Ca -0.02 -0.01 -0.01 0.00 -0.94 0.00 0.00 52.86 51.88 3ko3 s ASN 75 Cb -0.04 -0.71 0.54 0.00 -2.00 0.00 0.00 41.25 39.05 3ko3 s ASN 75 CO -0.02 -1.40 1.77 1.62 -2.94 0.00 0.00 177.10 176.13 3ko3 h VAL 76 N -0.19 0.74 -0.37 3.54 3.04 -1.75 -2.28 116.25 118.98 3ko3 h VAL 76 Ca -0.41 -0.22 -0.13 0.00 -1.01 0.00 0.00 66.70 64.92 3ko3 h VAL 76 Cb 1.29 0.03 -0.01 0.00 -2.01 0.00 0.00 31.29 30.60 3ko3 h VAL 76 CO 0.51 0.12 -0.29 0.11 -1.01 0.00 0.00 177.57 177.00 3ko3 h LYS 77 N 0.65 0.85 -0.76 4.17 1.57 -1.84 0.44 116.57 121.65 3ko3 h LYS 77 Ca 0.47 -0.42 0.16 0.00 -1.87 0.00 0.00 60.65 58.99 3ko3 h LYS 77 Cb 0.65 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.86 3ko3 h LYS 77 CO -0.36 1.06 0.24 -0.44 -0.57 0.00 0.00 179.45 179.38 3ko3 h ASP 78 N 0.64 0.14 -0.12 0.86 3.32 -1.76 0.25 116.42 119.76 3ko3 h ASP 78 Ca 0.07 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3ko3 h ASP 78 Cb 0.87 0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.57 3ko3 h ASP 78 CO 0.08 0.01 0.00 0.18 -1.72 0.00 0.00 179.24 177.79 3ko3 n LEU 79 N -5.09 2.17 -3.26 1.55 4.77 -1.12 -4.93 117.00 111.09 3ko3 n LEU 79 Ca 0.15 -0.81 -0.23 0.00 -0.03 0.00 0.00 56.01 55.08 3ko3 n LEU 79 Cb 0.46 -0.07 0.05 0.00 -2.33 0.00 0.00 43.42 41.54 3ko3 n LEU 79 CO 0.15 0.41 0.10 -3.20 -1.33 0.00 0.00 177.39 173.51 3ko3 n ASN 80 N 0.67 -6.25 -4.27 -1.43 5.15 0.89 -4.99 115.26 105.05 3ko3 n ASN 80 Ca 0.17 -0.39 -0.27 0.00 -0.60 0.00 0.00 54.58 53.48 3ko3 n ASN 80 Cb 0.44 -4.99 0.17 0.00 -0.53 0.00 0.00 39.78 34.87 3ko3 n ASN 80 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3ko3 s TYR 81 N -3.24 1.33 0.31 1.20 2.02 0.10 -5.01 117.35 114.06 3ko3 s TYR 81 Ca 0.42 -0.02 0.09 0.00 -0.37 0.00 0.00 57.07 57.20 3ko3 s TYR 81 Cb -0.19 -3.71 -0.05 0.00 -0.40 0.00 0.00 41.96 37.62 3ko3 s TYR 81 CO 0.52 -2.40 0.05 -1.21 -1.57 0.00 0.00 175.55 170.94 3ko3 s GLU 82 N -5.62 2.26 -0.06 -0.62 2.02 -0.60 -4.70 118.70 111.37 3ko3 s GLU 82 Ca 0.73 -1.55 0.03 0.00 0.02 0.00 0.00 54.97 54.19 3ko3 s GLU 82 Cb -0.03 -2.10 0.01 0.00 0.10 0.00 0.00 34.13 32.10 3ko3 s GLU 82 CO 0.50 0.22 -0.15 -0.51 0.02 0.00 0.00 175.26 175.34 3ko3 s LEU 83 N -3.74 1.77 -0.35 1.80 1.02 0.11 -1.23 118.68 118.05 3ko3 s LEU 83 Ca 0.34 -0.34 -0.02 0.00 0.02 0.00 0.00 54.13 54.13 3ko3 s LEU 83 Cb -0.03 -0.92 0.07 0.00 0.02 0.00 0.00 46.19 45.33 3ko3 s LEU 83 CO 0.21 0.08 0.09 -0.22 0.02 0.00 0.00 176.35 176.52 3ko3 s LEU 84 N 0.46 4.49 -0.40 1.79 2.96 0.58 -0.37 118.68 128.19 3ko3 s LEU 84 Ca -0.12 -1.58 -0.15 0.00 -0.22 0.00 0.00 54.13 52.05 3ko3 s LEU 84 Cb -0.15 -1.77 0.01 0.00 0.50 0.00 0.00 46.19 44.79 3ko3 s LEU 84 CO 0.04 -0.38 0.33 -0.63 -1.32 0.00 0.00 176.35 174.39 3ko3 s ILE 85 N 1.21 5.21 -0.06 6.68 -1.09 -0.89 0.03 121.20 132.29 3ko3 s ILE 85 Ca 0.01 -0.49 0.05 0.00 -2.23 0.00 0.00 60.65 57.99 3ko3 s ILE 85 Cb -0.21 -3.93 -0.01 0.00 -1.58 0.00 0.00 42.46 36.73 3ko3 s ILE 85 CO -0.02 -0.29 -0.22 -0.69 -1.23 0.00 0.00 174.94 172.49 3ko3 s VAL 86 N 1.82 2.36 -0.12 2.92 1.01 0.17 -4.14 120.40 124.42 3ko3 s VAL 86 Ca 0.07 -0.96 -0.18 0.00 0.00 0.00 0.00 61.98 60.92 3ko3 s VAL 86 Cb -0.18 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 3ko3 s VAL 86 CO 0.11 0.57 0.45 -0.55 0.00 0.00 0.00 175.10 175.68 3ko3 s SER 87 N -0.23 6.66 -0.40 3.32 0.15 -1.26 0.11 113.70 122.05 3ko3 s SER 87 Ca -0.01 0.78 0.01 0.00 0.70 0.00 0.00 55.95 57.43 3ko3 s SER 87 Cb -0.13 -2.27 0.14 0.00 -1.71 0.00 0.00 66.02 62.05 3ko3 s SER 87 CO 0.03 0.02 0.25 -1.58 1.20 0.00 0.00 173.24 173.16 3ko3 s GLN 88 N 0.55 0.87 0.38 5.44 2.00 0.35 -4.82 119.66 124.43 3ko3 s GLN 88 Ca 0.25 -1.71 0.05 0.00 -2.00 0.00 0.00 55.36 51.95 3ko3 s GLN 88 Cb -0.15 -1.67 0.76 0.00 0.80 0.00 0.00 33.01 32.75 3ko3 s GLN 88 CO 0.10 -1.23 2.02 0.27 -0.50 0.00 0.00 175.29 175.95 3ko3 h PHE 89 N 6.66 0.60 -0.08 1.67 -5.15 -1.96 -2.06 116.94 116.62 3ko3 h PHE 89 Ca 0.08 0.01 0.02 0.00 -0.20 0.00 0.00 57.97 57.88 3ko3 h PHE 89 Cb 0.94 -0.20 -0.00 0.00 0.22 0.00 0.00 35.95 36.91 3ko3 h PHE 89 CO 0.43 0.40 0.54 1.79 -2.00 0.00 0.00 178.31 179.47 3ko3 h THR 90 N 0.64 0.04 0.00 0.88 1.35 -1.96 0.60 112.91 114.45 3ko3 h THR 90 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.03 3ko3 h THR 90 Cb -0.03 0.48 0.00 0.00 -1.73 0.00 0.00 68.15 66.87 3ko3 h THR 90 CO -0.03 0.00 0.03 0.18 -0.25 0.00 0.00 175.52 175.45 3ko3 n LEU 91 N -2.89 0.07 -0.77 3.87 4.77 -0.77 -0.83 117.00 120.45 3ko3 n LEU 91 Ca 0.00 0.50 0.07 0.00 -0.03 0.00 0.00 56.01 56.56 3ko3 n LEU 91 Cb 0.60 -0.51 0.23 0.00 -2.33 0.00 0.00 43.42 41.41 3ko3 n LEU 91 CO 0.12 -0.53 0.68 0.49 -1.33 0.00 0.00 177.39 176.82 3ko3 n PHE 92 N -1.57 0.78 -2.45 -1.77 3.72 0.21 -4.94 117.46 111.43 3ko3 n PHE 92 Ca -0.00 -1.01 -0.41 0.00 -0.05 0.00 0.00 57.45 55.97 3ko3 n PHE 92 Cb 0.04 -0.31 -0.03 0.00 -0.94 0.00 0.00 39.48 38.24 3ko3 n PHE 92 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3ko3 s GLY 93 N -2.21 0.91 0.22 1.37 0.00 -0.01 -4.14 107.32 103.47 3ko3 s GLY 93 Ca 0.41 -0.84 -0.30 0.00 0.00 0.00 0.00 44.72 43.98 3ko3 s GLY 93 CO 0.06 2.73 0.95 0.21 0.00 0.00 0.00 173.10 177.05 3ko3 s ASN 94 N 4.13 7.62 0.00 1.64 3.84 0.14 -4.76 114.94 127.56 3ko3 s ASN 94 Ca 0.47 1.94 0.00 0.00 0.21 0.00 0.00 52.86 55.48 3ko3 s ASN 94 Cb -0.10 -2.61 0.00 0.00 -0.55 0.00 0.00 41.25 38.00 3ko3 s ASN 94 CO 0.23 0.12 0.76 0.35 -2.79 0.00 0.00 177.10 175.77 3ko3 n THR 95 N 1.66 0.56 -0.28 -5.21 -2.24 -1.26 -0.24 114.28 107.27 3ko3 n THR 95 Ca -0.01 -0.60 0.09 0.00 -2.27 0.00 0.00 64.05 61.26 3ko3 n THR 95 Cb 0.47 0.76 0.24 0.00 -2.10 0.00 0.00 70.33 69.70 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 0.00 0.36 -6.04 -0.78 1.57 -1.95 -3.42 116.57 106.31 3ko3 h LYS 96 Ca 0.00 -0.02 -0.68 0.00 -1.87 0.00 0.00 60.65 58.07 3ko3 h LYS 96 Cb 0.63 -0.08 -0.27 0.00 0.08 0.00 0.00 32.23 32.59 3ko3 h LYS 96 CO 0.00 0.24 -0.82 -1.59 -0.57 0.00 0.00 179.45 176.71 3ko3 s LYS 97 N -5.97 2.66 3.30 3.15 0.00 -1.26 -5.05 119.74 116.57 3ko3 s LYS 97 Ca -0.12 -0.79 0.00 0.00 0.00 0.00 0.00 55.97 55.06 3ko3 s LYS 97 Cb 0.23 -2.32 0.00 0.00 0.00 0.00 0.00 37.83 35.74 3ko3 s LYS 97 CO 0.77 0.45 0.00 0.41 0.00 0.00 0.00 175.35 176.98 3ko3 n GLY 98 N 2.78 0.50 0.00 0.59 0.00 -1.26 -4.42 105.19 103.38 3ko3 n GLY 98 Ca -0.17 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.05 1.06 -4.41 1.61 5.03 -1.26 -4.98 115.26 110.26 3ko3 n ASN 99 Ca 0.00 -1.44 -0.39 0.00 0.87 0.00 0.00 54.58 53.62 3ko3 n ASN 99 Cb 0.00 0.00 -0.12 0.00 -1.02 0.00 0.00 39.78 38.64 3ko3 n ASN 99 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 3ko3 s LYS 100 N -0.44 3.19 0.19 3.52 2.20 -1.26 -5.06 119.74 122.08 3ko3 s LYS 100 Ca 0.00 -0.82 -0.32 0.00 -0.36 0.00 0.00 55.97 54.48 3ko3 s LYS 100 Cb 0.00 -3.57 -0.11 0.00 -1.51 0.00 0.00 37.83 32.64 3ko3 s LYS 100 CO 0.00 -0.48 1.66 -2.14 -0.36 0.00 0.00 175.35 174.03 3ko3 s PRO 101 N 1.58 4.16 -0.32 4.03 0.02 -1.26 -4.90 135.00 138.31 3ko3 s PRO 101 Ca 0.04 2.51 -0.19 0.00 0.02 0.00 0.00 61.00 63.38 3ko3 s PRO 101 Cb -0.18 -3.10 -0.01 0.00 0.02 0.00 0.00 34.50 31.23 3ko3 s PRO 101 CO 0.06 -0.69 0.56 0.34 -0.33 0.00 0.00 177.00 176.93 3ko3 s ASP 102 N 1.15 6.40 0.00 2.53 2.15 0.66 -4.82 116.67 124.75 3ko3 s ASP 102 Ca 0.73 0.24 0.19 0.00 0.43 0.00 0.00 52.55 54.14 3ko3 s ASP 102 Cb -0.47 -2.29 0.21 0.00 -0.30 0.00 0.00 42.92 40.06 3ko3 s ASP 102 CO 0.32 -0.45 1.16 0.49 -0.17 0.00 0.00 175.17 176.52 3ko3 n PHE 103 N 5.77 0.12 0.13 -5.34 3.72 -1.26 0.27 117.46 120.87 3ko3 n PHE 103 Ca -0.03 -0.07 0.19 0.00 -0.05 0.00 0.00 57.45 57.49 3ko3 n PHE 103 Cb 0.49 -0.00 0.77 0.00 -0.94 0.00 0.00 39.48 39.80 3ko3 n PHE 103 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 176.76 177.83 3ko3 h HIS 104 N 3.76 0.00 0.00 1.38 2.07 -1.93 -0.42 115.15 120.02 3ko3 h HIS 104 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3ko3 h HIS 104 Cb 0.82 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.80 3ko3 h HIS 104 CO 0.06 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.20 3ko3 n LEU 105 N -3.74 0.00 -4.82 6.12 4.77 -1.26 -4.79 117.00 113.28 3ko3 n LEU 105 Ca 0.05 0.20 -0.33 0.00 -0.03 0.00 0.00 56.01 55.90 3ko3 n LEU 105 Cb 0.52 -0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 41.35 3ko3 n LEU 105 CO 0.27 -0.06 0.65 0.00 -1.33 0.00 0.00 177.39 176.92 3ko3 s ALA 106 N -2.40 3.05 0.15 -1.18 0.00 -0.17 -1.29 121.76 119.93 3ko3 s ALA 106 Ca 0.24 0.35 -0.30 0.00 0.00 0.00 0.00 51.96 52.25 3ko3 s ALA 106 Cb 0.14 -3.13 -0.07 0.00 0.00 0.00 0.00 23.12 20.06 3ko3 s ALA 106 CO 0.30 0.07 1.24 0.21 0.00 0.00 0.00 175.76 177.58 3ko3 s LYS 107 N -3.33 4.44 0.13 0.00 2.20 0.46 -4.41 119.74 119.24 3ko3 s LYS 107 Ca 0.61 1.90 -0.35 0.00 -0.36 0.00 0.00 55.97 57.77 3ko3 s LYS 107 Cb -0.09 -3.26 -0.16 0.00 -1.51 0.00 0.00 37.83 32.81 3ko3 s LYS 107 CO 0.16 -0.20 1.34 -1.91 -0.36 0.00 0.00 175.35 174.38 3ko3 n GLU 108 N 3.07 1.38 -0.35 4.03 0.00 -1.26 -4.59 120.64 122.92 3ko3 n GLU 108 Ca 0.07 0.50 0.01 0.00 0.00 0.00 0.00 57.16 57.74 3ko3 n GLU 108 Cb 0.45 -2.12 0.07 0.00 0.00 0.00 0.00 31.44 29.83 3ko3 n GLU 108 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 3ko3 n PRO 109 N 2.42 -0.17 -0.16 5.31 -0.02 -1.26 -0.15 135.00 140.97 3ko3 n PRO 109 Ca 0.17 1.43 -0.04 0.00 -2.02 0.00 0.00 63.50 63.04 3ko3 n PRO 109 Cb 0.23 -2.12 0.06 0.00 -0.02 0.00 0.00 33.50 31.64 3ko3 n PRO 109 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3ko3 h ASN 110 N 0.00 0.24 0.61 2.55 2.35 -1.99 0.67 115.58 120.00 3ko3 h ASN 110 Ca 0.36 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 56.16 3ko3 h ASN 110 Cb 0.59 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.98 3ko3 h ASN 110 CO -0.93 0.17 -0.94 -0.62 -1.65 0.00 0.00 177.43 173.46 3ko3 n GLU 111 N -4.97 0.34 0.07 0.81 1.02 -0.73 -2.96 120.64 114.23 3ko3 n GLU 111 Ca 0.05 0.03 -0.08 0.00 -0.02 0.00 0.00 57.16 57.14 3ko3 n GLU 111 Cb 0.18 -1.64 0.04 0.00 -0.02 0.00 0.00 31.44 30.00 3ko3 n GLU 111 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3ko3 h ALA 112 N 2.46 0.65 0.16 0.62 0.00 0.09 -3.10 119.26 120.13 3ko3 h ALA 112 Ca 0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 3ko3 h ALA 112 Cb 0.77 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3ko3 h ALA 112 CO 0.00 0.80 -0.08 1.25 0.00 0.00 0.00 179.25 181.22 3ko3 h LEU 113 N 0.19 -0.18 -0.80 0.00 5.85 0.45 0.20 115.31 121.02 3ko3 h LEU 113 Ca -0.03 -0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.50 3ko3 h LEU 113 Cb 1.31 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 3ko3 h LEU 113 CO 0.12 -0.03 -0.25 0.16 -0.34 0.00 0.00 178.44 178.09 3ko3 h ILE 114 N -0.32 1.27 -0.25 4.05 -0.00 -1.67 0.42 117.51 121.01 3ko3 h ILE 114 Ca -0.02 -1.33 -0.04 0.00 -0.00 0.00 0.00 64.86 63.47 3ko3 h ILE 114 Cb 0.25 1.31 -0.01 0.00 -0.00 0.00 0.00 36.82 38.37 3ko3 h ILE 114 CO 0.04 0.43 0.02 0.15 -0.00 0.00 0.00 178.15 178.78 3ko3 h PHE 115 N 0.54 0.47 -0.09 0.16 3.57 -1.45 0.38 116.94 120.52 3ko3 h PHE 115 Ca 0.07 -0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.54 3ko3 h PHE 115 Cb 0.72 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.28 3ko3 h PHE 115 CO 0.03 0.58 -0.25 -0.92 -2.23 0.00 0.00 178.31 175.52 3ko3 h TYR 116 N 0.22 -0.66 -0.48 0.41 3.20 -0.39 -0.78 116.97 118.49 3ko3 h TYR 116 Ca 0.07 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 3ko3 h TYR 116 Cb 0.38 0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 3ko3 h TYR 116 CO 0.03 -0.33 0.27 -0.91 -1.64 0.00 0.00 178.16 175.58 3ko3 h ASN 117 N -0.33 0.57 -0.57 -2.11 2.35 -0.51 0.18 115.58 115.16 3ko3 h ASN 117 Ca 0.09 -0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.73 3ko3 h ASN 117 Cb 0.46 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 3ko3 h ASN 117 CO -0.28 0.45 0.07 0.11 -1.65 0.00 0.00 177.43 176.13 3ko3 h LYS 118 N 0.65 0.95 -0.94 0.81 1.57 -0.76 -2.99 116.57 115.86 3ko3 h LYS 118 Ca 0.17 -0.27 0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3ko3 h LYS 118 Cb -0.00 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.15 3ko3 h LYS 118 CO -0.03 0.92 0.62 0.82 -0.57 0.00 0.00 179.45 181.21 3ko3 h ILE 119 N 0.84 1.21 -0.27 1.86 2.04 0.85 -1.95 117.51 122.10 3ko3 h ILE 119 Ca 0.17 -0.43 0.04 0.00 1.00 0.00 0.00 64.86 65.64 3ko3 h ILE 119 Cb 0.44 -0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.35 3ko3 h ILE 119 CO 0.02 0.23 0.04 0.40 0.00 0.00 0.00 178.15 178.83 3ko3 h ILE 120 N 1.24 0.86 -0.71 -0.67 1.08 -1.25 -1.28 117.51 116.78 3ko3 h ILE 120 Ca 0.36 -0.05 0.05 0.00 -0.39 0.00 0.00 64.86 64.83 3ko3 h ILE 120 Cb -0.09 0.71 -0.04 0.00 -3.07 0.00 0.00 36.82 34.33 3ko3 h ILE 120 CO -0.09 0.02 0.47 0.44 -0.69 0.00 0.00 178.15 178.30 3ko3 h ASP 121 N 0.14 0.70 0.05 1.72 3.32 -1.23 0.23 116.42 121.35 3ko3 h ASP 121 Ca 0.12 -0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.96 3ko3 h ASP 121 Cb 0.13 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3ko3 h ASP 121 CO -0.17 0.47 -0.76 -0.08 -1.72 0.00 0.00 179.24 176.98 3ko3 h GLU 122 N 0.80 0.60 -0.68 3.56 4.57 -0.97 0.34 114.58 122.80 3ko3 h GLU 122 Ca 0.29 -0.50 0.05 0.00 -1.18 0.00 0.00 59.36 58.03 3ko3 h GLU 122 Cb 0.15 0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.79 3ko3 h GLU 122 CO -0.09 1.12 0.40 0.74 -1.18 0.00 0.00 179.01 180.00 3ko3 h PHE 123 N 0.41 0.74 -0.01 0.92 0.04 -0.14 -0.01 116.94 118.89 3ko3 h PHE 123 Ca -0.04 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.75 3ko3 h PHE 123 Cb 1.36 -0.24 -0.00 0.00 2.20 0.00 0.00 35.95 39.28 3ko3 h PHE 123 CO 0.07 0.38 -0.01 0.87 -0.60 0.00 0.00 178.31 179.02 3ko3 h LYS 124 N 0.76 0.03 -0.31 1.51 1.57 -0.23 -2.61 116.57 117.29 3ko3 h LYS 124 Ca 0.29 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 3ko3 h LYS 124 Cb 0.12 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3ko3 h LYS 124 CO -0.15 0.45 0.20 -0.22 -0.57 0.00 0.00 179.45 179.16 3ko3 h LYS 125 N -0.40 0.39 0.00 3.15 3.64 -0.23 0.22 116.57 123.35 3ko3 h LYS 125 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3ko3 h LYS 125 Cb 0.44 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3ko3 h LYS 125 CO 0.00 0.26 0.00 1.04 -2.27 0.00 0.00 179.45 178.48 3ko3 n GLN 126 N -4.88 0.23 0.00 1.90 6.02 -0.03 -4.59 117.38 116.03 3ko3 n GLN 126 Ca -0.01 0.32 0.00 0.00 -0.01 0.00 0.00 57.00 57.30 3ko3 n GLN 126 Cb 0.03 -1.84 0.00 0.00 1.02 0.00 0.00 30.24 29.45 3ko3 n GLN 126 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3ko3 n TYR 127 N -2.26 0.00 0.00 1.08 9.36 -0.98 -5.07 117.16 119.28 3ko3 n TYR 127 Ca 0.04 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.26 3ko3 n TYR 127 Cb 0.33 0.04 0.00 0.00 -0.63 0.00 0.00 39.34 39.08 3ko3 n TYR 127 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3ko3 n ASN 128 N -1.40 0.00 -0.26 2.98 2.85 0.76 -5.04 115.26 115.16 3ko3 n ASN 128 Ca 0.00 0.00 0.01 0.00 -0.11 0.00 0.00 54.58 54.48 3ko3 n ASN 128 Cb 0.00 0.00 0.08 0.00 1.24 0.00 0.00 39.78 41.10 3ko3 n ASN 128 CO 0.00 0.00 0.00 -0.78 -2.11 0.00 0.00 177.26 174.37 3ko3 h ASP 129 N 0.00 -0.75 0.46 1.20 3.58 -1.89 -0.68 116.42 118.33 3ko3 h ASP 129 Ca 0.00 0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.68 3ko3 h ASP 129 Cb 0.00 0.48 0.00 0.00 1.72 0.00 0.00 39.33 41.53 3ko3 h ASP 129 CO 0.00 -0.26 0.00 0.47 -2.88 0.00 0.00 179.24 176.57 3ko3 n ASP 130 N -5.49 0.00 -0.87 2.28 8.00 -1.26 -3.04 116.55 116.17 3ko3 n ASP 130 Ca 0.10 0.13 0.12 0.00 0.71 0.00 0.00 54.79 55.85 3ko3 n ASP 130 Cb 0.38 -0.34 0.22 0.00 -0.02 0.00 0.00 41.12 41.36 3ko3 n ASP 130 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3ko3 n LYS 131 N -1.34 2.19 -3.87 -1.24 4.76 -0.26 -4.86 118.16 113.55 3ko3 n LYS 131 Ca 0.08 -1.75 -0.36 0.00 -2.87 0.00 0.00 58.31 53.42 3ko3 n LYS 131 Cb 0.18 -1.47 -0.13 0.00 -1.84 0.00 0.00 35.03 31.77 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 -1.91 3.23 0.22 -0.18 -1.09 -1.17 -0.72 121.20 119.57 3ko3 s ILE 132 Ca 0.32 -1.25 0.06 0.00 -2.23 0.00 0.00 60.65 57.54 3ko3 s ILE 132 Cb 0.20 -2.82 -0.04 0.00 -1.58 0.00 0.00 42.46 38.23 3ko3 s ILE 132 CO 0.31 -0.09 0.21 -0.54 -1.23 0.00 0.00 174.94 173.60 3ko3 s LYS 133 N 1.31 3.05 0.24 2.79 3.01 0.50 -5.01 119.74 125.64 3ko3 s LYS 133 Ca -0.04 -0.91 0.01 0.00 -1.01 0.00 0.00 55.97 54.03 3ko3 s LYS 133 Cb -0.19 -2.68 -0.04 0.00 -1.01 0.00 0.00 37.83 33.91 3ko3 s LYS 133 CO -0.00 0.44 0.19 0.96 0.51 0.00 0.00 175.35 177.45 3ko3 s ILE 134 N -1.96 0.00 0.00 2.17 -4.36 -1.26 -2.09 121.20 113.69 3ko3 s ILE 134 Ca 0.33 -1.98 0.00 0.00 -0.26 0.00 0.00 60.65 58.73 3ko3 s ILE 134 Cb -0.09 -2.50 0.00 0.00 1.25 0.00 0.00 42.46 41.12 3ko3 s ILE 134 CO 0.25 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.04 3ko3 n GLY 135 N -0.39 1.81 2.82 6.27 0.00 -1.26 -4.67 105.19 109.78 3ko3 n GLY 135 Ca 0.04 -1.88 -0.29 0.00 0.00 0.00 0.00 46.02 43.89 3ko3 n GLY 135 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ko3 s LYS 136 N 3.58 1.85 0.18 1.61 2.20 -1.26 -5.05 119.74 122.86 3ko3 s LYS 136 Ca 0.00 -2.64 -0.29 0.00 -0.36 0.00 0.00 55.97 52.68 3ko3 s LYS 136 Cb 0.00 -2.93 -0.17 0.00 -1.51 0.00 0.00 37.83 33.22 3ko3 s LYS 136 CO 0.00 -1.20 0.55 0.34 -0.36 0.00 0.00 175.35 174.68 3ko3 n PHE 137 N 2.85 -0.41 -3.76 4.03 7.35 -1.26 -2.88 117.46 123.38 3ko3 n PHE 137 Ca 0.13 0.97 -0.23 0.00 -0.76 0.00 0.00 57.45 57.55 3ko3 n PHE 137 Cb 0.35 -1.95 0.03 0.00 0.35 0.00 0.00 39.48 38.26 3ko3 n PHE 137 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3ko3 n GLY 138 N 1.95 -0.33 3.05 7.13 0.00 -1.26 -5.02 105.19 110.71 3ko3 n GLY 138 Ca 0.18 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 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 -4.15 -0.20 0.17 1.61 0.02 -1.14 -5.13 114.94 106.13 3ko3 s ASN 139 Ca 0.14 0.40 -0.32 0.00 -1.02 0.00 0.00 52.86 52.05 3ko3 s ASN 139 Cb -0.07 0.36 -0.16 0.00 0.02 0.00 0.00 41.25 41.40 3ko3 s ASN 139 CO 0.82 -0.10 1.03 0.00 0.02 0.00 0.00 177.10 178.87 3ko3 n TYR 140 N 3.38 0.92 -4.13 2.20 9.36 -1.26 -4.89 117.16 122.74 3ko3 n TYR 140 Ca -0.17 0.77 -0.15 0.00 3.32 0.00 0.00 57.90 61.67 3ko3 n TYR 140 Cb 0.57 -2.20 -0.12 0.00 -0.63 0.00 0.00 39.34 36.95 3ko3 n TYR 140 CO 0.00 0.00 0.00 -1.64 0.22 0.00 0.00 176.86 175.44 3ko3 s MET 141 N -0.57 0.62 -0.19 2.98 -1.94 -1.26 -4.42 119.30 114.52 3ko3 s MET 141 Ca 0.72 -0.73 -0.00 0.00 -1.71 0.00 0.00 55.69 53.97 3ko3 s MET 141 Cb -0.90 -0.49 0.01 0.00 2.01 0.00 0.00 34.83 35.46 3ko3 s MET 141 CO 0.54 0.11 -0.16 1.21 -0.01 0.00 0.00 175.02 176.71 3ko3 s ASN 142 N -1.38 3.47 -0.36 3.03 2.47 -0.67 -4.96 114.94 116.54 3ko3 s ASN 142 Ca -0.06 -0.57 0.03 0.00 0.42 0.00 0.00 52.86 52.68 3ko3 s ASN 142 Cb -0.09 -1.55 0.11 0.00 -1.45 0.00 0.00 41.25 38.26 3ko3 s ASN 142 CO 0.01 -0.00 0.09 -0.63 -3.72 0.00 0.00 177.10 172.85 3ko3 s ILE 143 N 1.32 1.91 -0.24 -5.21 1.01 -1.26 -0.02 121.20 118.71 3ko3 s ILE 143 Ca 0.05 -2.23 -0.29 0.00 0.00 0.00 0.00 60.65 58.18 3ko3 s ILE 143 Cb -0.13 -2.41 -0.01 0.00 0.01 0.00 0.00 42.46 39.92 3ko3 s ILE 143 CO -0.10 -0.66 1.31 -1.81 0.00 0.00 0.00 174.94 173.69 3ko3 s ASP 144 N 0.92 6.76 0.20 3.58 1.01 -0.52 -4.91 116.67 123.71 3ko3 s ASP 144 Ca 0.12 1.45 0.07 0.00 0.71 0.00 0.00 52.55 54.90 3ko3 s ASP 144 Cb -0.20 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.16 3ko3 s ASP 144 CO -0.11 -0.96 0.05 -0.69 0.21 0.00 0.00 175.17 173.67 3ko3 s VAL 145 N 4.07 3.90 -0.35 -1.27 1.01 -1.26 -0.17 120.40 126.33 3ko3 s VAL 145 Ca 0.57 -1.45 0.03 0.00 0.00 0.00 0.00 61.98 61.13 3ko3 s VAL 145 Cb -0.20 -3.01 0.10 0.00 0.00 0.00 0.00 36.38 33.27 3ko3 s VAL 145 CO 0.20 -0.19 0.07 -0.89 0.00 0.00 0.00 175.10 174.29 3ko3 s THR 146 N -1.90 2.13 0.01 3.92 2.01 0.26 -4.93 115.64 117.13 3ko3 s THR 146 Ca 0.30 -2.31 -0.30 0.00 0.31 0.00 0.00 61.69 59.68 3ko3 s THR 146 Cb -0.09 -2.57 -0.05 0.00 0.01 0.00 0.00 72.50 69.80 3ko3 s THR 146 CO 0.21 -0.63 1.30 0.20 -0.69 0.00 0.00 174.62 175.01 3ko3 s ASN 147 N 0.89 6.95 -0.44 3.53 0.01 -1.26 -0.36 114.94 124.26 3ko3 s ASN 147 Ca 0.11 2.03 -0.10 0.00 -0.71 0.00 0.00 52.86 54.19 3ko3 s ASN 147 Cb -0.19 -2.57 0.09 0.00 0.41 0.00 0.00 41.25 38.99 3ko3 s ASN 147 CO -0.09 -0.63 0.30 -0.62 -1.51 0.00 0.00 177.10 174.56 3ko3 s ASP 148 N 1.53 5.71 0.00 -1.22 2.15 0.73 -4.63 116.67 120.95 3ko3 s ASP 148 Ca 0.61 -1.63 0.00 0.00 0.43 0.00 0.00 52.55 51.95 3ko3 s ASP 148 Cb -0.30 -2.02 0.00 0.00 -0.30 0.00 0.00 42.92 40.31 3ko3 s ASP 148 CO 0.26 -0.61 0.00 0.61 -0.17 0.00 0.00 175.17 175.26 3ko3 n GLY 149 N 4.95 2.13 3.89 2.66 0.00 -1.26 -3.09 105.19 114.46 3ko3 n GLY 149 Ca -0.10 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 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 1.79 -0.07 1.61 0.04 -1.26 -5.17 135.00 131.94 3ko3 s PRO 150 Ca 0.00 0.09 -0.00 0.00 0.04 0.00 0.00 61.00 61.13 3ko3 s PRO 150 Cb 0.00 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.63 3ko3 s PRO 150 CO 0.00 -1.71 -0.03 0.08 0.04 0.00 0.00 177.00 175.38 3ko3 s VAL 151 N -3.57 0.56 -0.07 -0.36 1.01 -1.18 -5.03 120.40 111.76 3ko3 s VAL 151 Ca 0.63 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.59 3ko3 s VAL 151 Cb -0.11 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.64 3ko3 s VAL 151 CO 0.50 0.27 -0.11 -0.89 0.00 0.00 0.00 175.10 174.87 3ko3 s THR 152 N 1.59 1.06 -0.01 3.92 2.01 -1.26 -2.06 115.64 120.88 3ko3 s THR 152 Ca -0.00 -0.42 0.08 0.00 0.31 0.00 0.00 61.69 61.66 3ko3 s THR 152 Cb -0.13 -0.99 -0.02 0.00 0.01 0.00 0.00 72.50 71.37 3ko3 s THR 152 CO -0.04 0.34 -0.25 -0.63 -0.69 0.00 0.00 174.62 173.35 3ko3 s ILE 153 N 0.84 1.99 0.05 1.82 -1.09 0.20 -4.97 121.20 120.04 3ko3 s ILE 153 Ca -0.11 -1.10 0.09 0.00 -2.23 0.00 0.00 60.65 57.30 3ko3 s ILE 153 Cb -0.15 -1.65 -0.03 0.00 -1.58 0.00 0.00 42.46 39.05 3ko3 s ILE 153 CO 0.02 0.54 -0.25 -0.47 -1.23 0.00 0.00 174.94 173.54 3ko3 s TYR 154 N -0.61 2.35 -0.08 3.97 5.04 -1.26 -0.93 117.35 125.83 3ko3 s TYR 154 Ca 0.10 -0.39 -0.04 0.00 -2.44 0.00 0.00 57.07 54.29 3ko3 s TYR 154 Cb -0.10 -1.38 0.04 0.00 0.35 0.00 0.00 41.96 40.87 3ko3 s TYR 154 CO -0.01 0.17 0.19 0.42 -1.34 0.00 0.00 175.55 174.98 3ko3 s ILE 155 N -0.85 -0.04 -0.12 3.14 1.01 -1.00 -5.02 121.20 118.32 3ko3 s ILE 155 Ca 0.12 0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.93 3ko3 s ILE 155 Cb -0.10 -0.30 0.01 0.00 0.01 0.00 0.00 42.46 42.08 3ko3 s ILE 155 CO 0.03 0.05 -0.19 -0.62 0.00 0.00 0.00 174.94 174.21 3ko3 s ASP 156 N 0.97 2.75 0.17 3.58 -1.08 -1.26 -1.69 116.67 120.12 3ko3 s ASP 156 Ca -0.07 -0.51 0.26 0.00 -0.52 0.00 0.00 52.55 51.71 3ko3 s ASP 156 Cb -0.09 -1.26 0.91 0.00 -1.46 0.00 0.00 42.92 41.02 3ko3 s ASP 156 CO -0.06 0.06 1.78 0.35 0.52 0.00 0.00 175.17 177.83 3ko3 n THR 157 N 4.03 0.54 0.20 1.71 -2.24 -0.43 -2.68 114.28 115.40 3ko3 n THR 157 Ca -0.20 -0.14 0.07 0.00 -2.27 0.00 0.00 64.05 61.51 3ko3 n THR 157 Cb 0.52 -0.67 0.36 0.00 -2.10 0.00 0.00 70.33 68.44 3ko3 n THR 157 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 3ko3 h HIS 158 N 0.00 0.00 0.00 4.78 3.86 -1.97 -2.03 115.15 119.79 3ko3 h HIS 158 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3ko3 h HIS 158 Cb 0.62 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.09 3ko3 h HIS 158 CO 0.00 0.33 0.00 -0.25 0.86 0.00 0.00 177.93 178.87 3ko3 n ASP 159 N -3.50 0.00 -4.17 2.45 8.00 -1.09 -4.77 116.55 113.46 3ko3 n ASP 159 Ca -0.00 -0.97 -0.15 0.00 0.71 0.00 0.00 54.79 54.38 3ko3 n ASP 159 Cb 0.49 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.48 3ko3 n ASP 159 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ko3 s ILE 160 N -2.00 0.96 -2.10 0.53 -1.09 -0.76 -5.09 121.20 111.65 3ko3 s ILE 160 Ca 0.01 -1.56 0.31 0.00 -2.23 0.00 0.00 60.65 57.18 3ko3 s ILE 160 Cb 0.00 -1.28 0.84 0.00 -1.58 0.00 0.00 42.46 40.44 3ko3 s ILE 160 CO 0.00 -0.49 2.13 0.59 -1.23 0.00 0.00 174.94 175.95