#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 2.22 -0.01 3.17 0.52 0.19 -2.06 118.95 122.98 3ko3 s ARG 2 Ca 0.00 -0.89 0.01 0.00 -0.52 0.00 0.00 55.73 54.33 3ko3 s ARG 2 Cb 0.00 -2.10 0.00 0.00 0.52 0.00 0.00 34.95 33.37 3ko3 s ARG 2 CO 0.00 0.55 -0.04 0.54 0.02 0.00 0.00 175.30 176.37 3ko3 s VAL 3 N -0.57 0.31 -0.30 3.52 0.11 -0.14 0.18 120.40 123.52 3ko3 s VAL 3 Ca 0.09 -0.14 -0.03 0.00 -2.93 0.00 0.00 61.98 58.96 3ko3 s VAL 3 Cb -0.11 -0.29 0.04 0.00 -1.53 0.00 0.00 36.38 34.50 3ko3 s VAL 3 CO -0.00 0.10 0.02 -0.69 -3.33 0.00 0.00 175.10 171.20 3ko3 s VAL 4 N 0.08 3.20 -0.20 2.04 1.01 -0.88 -2.12 120.40 123.54 3ko3 s VAL 4 Ca -0.00 -1.21 -0.06 0.00 0.00 0.00 0.00 61.98 60.70 3ko3 s VAL 4 Cb -0.04 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 3ko3 s VAL 4 CO -0.00 -0.05 0.04 -0.63 0.00 0.00 0.00 175.10 174.46 3ko3 s ILE 5 N 1.32 4.43 -0.07 2.22 1.01 -0.40 -1.78 121.20 127.93 3ko3 s ILE 5 Ca -0.03 -0.15 0.04 0.00 0.00 0.00 0.00 60.65 60.51 3ko3 s ILE 5 Cb -0.19 -3.00 -0.02 0.00 0.01 0.00 0.00 42.46 39.26 3ko3 s ILE 5 CO -0.01 0.43 -0.20 -1.10 0.00 0.00 0.00 174.94 174.07 3ko3 s GLN 6 N 0.74 2.66 -0.09 2.79 -0.21 -0.40 -0.43 119.66 124.72 3ko3 s GLN 6 Ca 0.02 -0.80 -0.25 0.00 0.02 0.00 0.00 55.36 54.35 3ko3 s GLN 6 Cb -0.14 -2.31 -0.03 0.00 1.00 0.00 0.00 33.01 31.54 3ko3 s GLN 6 CO 0.02 0.44 0.80 0.50 -2.12 0.00 0.00 175.29 174.92 3ko3 s ARG 7 N -0.27 4.41 0.07 2.91 3.52 -0.95 -1.74 118.95 126.90 3ko3 s ARG 7 Ca 0.01 1.02 0.06 0.00 -0.13 0.00 0.00 55.73 56.69 3ko3 s ARG 7 Cb -0.13 -3.49 -0.03 0.00 -1.56 0.00 0.00 34.95 29.74 3ko3 s ARG 7 CO 0.03 -0.09 -0.15 0.14 -0.81 0.00 0.00 175.30 174.42 3ko3 s VAL 8 N 1.29 1.20 -0.19 7.11 -7.23 -0.04 -0.87 120.40 121.67 3ko3 s VAL 8 Ca 0.40 -1.31 0.17 0.00 -1.81 0.00 0.00 61.98 59.43 3ko3 s VAL 8 Cb -0.18 -1.14 0.05 0.00 0.56 0.00 0.00 36.38 35.68 3ko3 s VAL 8 CO 0.18 -0.18 1.31 0.11 -0.31 0.00 0.00 175.10 176.22 3ko3 h LYS 9 N 4.33 0.00 -1.90 4.82 1.57 -1.47 -1.89 116.57 122.02 3ko3 h LYS 9 Ca -0.41 0.00 0.19 0.00 -1.87 0.00 0.00 60.65 58.56 3ko3 h LYS 9 Cb 1.19 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.34 3ko3 h LYS 9 CO 0.40 0.36 0.65 0.20 -0.57 0.00 0.00 179.45 180.49 3ko3 s GLY 10 N -4.49 -0.37 -0.15 3.86 0.00 -1.22 -0.87 107.32 104.07 3ko3 s GLY 10 Ca 0.03 1.09 -0.09 0.00 0.00 0.00 0.00 44.72 45.74 3ko3 s GLY 10 CO 0.75 0.35 0.37 0.00 0.00 0.00 0.00 173.10 174.57 3ko3 s ALA 11 N -2.80 -0.92 -0.16 3.20 0.00 -0.38 -1.00 121.76 119.70 3ko3 s ALA 11 Ca 0.08 1.30 0.01 0.00 0.00 0.00 0.00 51.96 53.35 3ko3 s ALA 11 Cb -0.00 -0.78 0.01 0.00 0.00 0.00 0.00 23.12 22.34 3ko3 s ALA 11 CO -0.06 -0.23 -0.18 0.42 0.00 0.00 0.00 175.76 175.72 3ko3 s ILE 12 N 1.04 2.38 -0.10 0.00 1.01 0.03 -0.67 121.20 124.90 3ko3 s ILE 12 Ca -0.07 -0.86 -0.01 0.00 0.00 0.00 0.00 60.65 59.72 3ko3 s ILE 12 Cb -0.07 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.37 3ko3 s ILE 12 CO -0.08 0.52 -0.05 -0.22 0.00 0.00 0.00 174.94 175.11 3ko3 s LEU 13 N 1.00 3.22 0.01 2.97 0.20 0.11 -1.96 118.68 124.23 3ko3 s LEU 13 Ca -0.02 -0.05 -0.03 0.00 0.69 0.00 0.00 54.13 54.72 3ko3 s LEU 13 Cb -0.15 -1.73 -0.01 0.00 -0.43 0.00 0.00 46.19 43.87 3ko3 s LEU 13 CO -0.04 0.30 0.04 -0.94 -0.29 0.00 0.00 176.35 175.41 3ko3 s SER 14 N -0.40 0.14 0.48 3.68 1.04 -0.76 -1.25 113.70 116.63 3ko3 s SER 14 Ca 0.06 -0.34 0.02 0.00 0.48 0.00 0.00 55.95 56.17 3ko3 s SER 14 Cb -0.12 0.14 -0.02 0.00 0.10 0.00 0.00 66.02 66.11 3ko3 s SER 14 CO 0.02 -0.30 0.02 0.68 0.98 0.00 0.00 173.24 174.64 3ko3 s VAL 15 N -1.30 1.23 -0.18 5.02 -7.23 -0.01 -0.37 120.40 117.55 3ko3 s VAL 15 Ca -0.14 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 57.87 3ko3 s VAL 15 Cb -0.08 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 3ko3 s VAL 15 CO 0.00 0.00 0.38 -0.13 -0.31 0.00 0.00 175.10 175.04 3ko3 s ARG 16 N -3.84 4.22 0.00 4.82 0.52 -1.26 -0.69 118.95 122.73 3ko3 s ARG 16 Ca 0.13 0.21 0.00 0.00 -0.52 0.00 0.00 55.73 55.54 3ko3 s ARG 16 Cb 0.03 -3.49 0.00 0.00 0.52 0.00 0.00 34.95 32.01 3ko3 s ARG 16 CO 0.07 0.07 0.00 1.17 0.02 0.00 0.00 175.30 176.63 3ko3 n LYS 17 N 4.10 0.00 -0.15 3.54 3.00 -1.26 -4.94 118.16 122.45 3ko3 n LYS 17 Ca -0.09 0.00 0.14 0.00 -0.00 0.00 0.00 58.31 58.36 3ko3 n LYS 17 Cb 0.51 0.00 0.25 0.00 0.00 0.00 0.00 35.03 35.79 3ko3 n LYS 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3ko3 n LYS 25 N 0.00 -0.02 -0.04 1.64 0.00 -1.26 -4.29 118.16 114.19 3ko3 n LYS 25 Ca 0.00 0.54 -0.14 0.00 0.00 0.00 0.00 58.31 58.70 3ko3 n LYS 25 Cb 0.00 -1.00 -0.08 0.00 0.00 0.00 0.00 35.03 33.95 3ko3 n LYS 25 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 3ko3 h GLU 26 N 0.00 0.37 -6.58 1.64 4.81 -2.01 -3.44 114.58 109.37 3ko3 h GLU 26 Ca 0.35 -0.26 -0.52 0.00 -0.13 0.00 0.00 59.36 58.79 3ko3 h GLU 26 Cb 0.99 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.41 3ko3 h GLU 26 CO -0.27 0.88 0.47 -0.51 -0.73 0.00 0.00 179.01 178.85 3ko3 s LEU 27 N -8.81 4.45 -0.10 1.64 1.43 -1.26 -4.47 118.68 111.56 3ko3 s LEU 27 Ca -0.14 2.00 0.04 0.00 -1.03 0.00 0.00 54.13 55.00 3ko3 s LEU 27 Cb 0.04 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.67 3ko3 s LEU 27 CO 0.77 -0.27 -0.24 -0.70 0.23 0.00 0.00 176.35 176.15 3ko3 s GLU 28 N 0.15 3.05 -0.02 1.70 2.12 0.14 -4.89 118.70 120.93 3ko3 s GLU 28 Ca 0.52 -0.88 -0.30 0.00 0.36 0.00 0.00 54.97 54.67 3ko3 s GLU 28 Cb -0.28 -2.31 -0.05 0.00 0.26 0.00 0.00 34.13 31.75 3ko3 s GLU 28 CO 0.32 0.17 1.39 0.42 -0.54 0.00 0.00 175.26 177.02 3ko3 s ILE 29 N 0.37 3.81 -0.45 -3.70 1.01 -1.26 -0.83 121.20 120.14 3ko3 s ILE 29 Ca -0.18 1.16 0.06 0.00 0.00 0.00 0.00 60.65 61.69 3ko3 s ILE 29 Cb -0.18 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 3ko3 s ILE 29 CO 0.08 -0.02 0.39 2.30 0.00 0.00 0.00 174.94 177.69 3ko3 n ILE 30 N 4.77 0.00 -3.64 2.92 -5.35 -0.38 -4.95 119.36 112.73 3ko3 n ILE 30 Ca 0.13 -0.39 -0.10 0.00 -0.27 0.00 0.00 62.75 62.12 3ko3 n ILE 30 Cb 0.44 1.04 -0.07 0.00 -1.74 0.00 0.00 39.64 39.31 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 -1.33 -0.58 -0.01 7.28 0.15 -1.17 -5.05 113.70 112.98 3ko3 s SER 31 Ca 0.04 1.10 -0.16 0.00 0.70 0.00 0.00 55.95 57.62 3ko3 s SER 31 Cb 0.05 1.13 0.03 0.00 -1.71 0.00 0.00 66.02 65.52 3ko3 s SER 31 CO 0.21 -0.19 0.34 -1.83 1.20 0.00 0.00 173.24 172.98 3ko3 s GLU 32 N 0.43 0.72 0.05 5.44 1.03 -1.26 0.08 118.70 125.19 3ko3 s GLU 32 Ca 0.01 -0.18 0.00 0.00 0.03 0.00 0.00 54.97 54.83 3ko3 s GLU 32 Cb -0.05 0.32 -0.03 0.00 -0.80 0.00 0.00 34.13 33.57 3ko3 s GLU 32 CO -0.05 -0.20 -0.04 0.96 -1.33 0.00 0.00 175.26 174.59 3ko3 s ILE 33 N -1.41 0.33 0.00 1.83 -4.36 0.15 -5.00 121.20 112.73 3ko3 s ILE 33 Ca -0.13 -1.58 0.00 0.00 -0.26 0.00 0.00 60.65 58.68 3ko3 s ILE 33 Cb -0.04 -1.21 0.00 0.00 1.25 0.00 0.00 42.46 42.46 3ko3 s ILE 33 CO 0.04 -0.81 0.00 0.29 0.24 0.00 0.00 174.94 174.70 3ko3 n LYS 34 N 0.51 1.93 -1.68 0.37 5.02 -1.26 -1.25 118.16 121.80 3ko3 n LYS 34 Ca -0.16 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.71 3ko3 n LYS 34 Cb 0.59 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.61 3ko3 n LYS 34 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3ko3 n ASN 35 N 0.00 2.26 0.00 4.39 3.02 -0.05 -3.46 115.26 121.42 3ko3 n ASN 35 Ca 0.00 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.65 3ko3 n ASN 35 Cb 0.00 -1.46 0.00 0.00 -0.61 0.00 0.00 39.78 37.71 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 0.90 0.07 3.07 7.41 0.00 -0.71 -1.71 105.19 114.23 3ko3 n GLY 36 Ca 0.07 -1.09 -0.19 0.00 0.00 0.00 0.00 46.02 44.82 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 2.09 -0.20 0.99 1.43 -0.88 -0.86 118.68 121.25 3ko3 s LEU 37 Ca 0.00 -0.30 -0.08 0.00 -1.03 0.00 0.00 54.13 52.71 3ko3 s LEU 37 Cb 0.00 -0.50 -0.04 0.00 0.03 0.00 0.00 46.19 45.68 3ko3 s LEU 37 CO 0.00 0.06 0.08 -0.51 0.23 0.00 0.00 176.35 176.21 3ko3 s ILE 38 N -0.55 4.88 -0.28 -0.59 2.07 -0.71 -0.06 121.20 125.97 3ko3 s ILE 38 Ca 0.02 0.01 0.02 0.00 -1.41 0.00 0.00 60.65 59.28 3ko3 s ILE 38 Cb -0.06 -3.22 0.06 0.00 0.13 0.00 0.00 42.46 39.37 3ko3 s ILE 38 CO 0.00 0.43 -0.06 0.00 -1.91 0.00 0.00 174.94 173.40 3ko3 s PHE 40 N 1.11 2.61 -0.20 0.00 0.08 -0.73 0.90 117.98 121.75 3ko3 s PHE 40 Ca -0.05 -0.07 -0.12 0.00 0.12 0.00 0.00 56.93 56.81 3ko3 s PHE 40 Cb -0.20 -4.33 -0.05 0.00 -0.57 0.00 0.00 43.02 37.87 3ko3 s PHE 40 CO -0.04 -1.63 0.20 -1.17 -0.10 0.00 0.00 175.22 172.48 3ko3 s LEU 41 N 4.57 4.19 -0.22 -0.37 2.96 0.27 -2.08 118.68 128.00 3ko3 s LEU 41 Ca 0.32 0.30 0.02 0.00 -0.22 0.00 0.00 54.13 54.54 3ko3 s LEU 41 Cb -0.12 -2.21 0.04 0.00 0.50 0.00 0.00 46.19 44.41 3ko3 s LEU 41 CO 0.17 0.10 -0.16 -0.83 -1.32 0.00 0.00 176.35 174.32 3ko3 s GLY 42 N 0.64 1.52 -0.27 7.98 0.00 0.13 0.29 107.32 117.60 3ko3 s GLY 42 Ca 0.11 -1.47 -0.17 0.00 0.00 0.00 0.00 44.72 43.19 3ko3 s GLY 42 CO 0.02 0.43 0.49 -0.42 0.00 0.00 0.00 173.10 173.62 3ko3 s ILE 43 N 1.21 5.08 0.13 0.90 1.01 -1.26 0.53 121.20 128.81 3ko3 s ILE 43 Ca -0.01 0.80 -0.30 0.00 0.00 0.00 0.00 60.65 61.14 3ko3 s ILE 43 Cb -0.16 -3.81 -0.06 0.00 0.01 0.00 0.00 42.46 38.43 3ko3 s ILE 43 CO -0.09 0.08 0.97 -2.28 0.00 0.00 0.00 174.94 173.62 3ko3 s HIS 44 N 2.28 3.81 0.52 3.97 2.46 -1.26 -3.03 115.29 124.04 3ko3 s HIS 44 Ca 0.20 1.79 0.44 0.00 0.47 0.00 0.00 55.06 57.97 3ko3 s HIS 44 Cb -0.16 -3.07 1.65 0.00 -0.13 0.00 0.00 32.58 30.88 3ko3 s HIS 44 CO 0.09 0.15 1.59 -0.22 -2.47 0.00 0.00 174.74 173.89 3ko3 h LYS 45 N 5.37 0.01 -0.51 2.88 3.64 -0.80 0.32 116.57 127.47 3ko3 h LYS 45 Ca -0.43 -0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 58.62 3ko3 h LYS 45 Cb 1.21 -0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 32.82 3ko3 h LYS 45 CO 0.71 0.01 -0.18 0.09 -2.27 0.00 0.00 179.45 177.81 3ko3 n ASN 46 N -4.19 3.67 -4.71 4.20 3.02 -1.26 -4.80 115.26 111.20 3ko3 n ASN 46 Ca 0.42 -3.79 -0.39 0.00 -0.03 0.00 0.00 54.58 50.78 3ko3 n ASN 46 Cb 1.83 -0.60 -0.05 0.00 -0.61 0.00 0.00 39.78 40.36 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 -2.77 6.87 0.83 6.41 1.01 0.10 -5.03 116.67 124.09 3ko3 s ASP 47 Ca 0.48 1.05 -0.11 0.00 0.71 0.00 0.00 52.55 54.69 3ko3 s ASP 47 Cb 0.42 -2.37 0.13 0.00 1.01 0.00 0.00 42.92 42.10 3ko3 s ASP 47 CO 0.00 -0.11 1.17 0.42 0.21 0.00 0.00 175.17 176.86 3ko3 s THR 48 N 0.93 2.08 -0.76 -1.27 -4.23 -1.26 -4.97 115.64 106.17 3ko3 s THR 48 Ca 0.34 -0.14 0.20 0.00 -1.18 0.00 0.00 61.69 60.91 3ko3 s THR 48 Cb -0.17 -2.95 0.19 0.00 1.34 0.00 0.00 72.50 70.92 3ko3 s THR 48 CO 0.15 0.00 1.62 1.87 -0.54 0.00 0.00 174.62 177.72 3ko3 n TRP 49 N -3.33 0.41 0.01 3.99 -0.00 -1.26 -3.03 117.44 114.24 3ko3 n TRP 49 Ca 0.12 0.16 -0.13 0.00 -0.00 0.00 0.00 57.50 57.64 3ko3 n TRP 49 Cb 0.60 -0.75 -0.09 0.00 -0.00 0.00 0.00 31.31 31.07 3ko3 n TRP 49 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 177.69 178.62 3ko3 h GLU 50 N 0.00 -0.05 -0.58 5.87 4.39 -2.00 -2.47 114.58 119.75 3ko3 h GLU 50 Ca 0.00 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.82 3ko3 h GLU 50 Cb 0.35 0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 28.91 3ko3 h GLU 50 CO 0.00 0.36 0.02 -0.44 -1.16 0.00 0.00 179.01 177.79 3ko3 h ASP 51 N -0.47 -0.22 -0.81 1.42 3.32 -1.93 -0.72 116.42 117.00 3ko3 h ASP 51 Ca -0.01 0.14 0.15 0.00 0.02 0.00 0.00 57.03 57.33 3ko3 h ASP 51 Cb 0.43 0.24 -0.10 0.00 0.22 0.00 0.00 39.33 40.13 3ko3 h ASP 51 CO 0.01 -0.09 0.37 0.00 -1.72 0.00 0.00 179.24 177.81 3ko3 h ALA 52 N 1.52 1.20 -0.09 3.45 0.00 -1.53 -2.15 119.26 121.65 3ko3 h ALA 52 Ca 0.30 0.11 -0.14 0.00 0.00 0.00 0.00 54.91 55.18 3ko3 h ALA 52 Cb 0.47 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3ko3 h ALA 52 CO -0.48 -0.17 -0.55 -0.07 0.00 0.00 0.00 179.25 177.98 3ko3 h LEU 53 N 0.52 0.29 -0.25 0.00 3.38 -0.68 -2.23 115.31 116.35 3ko3 h LEU 53 Ca 0.45 -0.16 -0.21 0.00 0.09 0.00 0.00 57.88 58.05 3ko3 h LEU 53 Cb 0.68 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3ko3 h LEU 53 CO -0.40 0.78 -0.84 0.22 0.09 0.00 0.00 178.44 178.30 3ko3 h TYR 54 N 0.21 0.71 0.06 1.13 3.20 -0.89 0.32 116.97 121.70 3ko3 h TYR 54 Ca 0.00 -0.34 -0.00 0.00 3.14 0.00 0.00 58.73 61.53 3ko3 h TYR 54 Cb 1.03 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.20 3ko3 h TYR 54 CO 0.02 1.14 -0.03 0.82 -1.64 0.00 0.00 178.16 178.47 3ko3 h ILE 55 N 0.32 0.98 -0.66 1.81 1.08 -1.29 -1.60 117.51 118.15 3ko3 h ILE 55 Ca -0.06 -0.12 -0.01 0.00 -0.39 0.00 0.00 64.86 64.28 3ko3 h ILE 55 Cb 1.45 1.06 -0.03 0.00 -3.07 0.00 0.00 36.82 36.22 3ko3 h ILE 55 CO 0.15 0.03 0.37 0.40 -0.69 0.00 0.00 178.15 178.41 3ko3 h ILE 56 N -0.13 1.20 -0.01 -0.67 2.04 -1.26 -0.84 117.51 117.84 3ko3 h ILE 56 Ca -0.01 -0.50 0.02 0.00 1.00 0.00 0.00 64.86 65.37 3ko3 h ILE 56 Cb 0.11 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 3ko3 h ILE 56 CO 0.01 0.22 -0.09 -0.09 0.00 0.00 0.00 178.15 178.21 3ko3 h ARG 57 N 0.90 -0.14 -0.24 2.37 2.43 -0.77 -2.16 114.38 116.77 3ko3 h ARG 57 Ca 0.23 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.37 3ko3 h ARG 57 Cb 0.03 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 3ko3 h ARG 57 CO -0.04 -0.09 0.00 0.87 -1.51 0.00 0.00 179.97 179.20 3ko3 h LYS 58 N -0.15 0.43 -0.67 0.20 1.79 -0.78 -1.36 116.57 116.03 3ko3 h LYS 58 Ca 0.04 -0.13 0.10 0.00 -2.18 0.00 0.00 60.65 58.48 3ko3 h LYS 58 Cb 0.19 -0.04 -0.08 0.00 -1.58 0.00 0.00 32.23 30.73 3ko3 h LYS 58 CO -0.09 0.60 0.28 0.00 -1.08 0.00 0.00 179.45 179.15 3ko3 h LEU 60 N 0.47 0.00 -0.22 0.00 3.38 -1.17 -3.38 115.31 114.39 3ko3 h LEU 60 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3ko3 h LEU 60 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3ko3 h LEU 60 CO -0.32 0.50 0.00 0.59 0.09 0.00 0.00 178.44 179.31 3ko3 n ASN 61 N -3.28 0.22 -4.70 -0.43 3.02 -0.53 -3.76 115.26 105.80 3ko3 n ASN 61 Ca 0.02 -0.58 -0.42 0.00 -0.03 0.00 0.00 54.58 53.56 3ko3 n ASN 61 Cb 0.71 0.67 -0.03 0.00 -0.61 0.00 0.00 39.78 40.52 3ko3 n ASN 61 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ko3 s LEU 62 N -1.34 4.37 -0.58 3.41 1.43 0.19 -4.67 118.68 121.49 3ko3 s LEU 62 Ca 0.00 2.62 -0.22 0.00 -1.03 0.00 0.00 54.13 55.50 3ko3 s LEU 62 Cb 0.00 -3.58 0.06 0.00 0.03 0.00 0.00 46.19 42.70 3ko3 s LEU 62 CO 0.00 -0.90 0.85 -0.13 0.23 0.00 0.00 176.35 176.40 3ko3 s ARG 63 N 2.11 3.19 0.00 1.70 0.52 -1.26 -4.12 118.95 121.08 3ko3 s ARG 63 Ca 0.74 -0.68 0.03 0.00 -0.52 0.00 0.00 55.73 55.31 3ko3 s ARG 63 Cb -0.43 -4.14 -0.03 0.00 0.52 0.00 0.00 34.95 30.87 3ko3 s ARG 63 CO 0.33 -1.53 0.16 1.28 0.02 0.00 0.00 175.30 175.56 3ko3 n LEU 64 N 7.14 0.21 -4.62 2.53 4.77 -0.28 -4.22 117.00 122.53 3ko3 n LEU 64 Ca -0.03 -0.52 -0.28 0.00 -0.03 0.00 0.00 56.01 55.15 3ko3 n LEU 64 Cb 0.46 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.46 3ko3 n LEU 64 CO 0.61 0.05 -0.37 0.26 -1.33 0.00 0.00 177.39 176.61 3ko3 s TRP 65 N -1.26 2.78 -0.08 -1.77 0.51 -0.49 -4.76 118.94 113.86 3ko3 s TRP 65 Ca 0.01 -0.15 -0.19 0.00 -2.12 0.00 0.00 56.10 53.65 3ko3 s TRP 65 Cb 0.03 -1.38 -0.04 0.00 -0.81 0.00 0.00 33.47 31.26 3ko3 s TRP 65 CO 0.13 0.49 0.52 -0.80 -0.51 0.00 0.00 176.95 176.78 3ko3 s ASN 66 N -2.71 6.78 -0.56 2.95 -0.87 -1.26 0.21 114.94 119.49 3ko3 s ASN 66 Ca 0.25 0.93 -0.11 0.00 -1.57 0.00 0.00 52.86 52.36 3ko3 s ASN 66 Cb -0.10 -2.31 0.14 0.00 -0.02 0.00 0.00 41.25 38.96 3ko3 s ASN 66 CO 0.17 0.03 0.46 0.21 -2.57 0.00 0.00 177.10 175.39 3ko3 s ASN 67 N 0.39 5.96 0.59 -1.22 3.04 -0.60 -4.92 114.94 118.17 3ko3 s ASN 67 Ca 0.28 -2.07 0.00 0.00 0.04 0.00 0.00 52.86 51.11 3ko3 s ASN 67 Cb -0.16 -2.08 0.00 0.00 -1.54 0.00 0.00 41.25 37.47 3ko3 s ASN 67 CO 0.13 -0.70 0.00 0.47 -3.04 0.00 0.00 177.10 173.96 3ko3 n ASP 68 N 4.74 0.00 -0.21 -4.21 10.43 -1.26 -0.21 116.55 125.84 3ko3 n ASP 68 Ca -0.05 0.00 -0.01 0.00 2.57 0.00 0.00 54.79 57.30 3ko3 n ASP 68 Cb 0.41 0.00 0.05 0.00 1.84 0.00 0.00 41.12 43.43 3ko3 n ASP 68 CO 0.00 0.00 0.00 0.78 -1.07 0.00 0.00 177.20 176.91 3ko3 h ASN 69 N 0.00 -0.66 -2.12 -2.24 2.35 -2.04 -3.42 115.58 107.45 3ko3 h ASN 69 Ca 0.00 0.19 -0.57 0.00 -0.55 0.00 0.00 56.30 55.38 3ko3 h ASN 69 Cb 0.00 0.41 0.01 0.00 0.05 0.00 0.00 38.32 38.79 3ko3 h ASN 69 CO 0.00 -0.22 1.38 0.29 -1.65 0.00 0.00 177.43 177.23 3ko3 n LYS 70 N -5.43 2.34 -2.83 0.81 5.02 0.71 -4.97 118.16 113.81 3ko3 n LYS 70 Ca 0.07 0.75 -0.32 0.00 -2.02 0.00 0.00 58.31 56.79 3ko3 n LYS 70 Cb 0.33 -3.12 -0.05 0.00 -0.02 0.00 0.00 35.03 32.16 3ko3 n LYS 70 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3ko3 s THR 71 N 6.63 4.56 -1.17 -0.18 -4.23 -1.26 -1.56 115.64 118.44 3ko3 s THR 71 Ca 0.96 1.14 -0.29 0.00 -1.18 0.00 0.00 61.69 62.32 3ko3 s THR 71 Cb -0.39 -3.65 0.03 0.00 1.34 0.00 0.00 72.50 69.83 3ko3 s THR 71 CO 0.39 -0.39 0.72 0.79 -0.54 0.00 0.00 174.62 175.59 3ko3 n TRP 72 N -0.86 -1.59 -0.06 3.99 7.02 -1.26 -4.91 117.44 119.78 3ko3 n TRP 72 Ca 0.05 0.22 -0.11 0.00 -1.02 0.00 0.00 57.50 56.64 3ko3 n TRP 72 Cb 0.54 -3.00 -0.05 0.00 -2.42 0.00 0.00 31.31 26.38 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 -2.33 1.63 -4.56 -0.99 2.03 0.83 -4.72 116.55 108.44 3ko3 n ASP 73 Ca -0.11 0.07 -0.32 0.00 0.52 0.00 0.00 54.79 54.95 3ko3 n ASP 73 Cb 0.58 -0.29 -0.11 0.00 -0.72 0.00 0.00 41.12 40.58 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 -2.22 2.54 0.65 -0.67 -0.14 0.13 -4.82 119.74 115.20 3ko3 s LYS 74 Ca -0.16 -0.71 -0.01 0.00 -1.36 0.00 0.00 55.97 53.73 3ko3 s LYS 74 Cb 0.05 -2.47 0.07 0.00 -1.68 0.00 0.00 37.83 33.81 3ko3 s LYS 74 CO 0.22 0.61 0.90 0.54 -0.76 0.00 0.00 175.35 176.87 3ko3 s ASN 75 N -1.18 4.82 0.32 2.83 2.20 -1.26 -1.12 114.94 121.55 3ko3 s ASN 75 Ca 0.15 -0.05 0.00 0.00 -0.94 0.00 0.00 52.86 52.02 3ko3 s ASN 75 Cb -0.11 -0.60 0.52 0.00 -2.00 0.00 0.00 41.25 39.06 3ko3 s ASN 75 CO 0.05 -1.51 1.94 1.62 -2.94 0.00 0.00 177.10 176.26 3ko3 h VAL 76 N -0.29 1.19 -0.05 3.54 3.04 -1.74 -2.73 116.25 119.21 3ko3 h VAL 76 Ca -0.41 -0.49 -0.00 0.00 -1.01 0.00 0.00 66.70 64.79 3ko3 h VAL 76 Cb 1.29 0.33 -0.00 0.00 -2.01 0.00 0.00 31.29 30.90 3ko3 h VAL 76 CO 0.49 0.22 0.01 0.11 -1.01 0.00 0.00 177.57 177.39 3ko3 h LYS 77 N 0.89 0.08 -0.06 4.17 1.57 -1.84 -1.09 116.57 120.29 3ko3 h LYS 77 Ca 0.23 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.00 3ko3 h LYS 77 Cb 0.03 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3ko3 h LYS 77 CO -0.04 0.29 -0.17 -0.44 -0.57 0.00 0.00 179.45 178.52 3ko3 h ASP 78 N -0.14 -0.55 0.23 0.86 3.32 -1.81 -2.13 116.42 116.19 3ko3 h ASP 78 Ca 0.02 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3ko3 h ASP 78 Cb 0.25 0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3ko3 h ASP 78 CO 0.00 -0.15 0.00 0.18 -1.72 0.00 0.00 179.24 177.55 3ko3 n LEU 79 N -3.48 0.07 0.00 1.55 4.77 -1.08 -4.84 117.00 113.99 3ko3 n LEU 79 Ca -0.02 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 3ko3 n LEU 79 Cb 0.12 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 3ko3 n LEU 79 CO 0.02 -0.44 0.00 -3.20 -1.33 0.00 0.00 177.39 172.45 3ko3 n ASN 80 N -1.58 -2.69 -4.80 -1.43 5.15 -0.80 -5.04 115.26 104.06 3ko3 n ASN 80 Ca 0.01 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.70 3ko3 n ASN 80 Cb 0.08 -0.45 0.10 0.00 -0.53 0.00 0.00 39.78 38.98 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 -2.00 2.76 0.50 1.20 2.02 -0.46 -5.02 117.35 116.36 3ko3 s TYR 81 Ca 0.00 0.68 0.08 0.00 -0.37 0.00 0.00 57.07 57.45 3ko3 s TYR 81 Cb 0.00 -3.57 0.04 0.00 -0.40 0.00 0.00 41.96 38.03 3ko3 s TYR 81 CO 0.00 -1.88 0.68 -1.21 -1.57 0.00 0.00 175.55 171.57 3ko3 s GLU 82 N -5.61 2.58 -0.02 -0.62 2.02 -0.69 -4.71 118.70 111.65 3ko3 s GLU 82 Ca 0.64 -1.32 0.03 0.00 0.02 0.00 0.00 54.97 54.34 3ko3 s GLU 82 Cb -0.10 -2.68 -0.00 0.00 0.10 0.00 0.00 34.13 31.45 3ko3 s GLU 82 CO 0.49 -0.55 -0.11 -0.51 0.02 0.00 0.00 175.26 174.60 3ko3 s LEU 83 N -4.53 1.93 -0.32 1.80 1.02 0.16 -2.07 118.68 116.66 3ko3 s LEU 83 Ca 0.58 -0.22 -0.06 0.00 0.02 0.00 0.00 54.13 54.46 3ko3 s LEU 83 Cb -0.08 -0.62 0.03 0.00 0.02 0.00 0.00 46.19 45.54 3ko3 s LEU 83 CO 0.36 0.12 0.08 -0.22 0.02 0.00 0.00 176.35 176.70 3ko3 s LEU 84 N -0.07 4.11 -0.31 1.79 2.96 0.92 0.93 118.68 129.01 3ko3 s LEU 84 Ca 0.01 -1.06 -0.16 0.00 -0.22 0.00 0.00 54.13 52.70 3ko3 s LEU 84 Cb -0.07 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.77 3ko3 s LEU 84 CO 0.00 -0.28 0.42 -0.63 -1.32 0.00 0.00 176.35 174.54 3ko3 s ILE 85 N 1.40 5.12 -0.14 6.68 -1.09 0.24 0.28 121.20 133.68 3ko3 s ILE 85 Ca -0.01 0.40 0.02 0.00 -2.23 0.00 0.00 60.65 58.83 3ko3 s ILE 85 Cb -0.19 -3.82 0.01 0.00 -1.58 0.00 0.00 42.46 36.88 3ko3 s ILE 85 CO 0.02 -0.02 -0.21 -0.69 -1.23 0.00 0.00 174.94 172.80 3ko3 s VAL 86 N 2.17 2.11 0.35 2.92 1.01 0.26 -3.82 120.40 125.40 3ko3 s VAL 86 Ca 0.16 -0.96 -0.28 0.00 0.00 0.00 0.00 61.98 60.90 3ko3 s VAL 86 Cb -0.16 -1.85 -0.09 0.00 0.00 0.00 0.00 36.38 34.28 3ko3 s VAL 86 CO 0.11 0.55 1.25 -0.55 0.00 0.00 0.00 175.10 176.46 3ko3 s SER 87 N 0.83 6.69 -0.46 3.32 0.15 -1.26 0.94 113.70 123.90 3ko3 s SER 87 Ca -0.07 2.56 0.07 0.00 0.70 0.00 0.00 55.95 59.21 3ko3 s SER 87 Cb -0.15 -2.64 0.18 0.00 -1.71 0.00 0.00 66.02 61.70 3ko3 s SER 87 CO -0.02 -0.58 0.65 -1.58 1.20 0.00 0.00 173.24 172.91 3ko3 s GLN 88 N -1.94 0.93 0.50 5.44 2.00 0.14 -4.78 119.66 121.95 3ko3 s GLN 88 Ca 0.52 -0.75 0.28 0.00 -2.00 0.00 0.00 55.36 53.41 3ko3 s GLN 88 Cb -0.37 -0.09 1.24 0.00 0.80 0.00 0.00 33.01 34.60 3ko3 s GLN 88 CO 0.48 -1.26 1.95 0.27 -0.50 0.00 0.00 175.29 176.23 3ko3 h PHE 89 N 6.03 0.00 0.00 1.67 -5.15 -1.94 -3.15 116.94 114.40 3ko3 h PHE 89 Ca 0.06 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.83 3ko3 h PHE 89 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.30 3ko3 h PHE 89 CO 0.14 0.13 0.00 1.79 -2.00 0.00 0.00 178.31 178.37 3ko3 h THR 90 N 0.00 0.00 0.00 0.88 1.35 -1.94 -1.09 112.91 112.10 3ko3 h THR 90 Ca -0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 3ko3 h THR 90 Cb 0.55 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 67.87 3ko3 h THR 90 CO 0.02 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.47 3ko3 n LEU 91 N -2.87 0.33 -1.09 3.87 4.77 -1.19 -0.53 117.00 120.29 3ko3 n LEU 91 Ca -0.02 0.64 0.08 0.00 -0.03 0.00 0.00 56.01 56.68 3ko3 n LEU 91 Cb 0.08 -0.66 0.26 0.00 -2.33 0.00 0.00 43.42 40.77 3ko3 n LEU 91 CO 0.18 -0.70 0.72 0.49 -1.33 0.00 0.00 177.39 176.76 3ko3 n PHE 92 N -1.92 0.95 -1.59 -1.77 3.72 -0.41 -4.95 117.46 111.48 3ko3 n PHE 92 Ca -0.00 -0.60 -0.39 0.00 -0.05 0.00 0.00 57.45 56.40 3ko3 n PHE 92 Cb 0.05 -0.15 -0.03 0.00 -0.94 0.00 0.00 39.48 38.42 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 -1.14 -0.02 0.01 1.37 0.00 0.31 -4.63 107.32 103.22 3ko3 s GLY 93 Ca 0.39 0.34 -0.30 0.00 0.00 0.00 0.00 44.72 45.15 3ko3 s GLY 93 CO 0.20 3.98 1.67 0.21 0.00 0.00 0.00 173.10 179.16 3ko3 s ASN 94 N 10.42 6.63 -0.05 1.64 3.84 0.10 -4.80 114.94 132.73 3ko3 s ASN 94 Ca 0.98 2.38 0.07 0.00 0.21 0.00 0.00 52.86 56.50 3ko3 s ASN 94 Cb -0.24 -2.55 0.10 0.00 -0.55 0.00 0.00 41.25 38.02 3ko3 s ASN 94 CO 0.30 -0.91 1.00 0.35 -2.79 0.00 0.00 177.10 175.05 3ko3 n THR 95 N 5.12 0.77 0.27 -5.21 -2.24 -1.26 -1.86 114.28 109.86 3ko3 n THR 95 Ca 0.17 -0.90 -0.11 0.00 -2.27 0.00 0.00 64.05 60.93 3ko3 n THR 95 Cb 0.42 0.29 -0.05 0.00 -2.10 0.00 0.00 70.33 68.88 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 -0.69 -5.72 -0.78 1.57 -1.97 -3.43 116.57 105.55 3ko3 h LYS 96 Ca 0.00 0.05 -0.60 0.00 -1.87 0.00 0.00 60.65 58.23 3ko3 h LYS 96 Cb 1.13 0.16 -0.09 0.00 0.08 0.00 0.00 32.23 33.50 3ko3 h LYS 96 CO 0.00 -0.46 0.37 0.21 -0.57 0.00 0.00 179.45 179.00 3ko3 s LYS 97 N -4.07 4.17 0.72 3.15 2.47 -1.26 -4.96 119.74 119.96 3ko3 s LYS 97 Ca -0.10 0.83 0.00 0.00 -1.56 0.00 0.00 55.97 55.13 3ko3 s LYS 97 Cb 0.01 -3.64 0.00 0.00 -1.46 0.00 0.00 37.83 32.74 3ko3 s LYS 97 CO 0.31 -0.47 0.00 0.41 0.16 0.00 0.00 175.35 175.77 3ko3 n GLY 98 N 3.85 -2.15 0.05 5.54 0.00 -1.26 -4.71 105.19 106.51 3ko3 n GLY 98 Ca 0.04 -1.46 0.02 0.00 0.00 0.00 0.00 46.02 44.61 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 0.41 0.58 -4.58 1.61 5.03 -1.26 -4.89 115.26 112.15 3ko3 n ASN 99 Ca 0.00 -0.79 -0.41 0.00 0.87 0.00 0.00 54.58 54.25 3ko3 n ASN 99 Cb 0.00 0.63 -0.08 0.00 -1.02 0.00 0.00 39.78 39.31 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 -0.93 3.80 0.02 3.52 2.20 -1.26 -5.05 119.74 122.04 3ko3 s LYS 100 Ca 0.02 0.05 -0.30 0.00 -0.36 0.00 0.00 55.97 55.38 3ko3 s LYS 100 Cb 0.03 -3.75 -0.06 0.00 -1.51 0.00 0.00 37.83 32.54 3ko3 s LYS 100 CO 0.10 -0.55 1.40 -2.14 -0.36 0.00 0.00 175.35 173.80 3ko3 s PRO 101 N 2.41 4.29 -0.11 4.03 0.02 -1.26 -4.91 135.00 139.47 3ko3 s PRO 101 Ca 0.20 1.98 -0.16 0.00 0.02 0.00 0.00 61.00 63.04 3ko3 s PRO 101 Cb -0.15 -3.52 -0.05 0.00 0.02 0.00 0.00 34.50 30.80 3ko3 s PRO 101 CO 0.12 -0.55 0.41 0.34 -0.33 0.00 0.00 177.00 176.99 3ko3 s ASP 102 N 1.76 6.64 -0.19 2.53 2.15 -0.78 -4.81 116.67 123.98 3ko3 s ASP 102 Ca 0.64 0.76 0.16 0.00 0.43 0.00 0.00 52.55 54.54 3ko3 s ASP 102 Cb -0.32 -2.25 0.56 0.00 -0.30 0.00 0.00 42.92 40.61 3ko3 s ASP 102 CO 0.27 0.09 1.46 0.49 -0.17 0.00 0.00 175.17 177.32 3ko3 n PHE 103 N 3.27 1.08 -0.08 -5.34 3.72 -1.26 0.01 117.46 118.86 3ko3 n PHE 103 Ca -0.10 -0.89 0.21 0.00 -0.05 0.00 0.00 57.45 56.62 3ko3 n PHE 103 Cb 0.52 -0.35 0.65 0.00 -0.94 0.00 0.00 39.48 39.37 3ko3 n PHE 103 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3ko3 h HIS 104 N 1.99 0.12 0.00 1.38 3.86 -1.95 -2.13 115.15 118.42 3ko3 h HIS 104 Ca 0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3ko3 h HIS 104 Cb 1.52 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.95 3ko3 h HIS 104 CO 0.58 0.04 0.00 1.28 0.86 0.00 0.00 177.93 180.69 3ko3 n LEU 105 N -4.38 0.00 -4.84 2.43 4.77 -1.26 -4.82 117.00 108.90 3ko3 n LEU 105 Ca 0.13 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.80 3ko3 n LEU 105 Cb 0.68 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.78 3ko3 n LEU 105 CO 0.36 0.00 0.71 0.00 -1.33 0.00 0.00 177.39 177.13 3ko3 s ALA 106 N -2.00 2.90 0.22 -1.18 0.00 -0.81 -0.31 121.76 120.59 3ko3 s ALA 106 Ca 0.38 0.11 -0.30 0.00 0.00 0.00 0.00 51.96 52.16 3ko3 s ALA 106 Cb 0.17 -3.15 -0.08 0.00 0.00 0.00 0.00 23.12 20.07 3ko3 s ALA 106 CO 0.29 -0.77 1.07 0.21 0.00 0.00 0.00 175.76 176.56 3ko3 s LYS 107 N -4.69 4.65 -0.02 0.00 2.20 -1.17 -4.05 119.74 116.66 3ko3 s LYS 107 Ca 0.58 1.70 -0.30 0.00 -0.36 0.00 0.00 55.97 57.60 3ko3 s LYS 107 Cb -0.13 -3.25 -0.07 0.00 -1.51 0.00 0.00 37.83 32.87 3ko3 s LYS 107 CO 0.46 0.19 1.83 -2.00 -0.36 0.00 0.00 175.35 175.48 3ko3 s GLU 108 N -0.85 4.10 0.11 4.03 2.12 -1.26 -4.62 118.70 122.33 3ko3 s GLU 108 Ca 0.46 2.36 0.06 0.00 0.36 0.00 0.00 54.97 58.22 3ko3 s GLU 108 Cb -0.30 -4.09 0.41 0.00 0.26 0.00 0.00 34.13 30.41 3ko3 s GLU 108 CO 0.36 -0.98 0.48 -2.30 -0.54 0.00 0.00 175.26 172.29 3ko3 n PRO 109 N 7.43 -0.02 0.18 4.30 -0.02 -1.26 -0.72 135.00 144.89 3ko3 n PRO 109 Ca 0.19 0.42 0.12 0.00 -2.02 0.00 0.00 63.50 62.21 3ko3 n PRO 109 Cb 0.42 -0.75 0.23 0.00 -0.02 0.00 0.00 33.50 33.38 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 0.00 0.28 2.55 2.35 -2.02 -3.10 115.58 115.65 3ko3 h ASN 110 Ca 0.26 -0.01 -0.33 0.00 -0.55 0.00 0.00 56.30 55.67 3ko3 h ASN 110 Cb 0.68 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.00 3ko3 h ASN 110 CO -0.23 0.00 -1.97 -0.62 -1.65 0.00 0.00 177.43 172.96 3ko3 n GLU 111 N -2.83 0.67 -0.27 0.81 1.02 0.10 -3.90 120.64 116.24 3ko3 n GLU 111 Ca 0.04 0.21 0.04 0.00 -0.02 0.00 0.00 57.16 57.44 3ko3 n GLU 111 Cb 0.50 -1.70 0.18 0.00 -0.02 0.00 0.00 31.44 30.41 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 0.78 1.13 0.03 0.62 0.00 -1.60 -2.99 119.26 117.22 3ko3 h ALA 112 Ca -0.39 0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.62 3ko3 h ALA 112 Cb 2.07 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.79 3ko3 h ALA 112 CO 0.06 -0.07 -0.30 1.25 0.00 0.00 0.00 179.25 180.18 3ko3 h LEU 113 N 0.60 -0.90 -0.45 0.00 5.85 -1.65 -0.28 115.31 118.48 3ko3 h LEU 113 Ca 0.41 0.12 0.04 0.00 0.84 0.00 0.00 57.88 59.29 3ko3 h LEU 113 Cb 0.52 0.36 -0.04 0.00 0.37 0.00 0.00 40.66 41.86 3ko3 h LEU 113 CO -0.32 -0.37 0.21 0.40 -0.34 0.00 0.00 178.44 178.01 3ko3 h ILE 114 N -0.47 0.94 0.00 4.05 5.03 -1.68 -1.17 117.51 124.21 3ko3 h ILE 114 Ca 0.06 -0.14 -0.01 0.00 -0.12 0.00 0.00 64.86 64.64 3ko3 h ILE 114 Cb 0.54 0.48 -0.00 0.00 -3.03 0.00 0.00 36.82 34.81 3ko3 h ILE 114 CO -0.24 0.08 -0.07 0.15 -0.68 0.00 0.00 178.15 177.39 3ko3 h PHE 115 N 0.42 0.00 0.12 1.37 3.57 -1.35 -1.15 116.94 119.92 3ko3 h PHE 115 Ca 0.20 0.00 -0.25 0.00 3.53 0.00 0.00 57.97 61.45 3ko3 h PHE 115 Cb 0.13 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.88 3ko3 h PHE 115 CO -0.12 0.07 -1.22 -0.92 -2.23 0.00 0.00 178.31 173.89 3ko3 h TYR 116 N 0.00 0.46 -0.97 0.41 3.20 0.05 -2.61 116.97 117.51 3ko3 h TYR 116 Ca -0.00 -0.34 0.00 0.00 3.14 0.00 0.00 58.73 61.54 3ko3 h TYR 116 Cb 0.50 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.71 3ko3 h TYR 116 CO 0.00 1.48 0.62 -0.91 -1.64 0.00 0.00 178.16 177.70 3ko3 h ASN 117 N -0.35 1.13 -0.10 -2.11 2.35 -1.03 0.11 115.58 115.59 3ko3 h ASN 117 Ca -0.25 -0.04 0.04 0.00 -0.55 0.00 0.00 56.30 55.49 3ko3 h ASN 117 Cb 1.71 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 39.74 3ko3 h ASN 117 CO 0.08 0.84 -0.22 0.50 -1.65 0.00 0.00 177.43 176.98 3ko3 h LYS 118 N 1.32 -0.28 -0.43 0.81 3.64 -1.32 -1.42 116.57 118.88 3ko3 h LYS 118 Ca 0.35 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.72 3ko3 h LYS 118 Cb -0.12 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 3ko3 h LYS 118 CO -0.07 -0.19 0.12 0.82 -2.27 0.00 0.00 179.45 177.86 3ko3 h ILE 119 N -0.29 1.19 -0.25 2.00 2.04 -0.76 -2.30 117.51 119.13 3ko3 h ILE 119 Ca 0.09 -0.65 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 3ko3 h ILE 119 Cb 0.43 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 3ko3 h ILE 119 CO -0.27 0.24 0.03 0.40 0.00 0.00 0.00 178.15 178.55 3ko3 h ILE 120 N 0.63 1.24 -0.31 -0.67 1.08 -0.68 -1.47 117.51 117.32 3ko3 h ILE 120 Ca 0.15 -0.82 0.07 0.00 -0.39 0.00 0.00 64.86 63.86 3ko3 h ILE 120 Cb 0.21 1.29 -0.08 0.00 -3.07 0.00 0.00 36.82 35.17 3ko3 h ILE 120 CO -0.01 0.26 -0.37 0.44 -0.69 0.00 0.00 178.15 177.79 3ko3 h ASP 121 N 0.22 -1.19 -0.84 1.72 3.32 -0.92 -1.47 116.42 117.27 3ko3 h ASP 121 Ca 0.07 0.19 0.01 0.00 0.02 0.00 0.00 57.03 57.32 3ko3 h ASP 121 Cb 0.36 0.53 -0.04 0.00 0.22 0.00 0.00 39.33 40.40 3ko3 h ASP 121 CO 0.01 -0.36 0.55 -0.08 -1.72 0.00 0.00 179.24 177.64 3ko3 h GLU 122 N -0.34 1.10 -0.68 3.56 4.57 -1.41 0.74 114.58 122.13 3ko3 h GLU 122 Ca 0.13 -0.07 0.12 0.00 -1.18 0.00 0.00 59.36 58.36 3ko3 h GLU 122 Cb 0.57 -0.25 -0.08 0.00 -0.16 0.00 0.00 28.75 28.82 3ko3 h GLU 122 CO -0.49 0.73 0.26 0.74 -1.18 0.00 0.00 179.01 179.07 3ko3 h PHE 123 N 1.14 0.45 -0.07 0.92 0.04 -0.83 0.14 116.94 118.73 3ko3 h PHE 123 Ca 0.31 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 61.10 3ko3 h PHE 123 Cb -0.13 -0.10 -0.00 0.00 2.20 0.00 0.00 35.95 37.92 3ko3 h PHE 123 CO -0.01 0.09 -0.00 0.87 -0.60 0.00 0.00 178.31 178.65 3ko3 h LYS 124 N 0.43 0.12 -0.56 1.51 1.57 -0.20 -1.22 116.57 118.21 3ko3 h LYS 124 Ca 0.36 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 59.16 3ko3 h LYS 124 Cb 0.49 -0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.70 3ko3 h LYS 124 CO -0.35 0.40 -0.55 0.87 -0.57 0.00 0.00 179.45 179.24 3ko3 h LYS 125 N -0.17 -0.28 0.00 3.15 1.57 -0.44 -2.89 116.57 117.52 3ko3 h LYS 125 Ca 0.02 0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 3ko3 h LYS 125 Cb 0.34 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3ko3 h LYS 125 CO 0.00 -0.19 -0.39 1.96 -0.57 0.00 0.00 179.45 180.26 3ko3 h GLN 126 N -0.29 0.00 0.00 3.15 4.20 -0.59 -3.43 115.11 118.15 3ko3 h GLN 126 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3ko3 h GLN 126 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 3ko3 h GLN 126 CO -0.69 0.39 0.00 0.98 -0.67 0.00 0.00 178.83 178.85 3ko3 n TYR 127 N -3.84 0.00 -4.20 2.96 9.36 -0.47 -5.10 117.16 115.86 3ko3 n TYR 127 Ca -0.01 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 60.92 3ko3 n TYR 127 Cb 0.46 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 39.14 3ko3 n TYR 127 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3ko3 s ASN 128 N 0.16 4.45 -0.17 2.98 3.84 -1.21 -4.96 114.94 120.04 3ko3 s ASN 128 Ca 0.00 -1.41 0.08 0.00 0.21 0.00 0.00 52.86 51.74 3ko3 s ASN 128 Cb 0.00 0.52 -0.23 0.00 -0.55 0.00 0.00 41.25 40.99 3ko3 s ASN 128 CO 0.00 -1.05 0.17 -0.67 -2.79 0.00 0.00 177.10 172.77 3ko3 n ASP 129 N -1.61 1.11 0.15 -4.21 2.03 -1.26 -4.21 116.55 108.55 3ko3 n ASP 129 Ca -0.08 0.09 0.08 0.00 0.52 0.00 0.00 54.79 55.40 3ko3 n ASP 129 Cb 0.65 0.05 0.06 0.00 -0.72 0.00 0.00 41.12 41.16 3ko3 n ASP 129 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 3ko3 h ASP 130 N 0.01 0.00 1.19 1.67 2.03 -1.97 -3.34 116.42 116.01 3ko3 h ASP 130 Ca -0.48 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.82 3ko3 h ASP 130 Cb 2.07 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.57 3ko3 h ASP 130 CO 0.02 0.20 0.00 0.11 -1.03 0.00 0.00 179.24 178.54 3ko3 h LYS 131 N 0.00 0.00 -4.73 4.15 1.79 -1.95 -3.44 116.57 112.40 3ko3 h LYS 131 Ca -0.02 0.00 -0.68 0.00 -2.18 0.00 0.00 60.65 57.77 3ko3 h LYS 131 Cb 1.17 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.59 3ko3 h LYS 131 CO 0.02 0.00 -0.54 0.42 -1.08 0.00 0.00 179.45 178.28 3ko3 s ILE 132 N -3.22 4.68 -0.06 1.86 -1.09 -1.25 -0.67 121.20 121.44 3ko3 s ILE 132 Ca 0.07 -0.50 -0.01 0.00 -2.23 0.00 0.00 60.65 57.98 3ko3 s ILE 132 Cb 0.11 -3.44 -0.03 0.00 -1.58 0.00 0.00 42.46 37.51 3ko3 s ILE 132 CO 0.52 -0.01 -0.00 -0.54 -1.23 0.00 0.00 174.94 173.67 3ko3 s LYS 133 N 1.61 2.91 0.47 2.79 3.01 0.26 -4.98 119.74 125.82 3ko3 s LYS 133 Ca 0.04 -0.47 0.05 0.00 -1.01 0.00 0.00 55.97 54.58 3ko3 s LYS 133 Cb -0.18 -2.74 -0.03 0.00 -1.01 0.00 0.00 37.83 33.87 3ko3 s LYS 133 CO 0.07 0.68 0.11 0.96 0.51 0.00 0.00 175.35 177.68 3ko3 s ILE 134 N -0.93 1.74 0.00 2.17 -4.36 -1.26 -0.59 121.20 117.97 3ko3 s ILE 134 Ca 0.15 -1.84 0.00 0.00 -0.26 0.00 0.00 60.65 58.70 3ko3 s ILE 134 Cb -0.11 -2.58 0.00 0.00 1.25 0.00 0.00 42.46 41.01 3ko3 s ILE 134 CO 0.04 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.83 3ko3 n GLY 135 N -1.26 3.73 3.25 6.27 0.00 -1.25 -4.77 105.19 111.16 3ko3 n GLY 135 Ca -0.08 -1.90 -0.37 0.00 0.00 0.00 0.00 46.02 43.66 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 2.80 2.55 0.19 1.61 2.20 -1.26 -5.06 119.74 122.78 3ko3 s LYS 136 Ca 0.00 -1.25 -0.32 0.00 -0.36 0.00 0.00 55.97 54.04 3ko3 s LYS 136 Cb 0.00 -3.45 -0.11 0.00 -1.51 0.00 0.00 37.83 32.76 3ko3 s LYS 136 CO 0.00 -0.71 1.71 0.12 -0.36 0.00 0.00 175.35 176.12 3ko3 s PHE 137 N 1.36 2.84 0.00 4.03 5.36 -1.26 -2.21 117.98 128.10 3ko3 s PHE 137 Ca -0.01 0.34 0.00 0.00 -0.96 0.00 0.00 56.93 56.30 3ko3 s PHE 137 Cb -0.20 -4.11 0.00 0.00 -0.34 0.00 0.00 43.02 38.37 3ko3 s PHE 137 CO 0.02 -4.24 0.00 0.41 -1.46 0.00 0.00 175.22 169.94 3ko3 n GLY 138 N 3.98 0.25 3.95 13.12 0.00 -1.26 -4.99 105.19 120.24 3ko3 n GLY 138 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.21 6.23 0.29 1.61 0.01 -0.94 -5.08 114.94 114.87 3ko3 s ASN 139 Ca 0.00 0.38 -0.29 0.00 -0.71 0.00 0.00 52.86 52.24 3ko3 s ASN 139 Cb 0.00 -1.94 -0.10 0.00 0.41 0.00 0.00 41.25 39.62 3ko3 s ASN 139 CO 0.00 -0.33 1.26 -0.47 -1.51 0.00 0.00 177.10 176.05 3ko3 s TYR 140 N -2.32 3.21 0.07 2.20 5.04 -1.26 -4.88 117.35 119.41 3ko3 s TYR 140 Ca 0.41 1.44 0.02 0.00 -2.44 0.00 0.00 57.07 56.49 3ko3 s TYR 140 Cb -0.10 -3.57 -0.03 0.00 0.35 0.00 0.00 41.96 38.61 3ko3 s TYR 140 CO 0.36 -1.56 -0.06 -1.64 -1.34 0.00 0.00 175.55 171.30 3ko3 s MET 141 N -1.38 0.67 -0.18 4.97 -1.94 -1.26 -4.38 119.30 115.80 3ko3 s MET 141 Ca 0.49 -1.07 -0.01 0.00 -1.71 0.00 0.00 55.69 53.39 3ko3 s MET 141 Cb -0.37 -0.17 0.05 0.00 2.01 0.00 0.00 34.83 36.34 3ko3 s MET 141 CO 0.47 -0.00 -0.04 1.21 -0.01 0.00 0.00 175.02 176.65 3ko3 s ASN 142 N -2.41 2.93 -0.33 3.03 2.47 0.50 -4.96 114.94 116.16 3ko3 s ASN 142 Ca 0.02 -0.73 0.03 0.00 0.42 0.00 0.00 52.86 52.60 3ko3 s ASN 142 Cb -0.01 -0.88 0.10 0.00 -1.45 0.00 0.00 41.25 39.01 3ko3 s ASN 142 CO -0.03 -0.21 0.05 -0.63 -3.72 0.00 0.00 177.10 172.56 3ko3 s ILE 143 N 1.65 2.04 -0.16 -5.21 1.01 -1.26 -1.82 121.20 117.44 3ko3 s ILE 143 Ca -0.00 -2.15 -0.29 0.00 0.00 0.00 0.00 60.65 58.20 3ko3 s ILE 143 Cb -0.16 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 3ko3 s ILE 143 CO -0.07 -0.58 1.76 -1.81 0.00 0.00 0.00 174.94 174.24 3ko3 s ASP 144 N 1.03 6.29 -0.14 3.58 1.01 -0.83 -4.90 116.67 122.71 3ko3 s ASP 144 Ca 0.10 1.89 0.02 0.00 0.71 0.00 0.00 52.55 55.27 3ko3 s ASP 144 Cb -0.19 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.22 3ko3 s ASP 144 CO -0.11 -1.29 -0.19 -0.69 0.21 0.00 0.00 175.17 173.10 3ko3 s VAL 145 N 5.41 2.37 -0.89 -1.27 1.01 -1.26 -0.79 120.40 124.99 3ko3 s VAL 145 Ca 0.78 -0.88 -0.17 0.00 0.00 0.00 0.00 61.98 61.71 3ko3 s VAL 145 Cb -0.30 -1.97 0.16 0.00 0.00 0.00 0.00 36.38 34.27 3ko3 s VAL 145 CO 0.32 0.54 1.00 -0.89 0.00 0.00 0.00 175.10 176.06 3ko3 s THR 146 N 0.72 5.02 0.05 3.92 2.01 -0.17 -5.02 115.64 122.18 3ko3 s THR 146 Ca -0.08 -1.85 -0.31 0.00 0.31 0.00 0.00 61.69 59.76 3ko3 s THR 146 Cb -0.16 -4.67 -0.08 0.00 0.01 0.00 0.00 72.50 67.60 3ko3 s THR 146 CO 0.01 -1.34 1.66 0.20 -0.69 0.00 0.00 174.62 174.46 3ko3 s ASN 147 N 3.14 6.61 -0.68 3.53 0.01 -1.26 -1.33 114.94 124.95 3ko3 s ASN 147 Ca 0.27 2.46 -0.09 0.00 -0.71 0.00 0.00 52.86 54.79 3ko3 s ASN 147 Cb -0.07 -2.56 0.18 0.00 0.41 0.00 0.00 41.25 39.21 3ko3 s ASN 147 CO -0.09 -0.89 0.56 -0.62 -1.51 0.00 0.00 177.10 174.55 3ko3 s ASP 148 N 2.58 5.99 0.00 -1.22 2.15 -0.05 -4.62 116.67 121.50 3ko3 s ASP 148 Ca 0.74 -2.59 0.00 0.00 0.43 0.00 0.00 52.55 51.13 3ko3 s ASP 148 Cb -0.39 -2.04 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 3ko3 s ASP 148 CO 0.32 -0.53 0.00 0.61 -0.17 0.00 0.00 175.17 175.41 3ko3 n GLY 149 N 3.99 2.36 3.88 2.66 0.00 -1.26 -3.73 105.19 113.09 3ko3 n GLY 149 Ca 0.07 -0.43 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 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 3.17 -0.12 1.61 0.04 -1.26 -5.16 135.00 133.27 3ko3 s PRO 150 Ca 0.00 0.57 -0.01 0.00 0.04 0.00 0.00 61.00 61.60 3ko3 s PRO 150 Cb 0.00 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.52 3ko3 s PRO 150 CO 0.00 -0.83 -0.05 0.08 0.04 0.00 0.00 177.00 176.23 3ko3 s VAL 151 N -3.28 0.89 -0.14 -0.36 1.01 -1.24 -5.05 120.40 112.22 3ko3 s VAL 151 Ca 0.57 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.29 3ko3 s VAL 151 Cb -0.11 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.30 3ko3 s VAL 151 CO 0.53 0.28 -0.19 -0.89 0.00 0.00 0.00 175.10 174.83 3ko3 s THR 152 N 1.76 1.84 -0.07 3.92 2.01 -1.26 -2.24 115.64 121.60 3ko3 s THR 152 Ca 0.04 -0.83 -0.02 0.00 0.31 0.00 0.00 61.69 61.20 3ko3 s THR 152 Cb -0.13 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.69 3ko3 s THR 152 CO -0.08 0.51 0.01 -0.63 -0.69 0.00 0.00 174.62 173.74 3ko3 s ILE 153 N 1.07 4.38 -0.14 1.82 -1.09 0.43 -4.94 121.20 122.73 3ko3 s ILE 153 Ca -0.02 -0.28 0.02 0.00 -2.23 0.00 0.00 60.65 58.13 3ko3 s ILE 153 Cb -0.14 -2.87 0.02 0.00 -1.58 0.00 0.00 42.46 37.88 3ko3 s ILE 153 CO -0.06 0.56 -0.19 -0.47 -1.23 0.00 0.00 174.94 173.55 3ko3 s TYR 154 N -0.94 2.45 -0.09 3.97 5.04 -1.26 -1.28 117.35 125.25 3ko3 s TYR 154 Ca 0.15 -1.29 0.02 0.00 -2.44 0.00 0.00 57.07 53.50 3ko3 s TYR 154 Cb -0.11 -1.71 0.01 0.00 0.35 0.00 0.00 41.96 40.50 3ko3 s TYR 154 CO 0.04 -0.63 -0.13 0.42 -1.34 0.00 0.00 175.55 173.91 3ko3 s ILE 155 N 1.06 1.30 -0.31 3.14 1.01 -0.90 -5.02 121.20 121.48 3ko3 s ILE 155 Ca -0.03 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 60.11 3ko3 s ILE 155 Cb -0.14 -1.20 0.09 0.00 0.01 0.00 0.00 42.46 41.22 3ko3 s ILE 155 CO -0.06 0.40 0.00 -0.62 0.00 0.00 0.00 174.94 174.67 3ko3 s ASP 156 N 0.89 4.59 0.59 3.58 -1.08 -1.26 -0.96 116.67 123.01 3ko3 s ASP 156 Ca -0.10 -1.87 0.31 0.00 -0.52 0.00 0.00 52.55 50.37 3ko3 s ASP 156 Cb -0.15 -1.54 1.28 0.00 -1.46 0.00 0.00 42.92 41.05 3ko3 s ASP 156 CO 0.01 -0.32 1.62 0.71 0.52 0.00 0.00 175.17 177.70 3ko3 h THR 157 N 6.65 0.18 0.00 1.71 1.35 -1.80 0.23 112.91 121.24 3ko3 h THR 157 Ca -0.09 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.76 3ko3 h THR 157 Cb 1.03 0.29 -0.00 0.00 -1.73 0.00 0.00 68.15 67.74 3ko3 h THR 157 CO 0.50 0.00 -0.02 0.45 -0.25 0.00 0.00 175.52 176.19 3ko3 h HIS 158 N 0.00 0.00 -0.08 4.73 3.86 -1.95 -1.69 115.15 120.01 3ko3 h HIS 158 Ca 0.43 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.60 3ko3 h HIS 158 Cb 2.24 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 30.68 3ko3 h HIS 158 CO 0.00 0.02 0.05 -0.25 0.86 0.00 0.00 177.93 178.61 3ko3 n ASP 159 N -3.12 2.87 -0.60 2.45 8.00 0.82 -4.85 116.55 122.12 3ko3 n ASP 159 Ca 0.01 -2.13 0.00 0.00 0.71 0.00 0.00 54.79 53.38 3ko3 n ASP 159 Cb 0.33 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 3ko3 n ASP 159 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3ko3 n ILE 160 N 0.32 0.00 1.01 0.53 -0.00 -0.64 -5.04 119.36 115.55 3ko3 n ILE 160 Ca 0.05 0.00 0.12 0.00 -0.00 0.00 0.00 62.75 62.92 3ko3 n ILE 160 Cb 0.57 0.00 0.11 0.00 -0.00 0.00 0.00 39.64 40.32 3ko3 n ILE 160 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14