#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 2.76 -0.02 2.12 0.52 -0.62 -0.14 118.95 123.56 3ko3 s ARG 2 Ca 0.00 -0.78 0.04 0.00 -0.52 0.00 0.00 55.73 54.47 3ko3 s ARG 2 Cb 0.00 -2.36 -0.01 0.00 0.52 0.00 0.00 34.95 33.11 3ko3 s ARG 2 CO 0.00 0.42 -0.14 0.54 0.02 0.00 0.00 175.30 176.14 3ko3 s VAL 3 N -0.22 1.14 -0.24 3.52 0.11 0.11 0.00 120.40 124.82 3ko3 s VAL 3 Ca -0.00 -0.59 -0.04 0.00 -2.93 0.00 0.00 61.98 58.42 3ko3 s VAL 3 Cb -0.13 -0.97 0.00 0.00 -1.53 0.00 0.00 36.38 33.75 3ko3 s VAL 3 CO 0.03 0.33 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.42 3ko3 s VAL 4 N -0.12 3.38 -0.17 2.04 1.01 -0.54 -1.70 120.40 124.31 3ko3 s VAL 4 Ca 0.01 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 3ko3 s VAL 4 Cb -0.08 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 3ko3 s VAL 4 CO 0.00 0.30 -0.03 -0.63 0.00 0.00 0.00 175.10 174.75 3ko3 s ILE 5 N 1.45 3.87 0.01 2.22 1.01 0.25 -1.24 121.20 128.77 3ko3 s ILE 5 Ca 0.04 -0.36 0.08 0.00 0.00 0.00 0.00 60.65 60.41 3ko3 s ILE 5 Cb -0.15 -2.71 -0.02 0.00 0.01 0.00 0.00 42.46 39.58 3ko3 s ILE 5 CO -0.02 0.47 -0.23 -1.10 0.00 0.00 0.00 174.94 174.06 3ko3 s GLN 6 N 0.60 1.73 0.03 2.79 -0.21 -0.03 -0.13 119.66 124.44 3ko3 s GLN 6 Ca -0.02 -0.91 -0.22 0.00 0.02 0.00 0.00 55.36 54.23 3ko3 s GLN 6 Cb -0.14 -1.76 -0.06 0.00 1.00 0.00 0.00 33.01 32.05 3ko3 s GLN 6 CO 0.02 0.47 0.64 0.50 -2.12 0.00 0.00 175.29 174.81 3ko3 s ARG 7 N -0.84 4.36 0.07 2.91 3.52 -0.81 -1.06 118.95 127.11 3ko3 s ARG 7 Ca 0.09 0.84 0.03 0.00 -0.13 0.00 0.00 55.73 56.57 3ko3 s ARG 7 Cb -0.09 -3.33 -0.03 0.00 -1.56 0.00 0.00 34.95 29.94 3ko3 s ARG 7 CO 0.00 0.40 -0.10 0.14 -0.81 0.00 0.00 175.30 174.94 3ko3 s VAL 8 N -0.36 0.80 -2.69 7.11 -7.23 -0.36 -1.49 120.40 116.19 3ko3 s VAL 8 Ca 0.33 -1.37 0.26 0.00 -1.81 0.00 0.00 61.98 59.39 3ko3 s VAL 8 Cb -0.19 -1.03 0.40 0.00 0.56 0.00 0.00 36.38 36.12 3ko3 s VAL 8 CO 0.19 -0.45 1.55 0.29 -0.31 0.00 0.00 175.10 176.38 3ko3 n LYS 9 N 1.02 1.91 0.00 4.82 5.02 -0.84 -1.88 118.16 128.21 3ko3 n LYS 9 Ca -0.19 -1.34 0.00 0.00 -2.02 0.00 0.00 58.31 54.76 3ko3 n LYS 9 Cb 0.56 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.10 3ko3 n LYS 9 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ko3 n GLY 10 N 1.25 3.00 3.41 0.72 0.00 -0.89 -3.00 105.19 109.67 3ko3 n GLY 10 Ca 0.17 -0.81 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.34 -0.19 4.61 0.00 -0.70 -1.98 121.76 120.15 3ko3 s ALA 11 Ca 0.00 1.79 0.01 0.00 0.00 0.00 0.00 51.96 53.75 3ko3 s ALA 11 Cb 0.00 -1.06 0.02 0.00 0.00 0.00 0.00 23.12 22.08 3ko3 s ALA 11 CO 0.00 -0.30 -0.17 0.42 0.00 0.00 0.00 175.76 175.71 3ko3 s ILE 12 N 1.25 2.22 -0.23 0.00 1.01 0.14 -1.80 121.20 123.78 3ko3 s ILE 12 Ca -0.08 -0.95 -0.04 0.00 0.00 0.00 0.00 60.65 59.58 3ko3 s ILE 12 Cb -0.06 -1.97 -0.00 0.00 0.01 0.00 0.00 42.46 40.43 3ko3 s ILE 12 CO -0.12 0.48 -0.02 -0.22 0.00 0.00 0.00 174.94 175.05 3ko3 s LEU 13 N 1.30 3.05 0.15 2.97 0.20 -0.20 0.41 118.68 126.57 3ko3 s LEU 13 Ca 0.04 -0.46 0.10 0.00 0.69 0.00 0.00 54.13 54.50 3ko3 s LEU 13 Cb -0.14 -1.76 -0.04 0.00 -0.43 0.00 0.00 46.19 43.82 3ko3 s LEU 13 CO -0.11 -0.05 -0.21 -0.44 -0.29 0.00 0.00 176.35 175.25 3ko3 s SER 14 N 1.47 3.64 0.33 3.68 0.01 0.20 -0.62 113.70 122.41 3ko3 s SER 14 Ca 0.05 -0.71 0.03 0.00 1.31 0.00 0.00 55.95 56.63 3ko3 s SER 14 Cb -0.15 -0.39 -0.05 0.00 0.21 0.00 0.00 66.02 65.64 3ko3 s SER 14 CO -0.02 0.15 0.09 0.68 0.41 0.00 0.00 173.24 174.55 3ko3 s VAL 15 N -1.38 0.82 0.61 3.43 -7.23 0.32 -0.67 120.40 116.31 3ko3 s VAL 15 Ca 0.19 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.23 3ko3 s VAL 15 Cb -0.09 -2.63 -0.03 0.00 0.56 0.00 0.00 36.38 34.19 3ko3 s VAL 15 CO 0.10 0.00 1.03 -0.13 -0.31 0.00 0.00 175.10 175.79 3ko3 s ARG 16 N -3.88 3.43 -0.19 4.82 0.52 -1.26 0.17 118.95 122.56 3ko3 s ARG 16 Ca 0.34 0.95 -0.00 0.00 -0.52 0.00 0.00 55.73 56.50 3ko3 s ARG 16 Cb 0.07 -2.06 -0.00 0.00 0.52 0.00 0.00 34.95 33.48 3ko3 s ARG 16 CO 0.15 -0.71 0.17 1.17 0.02 0.00 0.00 175.30 176.11 3ko3 n LYS 17 N -2.44 -0.36 -0.31 3.54 4.81 -1.26 -4.69 118.16 117.45 3ko3 n LYS 17 Ca 0.07 0.58 0.28 0.00 -0.87 0.00 0.00 58.31 58.36 3ko3 n LYS 17 Cb 0.54 -2.47 0.48 0.00 0.02 0.00 0.00 35.03 33.59 3ko3 n LYS 17 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 3ko3 n LYS 25 N -1.38 -0.03 -0.16 1.64 0.00 -1.26 -4.44 118.16 112.52 3ko3 n LYS 25 Ca -0.00 0.98 -0.09 0.00 0.00 0.00 0.00 58.31 59.19 3ko3 n LYS 25 Cb 0.51 -1.85 0.00 0.00 0.00 0.00 0.00 35.03 33.69 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 0.76 -5.92 1.64 4.81 -2.01 -3.43 114.58 110.43 3ko3 h GLU 26 Ca 0.65 -0.19 -0.62 0.00 -0.13 0.00 0.00 59.36 59.07 3ko3 h GLU 26 Cb 1.94 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 31.17 3ko3 h GLU 26 CO -0.44 0.75 -0.32 -0.51 -0.73 0.00 0.00 179.01 177.75 3ko3 s LEU 27 N -9.60 4.40 -0.11 1.64 1.43 -1.26 -4.41 118.68 110.77 3ko3 s LEU 27 Ca -0.13 0.71 0.03 0.00 -1.03 0.00 0.00 54.13 53.71 3ko3 s LEU 27 Cb 0.11 -2.59 0.01 0.00 0.03 0.00 0.00 46.19 43.74 3ko3 s LEU 27 CO 0.79 0.29 -0.22 -0.70 0.23 0.00 0.00 176.35 176.74 3ko3 s GLU 28 N -1.45 2.89 0.09 1.70 2.12 0.45 -4.88 118.70 119.63 3ko3 s GLU 28 Ca 0.25 -0.82 -0.30 0.00 0.36 0.00 0.00 54.97 54.46 3ko3 s GLU 28 Cb -0.14 -2.26 -0.06 0.00 0.26 0.00 0.00 34.13 31.94 3ko3 s GLU 28 CO 0.13 0.09 1.05 0.42 -0.54 0.00 0.00 175.26 176.41 3ko3 s ILE 29 N 0.56 4.33 0.00 -3.70 1.01 -1.26 -0.52 121.20 121.62 3ko3 s ILE 29 Ca -0.14 1.82 0.00 0.00 0.00 0.00 0.00 60.65 62.33 3ko3 s ILE 29 Cb -0.17 -4.16 0.00 0.00 0.01 0.00 0.00 42.46 38.14 3ko3 s ILE 29 CO 0.04 0.22 0.19 2.30 0.00 0.00 0.00 174.94 177.70 3ko3 n ILE 30 N 3.20 0.00 -3.66 2.92 -5.35 0.21 -4.96 119.36 111.72 3ko3 n ILE 30 Ca 0.05 -0.27 -0.09 0.00 -0.27 0.00 0.00 62.75 62.16 3ko3 n ILE 30 Cb 0.48 1.32 -0.08 0.00 -1.74 0.00 0.00 39.64 39.62 3ko3 n ILE 30 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3ko3 s SER 31 N -0.16 -0.78 -0.07 7.28 0.01 -1.18 -5.03 113.70 113.76 3ko3 s SER 31 Ca 0.00 1.30 -0.03 0.00 1.31 0.00 0.00 55.95 58.53 3ko3 s SER 31 Cb 0.00 1.20 0.04 0.00 0.21 0.00 0.00 66.02 67.47 3ko3 s SER 31 CO 0.00 -0.22 0.12 -1.61 0.41 0.00 0.00 173.24 171.94 3ko3 s GLU 32 N 1.38 -0.00 0.27 12.44 2.02 -1.26 -1.03 118.70 132.51 3ko3 s GLU 32 Ca -0.08 0.48 0.07 0.00 0.02 0.00 0.00 54.97 55.45 3ko3 s GLU 32 Cb -0.06 -0.41 -0.03 0.00 0.10 0.00 0.00 34.13 33.73 3ko3 s GLU 32 CO -0.15 -0.33 0.29 0.96 0.02 0.00 0.00 175.26 176.05 3ko3 s ILE 33 N 2.25 4.46 0.00 -1.63 -4.36 -0.74 -4.97 121.20 116.20 3ko3 s ILE 33 Ca 0.04 -1.24 0.00 0.00 -0.26 0.00 0.00 60.65 59.19 3ko3 s ILE 33 Cb -0.12 -3.49 0.00 0.00 1.25 0.00 0.00 42.46 40.10 3ko3 s ILE 33 CO -0.05 -0.29 0.00 0.29 0.24 0.00 0.00 174.94 175.13 3ko3 n LYS 34 N -1.33 0.41 -1.75 0.37 4.76 -1.26 -1.72 118.16 117.63 3ko3 n LYS 34 Ca -0.06 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 54.99 3ko3 n LYS 34 Cb 0.58 0.00 0.04 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 2.93 0.00 4.39 3.02 -1.16 -2.10 115.26 122.33 3ko3 n ASN 35 Ca 0.00 1.03 0.00 0.00 -0.03 0.00 0.00 54.58 55.58 3ko3 n ASN 35 Cb 0.00 -1.59 0.00 0.00 -0.61 0.00 0.00 39.78 37.58 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 0.69 -0.07 3.39 7.41 0.00 -0.79 -2.21 105.19 113.62 3ko3 n GLY 36 Ca 0.09 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 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 2.33 -0.16 0.99 1.43 -0.88 -1.23 118.68 121.16 3ko3 s LEU 37 Ca 0.00 -0.75 -0.02 0.00 -1.03 0.00 0.00 54.13 52.33 3ko3 s LEU 37 Cb 0.00 -1.23 -0.02 0.00 0.03 0.00 0.00 46.19 44.98 3ko3 s LEU 37 CO 0.00 0.18 -0.07 -0.51 0.23 0.00 0.00 176.35 176.18 3ko3 s ILE 38 N -1.07 3.48 -0.25 -0.59 2.07 -0.22 -1.77 121.20 122.84 3ko3 s ILE 38 Ca 0.14 -0.50 -0.00 0.00 -1.41 0.00 0.00 60.65 58.88 3ko3 s ILE 38 Cb -0.10 -2.51 0.04 0.00 0.13 0.00 0.00 42.46 40.02 3ko3 s ILE 38 CO 0.06 0.49 -0.08 0.00 -1.91 0.00 0.00 174.94 173.51 3ko3 s PHE 40 N 1.25 3.10 -0.23 0.00 0.08 -0.37 -1.06 117.98 120.74 3ko3 s PHE 40 Ca -0.03 0.32 -0.05 0.00 0.12 0.00 0.00 56.93 57.29 3ko3 s PHE 40 Cb -0.18 -3.34 -0.02 0.00 -0.57 0.00 0.00 43.02 38.91 3ko3 s PHE 40 CO -0.05 -0.76 0.01 -1.17 -0.10 0.00 0.00 175.22 173.15 3ko3 s LEU 41 N 2.95 3.18 -0.24 -0.37 2.96 0.93 -1.46 118.68 126.62 3ko3 s LEU 41 Ca 0.27 -0.28 -0.09 0.00 -0.22 0.00 0.00 54.13 53.81 3ko3 s LEU 41 Cb -0.14 -1.83 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 3ko3 s LEU 41 CO 0.17 -0.01 0.12 -0.83 -1.32 0.00 0.00 176.35 174.49 3ko3 s GLY 42 N 1.43 1.89 -0.23 7.98 0.00 0.10 0.12 107.32 118.61 3ko3 s GLY 42 Ca 0.05 -0.98 -0.14 0.00 0.00 0.00 0.00 44.72 43.65 3ko3 s GLY 42 CO 0.00 0.43 0.33 -0.42 0.00 0.00 0.00 173.10 173.45 3ko3 s ILE 43 N 1.26 5.23 0.52 0.90 1.01 -1.26 -1.59 121.20 127.26 3ko3 s ILE 43 Ca 0.06 0.54 -0.06 0.00 0.00 0.00 0.00 60.65 61.19 3ko3 s ILE 43 Cb -0.14 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 3ko3 s ILE 43 CO 0.05 0.25 0.84 -2.28 0.00 0.00 0.00 174.94 173.81 3ko3 s HIS 44 N 1.44 3.54 0.27 3.97 5.65 -1.26 -1.68 115.29 127.22 3ko3 s HIS 44 Ca 0.15 0.88 -0.02 0.00 0.25 0.00 0.00 55.06 56.33 3ko3 s HIS 44 Cb -0.15 -2.43 0.37 0.00 -1.18 0.00 0.00 32.58 29.20 3ko3 s HIS 44 CO 0.08 -0.41 1.80 -0.22 -0.65 0.00 0.00 174.74 175.33 3ko3 h LYS 45 N 0.08 0.82 -0.52 2.88 3.64 -1.50 -3.07 116.57 118.90 3ko3 h LYS 45 Ca -0.46 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 58.73 3ko3 h LYS 45 Cb 1.21 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 3ko3 h LYS 45 CO 0.62 0.77 0.00 0.09 -2.27 0.00 0.00 179.45 178.65 3ko3 n ASN 46 N -4.25 4.76 -4.73 4.20 3.02 -1.26 -4.86 115.26 112.14 3ko3 n ASN 46 Ca 0.03 -2.69 -0.42 0.00 -0.03 0.00 0.00 54.58 51.48 3ko3 n ASN 46 Cb 0.25 -0.58 -0.03 0.00 -0.61 0.00 0.00 39.78 38.81 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 -1.10 6.75 0.32 6.41 1.01 -1.16 -5.01 116.67 123.90 3ko3 s ASP 47 Ca 0.48 2.49 0.08 0.00 0.71 0.00 0.00 52.55 56.31 3ko3 s ASP 47 Cb 0.34 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.64 3ko3 s ASP 47 CO 0.18 -0.67 0.25 0.42 0.21 0.00 0.00 175.17 175.56 3ko3 s THR 48 N 0.61 3.55 0.58 -1.27 -4.23 -1.26 -5.01 115.64 108.61 3ko3 s THR 48 Ca 0.63 -1.44 0.28 0.00 -1.18 0.00 0.00 61.69 59.97 3ko3 s THR 48 Cb -0.39 -3.17 0.35 0.00 1.34 0.00 0.00 72.50 70.62 3ko3 s THR 48 CO 0.35 -0.20 2.20 -0.25 -0.54 0.00 0.00 174.62 176.19 3ko3 h TRP 49 N 1.34 0.00 0.00 3.99 2.91 -2.00 -1.00 115.95 121.19 3ko3 h TRP 49 Ca -0.45 0.00 -0.07 0.00 1.13 0.00 0.00 58.89 59.50 3ko3 h TRP 49 Cb 1.25 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.89 3ko3 h TRP 49 CO 0.55 0.00 -0.36 0.93 -1.03 0.00 0.00 178.44 178.54 3ko3 h GLU 50 N 0.00 0.00 -0.15 2.65 4.39 -1.99 -1.48 114.58 118.00 3ko3 h GLU 50 Ca 0.02 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 3ko3 h GLU 50 Cb 0.13 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 3ko3 h GLU 50 CO -0.00 0.36 -0.08 -0.44 -1.16 0.00 0.00 179.01 177.69 3ko3 h ASP 51 N 0.00 0.32 -0.03 1.42 3.32 -1.58 -2.86 116.42 117.01 3ko3 h ASP 51 Ca -0.00 -0.42 -0.00 0.00 0.02 0.00 0.00 57.03 56.63 3ko3 h ASP 51 Cb 0.71 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.17 3ko3 h ASP 51 CO 0.05 0.67 0.01 0.00 -1.72 0.00 0.00 179.24 178.25 3ko3 h ALA 52 N 0.66 0.04 -0.72 3.45 0.00 -1.28 -2.00 119.26 119.41 3ko3 h ALA 52 Ca 0.03 -0.05 0.20 0.00 0.00 0.00 0.00 54.91 55.09 3ko3 h ALA 52 Cb 0.55 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3ko3 h ALA 52 CO 0.02 -0.42 0.51 -0.07 0.00 0.00 0.00 179.25 179.29 3ko3 h LEU 53 N -0.05 0.06 -0.20 0.00 3.38 -1.34 -1.34 115.31 115.83 3ko3 h LEU 53 Ca 0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 3ko3 h LEU 53 Cb 0.09 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3ko3 h LEU 53 CO -0.00 0.03 -0.17 0.22 0.09 0.00 0.00 178.44 178.60 3ko3 h TYR 54 N 0.06 0.55 0.06 1.13 3.20 -1.12 -0.82 116.97 120.03 3ko3 h TYR 54 Ca 0.34 -0.16 0.01 0.00 3.14 0.00 0.00 58.73 62.06 3ko3 h TYR 54 Cb 1.28 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 39.41 3ko3 h TYR 54 CO -0.00 0.81 -0.28 0.82 -1.64 0.00 0.00 178.16 177.87 3ko3 h ILE 55 N 0.13 0.00 -0.69 1.81 1.08 -1.09 -1.88 117.51 116.88 3ko3 h ILE 55 Ca 0.03 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.63 3ko3 h ILE 55 Cb 0.71 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 34.33 3ko3 h ILE 55 CO 0.04 0.00 -0.26 0.40 -0.69 0.00 0.00 178.15 177.64 3ko3 h ILE 56 N -0.39 0.20 -0.26 -0.67 2.04 -1.47 0.17 117.51 117.14 3ko3 h ILE 56 Ca -0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 3ko3 h ILE 56 Cb 0.40 0.20 -0.08 0.00 -0.74 0.00 0.00 36.82 36.60 3ko3 h ILE 56 CO -0.16 0.00 -0.45 -0.09 0.00 0.00 0.00 178.15 177.45 3ko3 h ARG 57 N -0.07 -0.42 -0.24 2.37 2.43 -0.99 -1.38 114.38 116.08 3ko3 h ARG 57 Ca 0.30 0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.42 3ko3 h ARG 57 Cb 0.55 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 3ko3 h ARG 57 CO -0.74 -0.28 -0.15 0.87 -1.51 0.00 0.00 179.97 178.16 3ko3 h LYS 58 N -0.43 0.52 -0.51 0.20 1.79 -0.40 0.42 116.57 118.16 3ko3 h LYS 58 Ca 0.09 -0.24 0.08 0.00 -2.18 0.00 0.00 60.65 58.40 3ko3 h LYS 58 Cb 0.62 -0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 31.19 3ko3 h LYS 58 CO -0.49 0.81 0.14 0.00 -1.08 0.00 0.00 179.45 178.82 3ko3 h LEU 60 N 0.29 0.00 -0.57 0.00 3.38 -1.03 -3.35 115.31 114.02 3ko3 h LEU 60 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3ko3 h LEU 60 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3ko3 h LEU 60 CO -0.30 0.21 -0.05 0.59 0.09 0.00 0.00 178.44 178.98 3ko3 n ASN 61 N -3.24 0.67 -4.70 -0.43 3.02 0.14 -4.15 115.26 106.57 3ko3 n ASN 61 Ca 0.02 -0.84 -0.42 0.00 -0.03 0.00 0.00 54.58 53.31 3ko3 n ASN 61 Cb 0.51 0.48 -0.03 0.00 -0.61 0.00 0.00 39.78 40.12 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 -1.10 4.33 -0.79 3.41 1.43 0.14 -4.70 118.68 121.41 3ko3 s LEU 62 Ca 0.02 2.01 -0.21 0.00 -1.03 0.00 0.00 54.13 54.92 3ko3 s LEU 62 Cb 0.02 -3.57 0.10 0.00 0.03 0.00 0.00 46.19 42.76 3ko3 s LEU 62 CO 0.05 -0.57 1.04 -0.13 0.23 0.00 0.00 176.35 176.97 3ko3 s ARG 63 N 1.69 3.34 0.00 1.70 0.52 -1.26 -4.05 118.95 120.88 3ko3 s ARG 63 Ca 0.60 -1.27 0.08 0.00 -0.52 0.00 0.00 55.73 54.62 3ko3 s ARG 63 Cb -0.29 -4.58 0.04 0.00 0.52 0.00 0.00 34.95 30.65 3ko3 s ARG 63 CO 0.27 -1.80 0.69 1.28 0.02 0.00 0.00 175.30 175.75 3ko3 n LEU 64 N 7.20 1.49 -4.56 2.53 4.77 -0.81 -3.97 117.00 123.65 3ko3 n LEU 64 Ca 0.09 -0.93 -0.33 0.00 -0.03 0.00 0.00 56.01 54.81 3ko3 n LEU 64 Cb 0.47 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.45 3ko3 n LEU 64 CO 0.58 0.30 -0.40 0.26 -1.33 0.00 0.00 177.39 176.80 3ko3 s TRP 65 N -0.79 2.86 0.69 -1.77 0.51 -0.91 -4.77 118.94 114.76 3ko3 s TRP 65 Ca 0.08 -0.04 -0.14 0.00 -2.12 0.00 0.00 56.10 53.88 3ko3 s TRP 65 Cb 0.06 -1.66 0.02 0.00 -0.81 0.00 0.00 33.47 31.08 3ko3 s TRP 65 CO 0.12 0.30 1.12 -0.80 -0.51 0.00 0.00 176.95 177.19 3ko3 s ASN 66 N -0.94 4.84 -0.23 2.95 0.01 -1.26 -0.58 114.94 119.73 3ko3 s ASN 66 Ca 0.13 2.02 -0.06 0.00 -0.71 0.00 0.00 52.86 54.25 3ko3 s ASN 66 Cb -0.11 -2.55 0.11 0.00 0.41 0.00 0.00 41.25 39.11 3ko3 s ASN 66 CO 0.03 -1.81 0.44 0.21 -1.51 0.00 0.00 177.10 174.45 3ko3 s ASN 67 N -2.64 -0.28 1.79 -1.22 3.84 -1.09 -4.80 114.94 110.54 3ko3 s ASN 67 Ca 0.67 0.83 0.00 0.00 0.21 0.00 0.00 52.86 54.57 3ko3 s ASN 67 Cb -0.21 1.43 0.00 0.00 -0.55 0.00 0.00 41.25 41.92 3ko3 s ASN 67 CO 0.45 -0.25 0.00 0.47 -2.79 0.00 0.00 177.10 174.97 3ko3 n ASP 68 N 5.39 0.00 -0.14 -4.21 10.43 -1.26 -2.71 116.55 124.05 3ko3 n ASP 68 Ca -0.07 0.00 -0.08 0.00 2.57 0.00 0.00 54.79 57.21 3ko3 n ASP 68 Cb 0.50 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.46 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 0.53 -4.30 -2.24 2.35 -2.05 -3.46 115.58 106.42 3ko3 h ASN 69 Ca 0.00 -0.10 -0.51 0.00 -0.55 0.00 0.00 56.30 55.14 3ko3 h ASN 69 Cb 0.00 -0.14 0.11 0.00 0.05 0.00 0.00 38.32 38.34 3ko3 h ASN 69 CO 0.00 0.48 0.35 -0.54 -1.65 0.00 0.00 177.43 176.07 3ko3 s LYS 70 N -5.83 2.69 0.33 0.81 1.02 -1.10 -5.10 119.74 112.56 3ko3 s LYS 70 Ca -0.13 1.11 0.07 0.00 0.02 0.00 0.00 55.97 57.04 3ko3 s LYS 70 Cb 0.11 -1.95 -0.06 0.00 -0.52 0.00 0.00 37.83 35.40 3ko3 s LYS 70 CO 0.74 -1.31 -0.04 0.95 -0.92 0.00 0.00 175.35 174.77 3ko3 s THR 71 N -2.86 1.85 -1.73 2.17 -4.23 -1.26 -2.68 115.64 106.89 3ko3 s THR 71 Ca 0.61 -2.11 -0.14 0.00 -1.18 0.00 0.00 61.69 58.86 3ko3 s THR 71 Cb -0.16 -2.65 0.14 0.00 1.34 0.00 0.00 72.50 71.17 3ko3 s THR 71 CO 0.52 -0.18 0.41 0.79 -0.54 0.00 0.00 174.62 175.63 3ko3 n TRP 72 N -0.73 -1.28 -0.07 3.99 7.02 -1.22 -4.82 117.44 120.32 3ko3 n TRP 72 Ca -0.05 0.68 -0.05 0.00 -1.02 0.00 0.00 57.50 57.06 3ko3 n TRP 72 Cb 0.64 -2.38 -0.16 0.00 -2.42 0.00 0.00 31.31 26.99 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 -2.65 0.04 -3.99 -0.99 2.03 0.26 -4.57 116.55 106.68 3ko3 n ASP 73 Ca -0.05 0.02 -0.23 0.00 0.52 0.00 0.00 54.79 55.05 3ko3 n ASP 73 Cb 0.55 1.17 -0.16 0.00 -0.72 0.00 0.00 41.12 41.95 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 -2.73 1.38 0.70 -0.67 -0.14 -0.86 -4.92 119.74 112.50 3ko3 s LYS 74 Ca -0.09 -0.32 -0.05 0.00 -1.36 0.00 0.00 55.97 54.15 3ko3 s LYS 74 Cb 0.08 -1.19 0.08 0.00 -1.68 0.00 0.00 37.83 35.12 3ko3 s LYS 74 CO 0.85 0.01 0.99 0.54 -0.76 0.00 0.00 175.35 176.98 3ko3 s ASN 75 N 0.67 4.64 0.26 2.83 2.20 -1.26 -1.93 114.94 122.36 3ko3 s ASN 75 Ca -0.13 0.17 -0.02 0.00 -0.94 0.00 0.00 52.86 51.95 3ko3 s ASN 75 Cb -0.15 -0.75 0.51 0.00 -2.00 0.00 0.00 41.25 38.86 3ko3 s ASN 75 CO 0.02 -1.67 1.76 1.62 -2.94 0.00 0.00 177.10 175.89 3ko3 h VAL 76 N -0.55 0.74 -0.03 3.54 3.04 -1.74 -2.67 116.25 118.58 3ko3 h VAL 76 Ca -0.42 -0.21 -0.00 0.00 -1.01 0.00 0.00 66.70 65.05 3ko3 h VAL 76 Cb 1.29 0.07 -0.00 0.00 -2.01 0.00 0.00 31.29 30.64 3ko3 h VAL 76 CO 0.52 0.11 0.01 0.11 -1.01 0.00 0.00 177.57 177.31 3ko3 h LYS 77 N 0.62 0.05 -1.09 4.17 1.57 -1.87 -1.25 116.57 118.77 3ko3 h LYS 77 Ca 0.45 -0.01 0.34 0.00 -1.87 0.00 0.00 60.65 59.56 3ko3 h LYS 77 Cb 0.63 -0.01 -0.13 0.00 0.08 0.00 0.00 32.23 32.80 3ko3 h LYS 77 CO -0.36 0.27 0.67 -0.44 -0.57 0.00 0.00 179.45 179.02 3ko3 h ASP 78 N -0.18 0.43 -0.62 0.86 3.32 -1.82 0.17 116.42 118.59 3ko3 h ASP 78 Ca 0.01 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3ko3 h ASP 78 Cb 0.24 0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3ko3 h ASP 78 CO 0.00 -0.09 0.00 0.18 -1.72 0.00 0.00 179.24 177.61 3ko3 n LEU 79 N -4.86 4.00 -1.68 1.55 4.77 -1.08 -4.93 117.00 114.78 3ko3 n LEU 79 Ca 0.32 -2.16 -0.17 0.00 -0.03 0.00 0.00 56.01 53.97 3ko3 n LEU 79 Cb 1.07 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 41.66 3ko3 n LEU 79 CO 0.16 0.88 -0.19 0.59 -1.33 0.00 0.00 177.39 177.50 3ko3 n ASN 80 N 1.21 -4.97 -4.38 -1.43 3.02 0.61 -4.98 115.26 104.34 3ko3 n ASN 80 Ca 0.22 0.14 -0.29 0.00 -0.03 0.00 0.00 54.58 54.62 3ko3 n ASN 80 Cb 0.67 -4.02 0.15 0.00 -0.61 0.00 0.00 39.78 35.98 3ko3 n ASN 80 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3ko3 s TYR 81 N -2.76 2.03 0.41 3.10 2.02 -0.49 -5.03 117.35 116.63 3ko3 s TYR 81 Ca 0.00 0.44 0.07 0.00 -0.37 0.00 0.00 57.07 57.22 3ko3 s TYR 81 Cb 0.00 -3.91 -0.04 0.00 -0.40 0.00 0.00 41.96 37.61 3ko3 s TYR 81 CO 0.00 -2.36 0.26 -1.21 -1.57 0.00 0.00 175.55 170.67 3ko3 s GLU 82 N -5.78 2.36 -0.05 -0.62 2.02 -0.94 -4.78 118.70 110.91 3ko3 s GLU 82 Ca 0.70 -1.71 -0.02 0.00 0.02 0.00 0.00 54.97 53.96 3ko3 s GLU 82 Cb -0.06 -2.15 0.03 0.00 0.10 0.00 0.00 34.13 32.05 3ko3 s GLU 82 CO 0.52 -0.14 0.10 -0.51 0.02 0.00 0.00 175.26 175.25 3ko3 s LEU 83 N -3.99 1.04 -0.26 1.80 1.02 0.12 -2.08 118.68 116.34 3ko3 s LEU 83 Ca 0.44 0.20 0.02 0.00 0.02 0.00 0.00 54.13 54.80 3ko3 s LEU 83 Cb 0.01 0.23 0.05 0.00 0.02 0.00 0.00 46.19 46.49 3ko3 s LEU 83 CO 0.25 -0.12 -0.10 -0.22 0.02 0.00 0.00 176.35 176.18 3ko3 s LEU 84 N 0.89 3.34 -0.28 1.79 2.96 -0.73 0.26 118.68 126.91 3ko3 s LEU 84 Ca -0.07 -1.24 -0.07 0.00 -0.22 0.00 0.00 54.13 52.53 3ko3 s LEU 84 Cb -0.09 -1.58 -0.00 0.00 0.50 0.00 0.00 46.19 45.01 3ko3 s LEU 84 CO -0.04 -0.17 0.08 -0.63 -1.32 0.00 0.00 176.35 174.27 3ko3 s ILE 85 N 1.17 4.10 -0.05 6.68 -1.09 0.98 -1.03 121.20 131.96 3ko3 s ILE 85 Ca -0.06 -0.51 0.05 0.00 -2.23 0.00 0.00 60.65 57.90 3ko3 s ILE 85 Cb -0.19 -3.04 -0.02 0.00 -1.58 0.00 0.00 42.46 37.63 3ko3 s ILE 85 CO -0.05 0.17 -0.19 -0.69 -1.23 0.00 0.00 174.94 172.95 3ko3 s VAL 86 N 1.54 2.66 0.19 2.92 1.01 -0.23 -3.65 120.40 124.85 3ko3 s VAL 86 Ca 0.04 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 60.85 3ko3 s VAL 86 Cb -0.16 -2.01 -0.08 0.00 0.00 0.00 0.00 36.38 34.13 3ko3 s VAL 86 CO 0.03 0.58 1.02 -0.55 0.00 0.00 0.00 175.10 176.18 3ko3 s SER 87 N -0.57 7.42 -0.43 3.32 0.15 -1.26 -0.05 113.70 122.29 3ko3 s SER 87 Ca 0.08 2.01 0.04 0.00 0.70 0.00 0.00 55.95 58.78 3ko3 s SER 87 Cb -0.11 -2.61 0.17 0.00 -1.71 0.00 0.00 66.02 61.77 3ko3 s SER 87 CO 0.01 -0.07 0.41 -1.58 1.20 0.00 0.00 173.24 173.20 3ko3 s GLN 88 N -0.65 0.92 0.59 5.44 2.00 0.33 -4.75 119.66 123.54 3ko3 s GLN 88 Ca 0.46 -1.89 0.32 0.00 -2.00 0.00 0.00 55.36 52.25 3ko3 s GLN 88 Cb -0.27 -1.15 1.84 0.00 0.80 0.00 0.00 33.01 34.22 3ko3 s GLN 88 CO 0.34 -1.37 2.24 0.27 -0.50 0.00 0.00 175.29 176.26 3ko3 h PHE 89 N 5.56 0.00 0.00 1.67 -5.15 -1.94 -2.52 116.94 114.56 3ko3 h PHE 89 Ca 0.22 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.99 3ko3 h PHE 89 Cb 0.95 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.12 3ko3 h PHE 89 CO 0.24 0.02 0.00 0.25 -2.00 0.00 0.00 178.31 176.82 3ko3 n THR 90 N -3.69 0.99 0.35 0.88 -2.24 -1.26 -1.00 114.28 108.31 3ko3 n THR 90 Ca -0.03 0.61 0.09 0.00 -2.27 0.00 0.00 64.05 62.45 3ko3 n THR 90 Cb 0.11 -1.59 0.40 0.00 -2.10 0.00 0.00 70.33 67.15 3ko3 n THR 90 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3ko3 n LEU 91 N -2.25 0.38 -1.40 3.22 4.77 -0.95 -0.90 117.00 119.87 3ko3 n LEU 91 Ca -0.01 0.61 0.02 0.00 -0.03 0.00 0.00 56.01 56.61 3ko3 n LEU 91 Cb 0.08 -0.59 0.29 0.00 -2.33 0.00 0.00 43.42 40.88 3ko3 n LEU 91 CO 0.12 -0.52 0.83 0.49 -1.33 0.00 0.00 177.39 176.98 3ko3 n PHE 92 N -1.94 1.57 -2.04 -1.77 3.72 -0.17 -4.92 117.46 111.91 3ko3 n PHE 92 Ca 0.02 -1.06 -0.41 0.00 -0.05 0.00 0.00 57.45 55.95 3ko3 n PHE 92 Cb 0.16 -0.48 -0.03 0.00 -0.94 0.00 0.00 39.48 38.19 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 -1.60 0.53 -0.03 1.37 0.00 -0.08 -4.39 107.32 103.12 3ko3 s GLY 93 Ca 0.48 -0.18 -0.30 0.00 0.00 0.00 0.00 44.72 44.72 3ko3 s GLY 93 CO 0.10 3.31 1.31 0.21 0.00 0.00 0.00 173.10 178.03 3ko3 s ASN 94 N 6.94 6.94 0.00 1.64 3.84 0.26 -4.75 114.94 129.81 3ko3 s ASN 94 Ca 0.73 1.96 0.00 0.00 0.21 0.00 0.00 52.86 55.76 3ko3 s ASN 94 Cb -0.17 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 37.97 3ko3 s ASN 94 CO 0.28 -0.66 0.55 0.35 -2.79 0.00 0.00 177.10 174.83 3ko3 n THR 95 N 4.67 0.22 -0.21 -5.21 -2.24 -1.26 -0.22 114.28 110.03 3ko3 n THR 95 Ca 0.12 -0.53 -0.02 0.00 -2.27 0.00 0.00 64.05 61.35 3ko3 n THR 95 Cb 0.45 1.01 0.09 0.00 -2.10 0.00 0.00 70.33 69.78 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 0.58 -3.91 -0.78 1.57 -1.97 -3.39 116.57 108.67 3ko3 h LYS 96 Ca 0.00 -0.04 -0.75 0.00 -1.87 0.00 0.00 60.65 57.99 3ko3 h LYS 96 Cb 0.21 -0.13 -0.29 0.00 0.08 0.00 0.00 32.23 32.10 3ko3 h LYS 96 CO 0.00 0.39 -0.16 0.21 -0.57 0.00 0.00 179.45 179.32 3ko3 s LYS 97 N -6.10 3.04 0.73 3.15 2.47 -1.26 -5.01 119.74 116.76 3ko3 s LYS 97 Ca -0.13 -2.22 0.00 0.00 -1.56 0.00 0.00 55.97 52.06 3ko3 s LYS 97 Cb 0.16 -4.15 0.00 0.00 -1.46 0.00 0.00 37.83 32.38 3ko3 s LYS 97 CO 0.75 -1.25 0.00 0.41 0.16 0.00 0.00 175.35 175.42 3ko3 n GLY 98 N 4.24 -1.82 0.16 5.54 0.00 -1.26 -4.66 105.19 107.38 3ko3 n GLY 98 Ca 0.04 -1.27 0.11 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.20 1.27 -4.58 1.61 5.03 -1.26 -4.79 115.26 110.35 3ko3 n ASN 99 Ca 0.00 -1.10 -0.42 0.00 0.87 0.00 0.00 54.58 53.93 3ko3 n ASN 99 Cb 0.23 0.77 -0.06 0.00 -1.02 0.00 0.00 39.78 39.70 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 -2.83 3.73 0.55 3.52 2.20 -1.26 -5.02 119.74 120.63 3ko3 s LYS 100 Ca 0.12 0.22 -0.18 0.00 -0.36 0.00 0.00 55.97 55.77 3ko3 s LYS 100 Cb 0.17 -3.81 -0.05 0.00 -1.51 0.00 0.00 37.83 32.63 3ko3 s LYS 100 CO 0.76 -0.80 1.07 -2.14 -0.36 0.00 0.00 175.35 173.88 3ko3 s PRO 101 N 2.94 3.43 -0.12 4.03 0.02 -1.26 -4.91 135.00 139.12 3ko3 s PRO 101 Ca 0.29 1.37 0.03 0.00 0.02 0.00 0.00 61.00 62.71 3ko3 s PRO 101 Cb -0.14 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.35 3ko3 s PRO 101 CO 0.16 -0.75 -0.21 0.34 -0.33 0.00 0.00 177.00 176.21 3ko3 s ASP 102 N -2.26 3.28 0.00 2.53 2.15 0.69 -4.86 116.67 118.20 3ko3 s ASP 102 Ca 0.67 -0.54 0.11 0.00 0.43 0.00 0.00 52.55 53.23 3ko3 s ASP 102 Cb -0.18 -1.47 0.17 0.00 -0.30 0.00 0.00 42.92 41.14 3ko3 s ASP 102 CO 0.29 0.12 1.00 0.49 -0.17 0.00 0.00 175.17 176.91 3ko3 n PHE 103 N 3.78 0.17 -0.21 -5.34 3.72 -1.26 0.92 117.46 119.23 3ko3 n PHE 103 Ca -0.19 -0.18 -0.00 0.00 -0.05 0.00 0.00 57.45 57.03 3ko3 n PHE 103 Cb 0.52 -0.01 0.07 0.00 -0.94 0.00 0.00 39.48 39.12 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 2.18 -0.30 0.00 1.38 3.86 -1.97 -1.44 115.15 118.87 3ko3 h HIS 104 Ca 0.00 0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 3ko3 h HIS 104 Cb 0.57 0.23 0.00 0.00 1.06 0.00 0.00 27.41 29.27 3ko3 h HIS 104 CO 0.08 -0.26 0.00 1.28 0.86 0.00 0.00 177.93 179.89 3ko3 n LEU 105 N -5.41 0.12 -4.72 2.43 4.77 -1.26 -4.60 117.00 108.33 3ko3 n LEU 105 Ca 0.08 0.55 -0.41 0.00 -0.03 0.00 0.00 56.01 56.20 3ko3 n LEU 105 Cb 0.33 -0.56 -0.04 0.00 -2.33 0.00 0.00 43.42 40.82 3ko3 n LEU 105 CO 0.05 -0.54 0.67 0.00 -1.33 0.00 0.00 177.39 176.24 3ko3 s ALA 106 N -3.11 3.22 0.45 -1.18 0.00 -0.55 -1.42 121.76 119.17 3ko3 s ALA 106 Ca 0.01 0.57 -0.22 0.00 0.00 0.00 0.00 51.96 52.32 3ko3 s ALA 106 Cb 0.03 -3.30 -0.11 0.00 0.00 0.00 0.00 23.12 19.74 3ko3 s ALA 106 CO 0.09 -0.10 0.69 1.17 0.00 0.00 0.00 175.76 177.61 3ko3 n LYS 107 N 3.15 0.78 -1.73 0.00 4.81 -0.68 -4.63 118.16 119.86 3ko3 n LYS 107 Ca 0.04 0.29 -0.39 0.00 -0.87 0.00 0.00 58.31 57.38 3ko3 n LYS 107 Cb 0.50 -1.70 0.04 0.00 0.02 0.00 0.00 35.03 33.89 3ko3 n LYS 107 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3ko3 n GLU 108 N 0.31 1.59 -0.09 1.64 -0.58 -1.26 -4.72 120.64 117.53 3ko3 n GLU 108 Ca 0.11 0.59 -0.07 0.00 -0.42 0.00 0.00 57.16 57.37 3ko3 n GLU 108 Cb 0.41 -2.52 -0.01 0.00 -0.57 0.00 0.00 31.44 28.75 3ko3 n GLU 108 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3ko3 h PRO 109 N 1.32 -0.21 -0.66 3.49 0.11 -1.98 0.10 132.00 134.17 3ko3 h PRO 109 Ca -0.50 0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.64 3ko3 h PRO 109 Cb 1.31 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.43 3ko3 h PRO 109 CO 0.56 -0.14 0.44 -0.91 -0.21 0.00 0.00 178.00 177.74 3ko3 h ASN 110 N -0.22 0.71 0.71 -2.05 2.35 -2.00 0.23 115.58 115.31 3ko3 h ASN 110 Ca 0.17 -0.01 -0.18 0.00 -0.55 0.00 0.00 56.30 55.72 3ko3 h ASN 110 Cb 0.49 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 3ko3 h ASN 110 CO -0.48 0.50 -0.84 -0.33 -1.65 0.00 0.00 177.43 174.63 3ko3 h GLU 111 N 0.83 0.09 -0.13 0.81 5.08 -1.89 -3.15 114.58 116.22 3ko3 h GLU 111 Ca 0.25 -0.10 -0.15 0.00 -1.00 0.00 0.00 59.36 58.36 3ko3 h GLU 111 Cb -0.01 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.28 3ko3 h GLU 111 CO -0.06 0.88 -0.51 0.00 -1.00 0.00 0.00 179.01 178.32 3ko3 h ALA 112 N 1.09 0.24 0.12 3.43 0.00 0.28 -2.33 119.26 122.08 3ko3 h ALA 112 Ca -0.03 -0.50 0.01 0.00 0.00 0.00 0.00 54.91 54.39 3ko3 h ALA 112 Cb 1.47 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 3ko3 h ALA 112 CO 0.12 0.42 -0.46 1.25 0.00 0.00 0.00 179.25 180.58 3ko3 h LEU 113 N 0.20 -1.37 -0.82 0.00 5.85 -0.68 0.69 115.31 119.19 3ko3 h LEU 113 Ca -0.03 0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.90 3ko3 h LEU 113 Cb 1.14 0.50 -0.06 0.00 0.37 0.00 0.00 40.66 42.61 3ko3 h LEU 113 CO 0.11 -0.49 0.49 -0.29 -0.34 0.00 0.00 178.44 177.92 3ko3 h ILE 114 N -0.66 1.00 0.29 4.05 6.09 -1.66 0.18 117.51 126.80 3ko3 h ILE 114 Ca -0.01 -0.30 -0.01 0.00 -1.37 0.00 0.00 64.86 63.17 3ko3 h ILE 114 Cb 0.66 0.04 -0.01 0.00 0.47 0.00 0.00 36.82 37.99 3ko3 h ILE 114 CO -0.24 0.16 -0.22 0.15 -3.07 0.00 0.00 178.15 174.94 3ko3 h PHE 115 N 0.88 -0.59 -0.83 2.19 3.57 -0.99 -2.48 116.94 118.68 3ko3 h PHE 115 Ca 0.37 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 62.05 3ko3 h PHE 115 Cb 0.22 0.22 -0.16 0.00 2.79 0.00 0.00 35.95 39.02 3ko3 h PHE 115 CO -0.05 -0.31 -0.16 0.98 -2.23 0.00 0.00 178.31 176.55 3ko3 n TYR 116 N -3.64 0.35 -0.20 0.41 9.36 0.24 -0.95 117.16 122.72 3ko3 n TYR 116 Ca -0.06 1.01 -0.06 0.00 3.32 0.00 0.00 57.90 62.11 3ko3 n TYR 116 Cb 0.21 -1.01 0.09 0.00 -0.63 0.00 0.00 39.34 38.00 3ko3 n TYR 116 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 3ko3 h ASN 117 N 0.00 0.96 -0.86 2.98 4.21 -0.55 0.18 115.58 122.51 3ko3 h ASN 117 Ca 0.42 -0.21 0.08 0.00 1.21 0.00 0.00 56.30 57.80 3ko3 h ASN 117 Cb 0.70 -0.25 -0.07 0.00 -1.12 0.00 0.00 38.32 37.58 3ko3 h ASN 117 CO -0.84 0.95 0.52 0.11 -1.29 0.00 0.00 177.43 176.88 3ko3 h LYS 118 N 0.96 0.88 -0.33 0.81 1.57 -0.57 -1.28 116.57 118.60 3ko3 h LYS 118 Ca 0.20 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.78 3ko3 h LYS 118 Cb 0.39 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3ko3 h LYS 118 CO 0.01 0.58 -0.39 0.82 -0.57 0.00 0.00 179.45 179.90 3ko3 h ILE 119 N 0.90 1.28 -0.07 1.86 2.04 -0.26 0.17 117.51 123.43 3ko3 h ILE 119 Ca 0.39 -1.56 -0.01 0.00 1.00 0.00 0.00 64.86 64.69 3ko3 h ILE 119 Cb 0.27 1.44 -0.00 0.00 -0.74 0.00 0.00 36.82 37.79 3ko3 h ILE 119 CO -0.21 0.51 0.00 0.40 0.00 0.00 0.00 178.15 178.85 3ko3 h ILE 120 N 0.64 1.25 -0.76 -0.67 1.08 -0.84 0.27 117.51 118.48 3ko3 h ILE 120 Ca 0.05 -0.76 0.14 0.00 -0.39 0.00 0.00 64.86 63.90 3ko3 h ILE 120 Cb 0.94 1.62 -0.09 0.00 -3.07 0.00 0.00 36.82 36.22 3ko3 h ILE 120 CO 0.09 0.21 0.32 0.44 -0.69 0.00 0.00 178.15 178.52 3ko3 h ASP 121 N -0.16 0.31 -0.27 1.72 3.32 -1.04 -1.35 116.42 118.95 3ko3 h ASP 121 Ca 0.02 0.10 -0.16 0.00 0.02 0.00 0.00 57.03 57.01 3ko3 h ASP 121 Cb 0.33 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 3ko3 h ASP 121 CO 0.00 0.12 -0.43 -0.08 -1.72 0.00 0.00 179.24 177.14 3ko3 h GLU 122 N 0.47 0.84 -0.57 3.56 4.57 -0.61 -0.98 114.58 121.85 3ko3 h GLU 122 Ca 0.42 -0.46 0.11 0.00 -1.18 0.00 0.00 59.36 58.25 3ko3 h GLU 122 Cb 0.62 0.03 -0.11 0.00 -0.16 0.00 0.00 28.75 29.12 3ko3 h GLU 122 CO -0.39 1.10 -0.17 0.74 -1.18 0.00 0.00 179.01 179.10 3ko3 h PHE 123 N 0.67 -0.39 0.00 0.92 0.04 -0.43 -0.03 116.94 117.73 3ko3 h PHE 123 Ca 0.05 0.05 -0.05 0.00 2.80 0.00 0.00 57.97 60.82 3ko3 h PHE 123 Cb 1.01 0.26 -0.01 0.00 2.20 0.00 0.00 35.95 39.41 3ko3 h PHE 123 CO 0.06 -0.27 -0.24 0.87 -0.60 0.00 0.00 178.31 178.13 3ko3 h LYS 124 N -0.03 0.00 -0.00 1.51 1.57 -0.64 -1.65 116.57 117.32 3ko3 h LYS 124 Ca 0.27 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.01 3ko3 h LYS 124 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3ko3 h LYS 124 CO -0.60 0.24 -0.13 -0.22 -0.57 0.00 0.00 179.45 178.17 3ko3 h LYS 125 N 0.00 0.10 0.00 3.15 3.64 -0.48 -3.28 116.57 119.71 3ko3 h LYS 125 Ca -0.00 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3ko3 h LYS 125 Cb 0.53 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3ko3 h LYS 125 CO 0.03 0.84 0.00 1.04 -2.27 0.00 0.00 179.45 179.10 3ko3 n GLN 126 N -4.61 0.11 0.00 1.90 6.02 -0.09 -4.76 117.38 115.96 3ko3 n GLN 126 Ca -0.09 0.34 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 3ko3 n GLN 126 Cb 0.44 -1.71 0.00 0.00 1.02 0.00 0.00 30.24 29.99 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 -1.92 0.00 -3.78 1.08 9.36 -0.64 -5.09 117.16 116.17 3ko3 n TYR 127 Ca 0.03 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.12 3ko3 n TYR 127 Cb 0.21 0.00 -0.12 0.00 -0.63 0.00 0.00 39.34 38.81 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 1.00 -0.26 0.21 2.98 3.84 -1.24 -4.92 114.94 116.55 3ko3 s ASN 128 Ca 0.00 0.50 -0.20 0.00 0.21 0.00 0.00 52.86 53.38 3ko3 s ASN 128 Cb 0.00 0.50 0.18 0.00 -0.55 0.00 0.00 41.25 41.38 3ko3 s ASN 128 CO 0.00 -0.10 1.55 -0.78 -2.79 0.00 0.00 177.10 174.99 3ko3 h ASP 129 N 5.92 -1.52 0.21 -4.21 3.58 -1.92 -0.73 116.42 117.76 3ko3 h ASP 129 Ca -0.27 0.31 0.00 0.00 0.42 0.00 0.00 57.03 57.48 3ko3 h ASP 129 Cb 1.19 0.77 0.00 0.00 1.72 0.00 0.00 39.33 43.01 3ko3 h ASP 129 CO 0.35 -0.28 0.00 0.47 -2.88 0.00 0.00 179.24 176.90 3ko3 n ASP 130 N -5.44 0.24 -0.45 2.28 9.92 -1.26 -2.20 116.55 119.64 3ko3 n ASP 130 Ca 0.08 0.59 0.11 0.00 -0.53 0.00 0.00 54.79 55.04 3ko3 n ASP 130 Cb 0.38 -0.63 -0.01 0.00 -0.64 0.00 0.00 41.12 40.21 3ko3 n ASP 130 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3ko3 n LYS 131 N -1.80 1.20 -3.91 -1.24 4.76 -0.28 -4.88 118.16 112.00 3ko3 n LYS 131 Ca 0.01 -0.91 -0.34 0.00 -2.87 0.00 0.00 58.31 54.19 3ko3 n LYS 131 Cb 0.08 -1.46 -0.14 0.00 -1.84 0.00 0.00 35.03 31.68 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 -2.45 2.86 -0.05 -0.18 -1.09 -0.94 0.16 121.20 119.52 3ko3 s ILE 132 Ca 0.17 -1.67 -0.13 0.00 -2.23 0.00 0.00 60.65 56.79 3ko3 s ILE 132 Cb 0.17 -2.77 -0.05 0.00 -1.58 0.00 0.00 42.46 38.23 3ko3 s ILE 132 CO 0.57 -0.28 0.34 -0.54 -1.23 0.00 0.00 174.94 173.81 3ko3 s LYS 133 N 1.17 3.87 0.50 2.79 3.01 0.73 -4.95 119.74 126.86 3ko3 s LYS 133 Ca -0.01 0.26 0.06 0.00 -1.01 0.00 0.00 55.97 55.28 3ko3 s LYS 133 Cb -0.20 -3.25 0.02 0.00 -1.01 0.00 0.00 37.83 33.39 3ko3 s LYS 133 CO -0.03 0.64 0.39 0.96 0.51 0.00 0.00 175.35 177.82 3ko3 s ILE 134 N -0.82 1.96 0.00 2.17 -4.36 -1.26 -0.01 121.20 118.87 3ko3 s ILE 134 Ca 0.21 -1.46 0.00 0.00 -0.26 0.00 0.00 60.65 59.14 3ko3 s ILE 134 Cb -0.15 -2.42 0.00 0.00 1.25 0.00 0.00 42.46 41.14 3ko3 s ILE 134 CO 0.10 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.89 3ko3 n GLY 135 N -1.68 1.71 2.88 6.27 0.00 -1.24 -4.80 105.19 108.32 3ko3 n GLY 135 Ca 0.00 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 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 4.21 1.35 0.08 1.61 2.20 -1.26 -5.08 119.74 122.84 3ko3 s LYS 136 Ca 0.00 -0.44 -0.31 0.00 -0.36 0.00 0.00 55.97 54.86 3ko3 s LYS 136 Cb 0.00 -1.90 -0.09 0.00 -1.51 0.00 0.00 37.83 34.33 3ko3 s LYS 136 CO 0.00 -0.42 1.75 0.12 -0.36 0.00 0.00 175.35 176.45 3ko3 s PHE 137 N 1.68 2.16 -1.61 4.03 5.36 -1.26 -2.61 117.98 125.73 3ko3 s PHE 137 Ca 0.01 0.10 0.00 0.00 -0.96 0.00 0.00 56.93 56.08 3ko3 s PHE 137 Cb -0.15 -4.07 0.00 0.00 -0.34 0.00 0.00 43.02 38.46 3ko3 s PHE 137 CO -0.08 -4.43 0.00 0.41 -1.46 0.00 0.00 175.22 169.66 3ko3 n GLY 138 N 4.15 0.23 3.62 13.12 0.00 -1.26 -5.01 105.19 120.05 3ko3 n GLY 138 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.19 4.62 0.34 1.61 0.02 -1.07 -5.10 114.94 113.17 3ko3 s ASN 139 Ca 0.00 -0.31 -0.28 0.00 -1.02 0.00 0.00 52.86 51.25 3ko3 s ASN 139 Cb 0.00 -0.97 -0.12 0.00 0.02 0.00 0.00 41.25 40.18 3ko3 s ASN 139 CO 0.00 0.18 1.39 0.00 0.02 0.00 0.00 177.10 178.69 3ko3 n TYR 140 N 0.67 2.58 -4.10 2.20 9.36 -1.26 -4.90 117.16 121.70 3ko3 n TYR 140 Ca -0.13 0.48 -0.15 0.00 3.32 0.00 0.00 57.90 61.43 3ko3 n TYR 140 Cb 0.52 -2.48 -0.12 0.00 -0.63 0.00 0.00 39.34 36.64 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 -1.76 0.63 -0.23 2.98 -1.94 -1.26 -4.53 119.30 113.19 3ko3 s MET 141 Ca 0.56 -0.84 0.02 0.00 -1.71 0.00 0.00 55.69 53.73 3ko3 s MET 141 Cb -0.53 -0.47 0.05 0.00 2.01 0.00 0.00 34.83 35.88 3ko3 s MET 141 CO 0.61 0.09 -0.13 1.21 -0.01 0.00 0.00 175.02 176.79 3ko3 s ASN 142 N -1.66 3.98 -0.31 3.03 2.47 0.15 -4.97 114.94 117.64 3ko3 s ASN 142 Ca -0.07 -1.14 0.03 0.00 0.42 0.00 0.00 52.86 52.10 3ko3 s ASN 142 Cb -0.10 -1.50 0.08 0.00 -1.45 0.00 0.00 41.25 38.29 3ko3 s ASN 142 CO 0.01 -0.13 -0.00 -0.63 -3.72 0.00 0.00 177.10 172.62 3ko3 s ILE 143 N 1.18 2.09 -0.24 -5.21 1.01 -1.25 0.61 121.20 119.40 3ko3 s ILE 143 Ca -0.04 -1.98 -0.29 0.00 0.00 0.00 0.00 60.65 58.34 3ko3 s ILE 143 Cb -0.18 -2.42 -0.00 0.00 0.01 0.00 0.00 42.46 39.87 3ko3 s ILE 143 CO -0.08 -0.39 1.22 -1.81 0.00 0.00 0.00 174.94 173.88 3ko3 s ASP 144 N 1.05 6.88 -0.23 3.58 1.01 0.17 -4.87 116.67 124.26 3ko3 s ASP 144 Ca 0.03 1.40 0.02 0.00 0.71 0.00 0.00 52.55 54.71 3ko3 s ASP 144 Cb -0.19 -2.54 0.05 0.00 1.01 0.00 0.00 42.92 41.25 3ko3 s ASP 144 CO -0.08 -0.87 -0.12 -0.69 0.21 0.00 0.00 175.17 173.62 3ko3 s VAL 145 N 3.76 1.97 -0.67 -1.27 1.01 -1.26 0.23 120.40 124.16 3ko3 s VAL 145 Ca 0.52 -1.31 -0.27 0.00 0.00 0.00 0.00 61.98 60.93 3ko3 s VAL 145 Cb -0.18 -2.02 0.03 0.00 0.00 0.00 0.00 36.38 34.22 3ko3 s VAL 145 CO 0.16 0.13 1.20 -0.89 0.00 0.00 0.00 175.10 175.71 3ko3 s THR 146 N 1.23 3.91 0.13 3.92 2.01 -0.84 -5.02 115.64 120.98 3ko3 s THR 146 Ca -0.04 0.46 -0.30 0.00 0.31 0.00 0.00 61.69 62.12 3ko3 s THR 146 Cb -0.18 -4.82 -0.06 0.00 0.01 0.00 0.00 72.50 67.46 3ko3 s THR 146 CO -0.08 -1.62 0.97 0.20 -0.69 0.00 0.00 174.62 173.40 3ko3 s ASN 147 N 3.45 7.50 -0.50 3.53 0.01 -1.26 -1.98 114.94 125.69 3ko3 s ASN 147 Ca 0.36 1.83 -0.06 0.00 -0.71 0.00 0.00 52.86 54.28 3ko3 s ASN 147 Cb -0.09 -2.59 0.13 0.00 0.41 0.00 0.00 41.25 39.11 3ko3 s ASN 147 CO 0.18 -0.06 0.33 -0.62 -1.51 0.00 0.00 177.10 175.42 3ko3 s ASP 148 N -0.11 5.48 0.00 -1.22 2.15 -0.55 -4.71 116.67 117.71 3ko3 s ASP 148 Ca 0.47 -2.21 0.00 0.00 0.43 0.00 0.00 52.55 51.24 3ko3 s ASP 148 Cb -0.24 -1.92 0.00 0.00 -0.30 0.00 0.00 42.92 40.46 3ko3 s ASP 148 CO 0.30 -0.56 0.00 0.61 -0.17 0.00 0.00 175.17 175.35 3ko3 n GLY 149 N 4.42 3.12 3.90 2.66 0.00 -1.26 -3.32 105.19 114.72 3ko3 n GLY 149 Ca -0.01 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 44.99 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 2.54 -0.22 1.61 0.04 -1.26 -5.16 135.00 132.55 3ko3 s PRO 150 Ca 0.00 0.12 -0.00 0.00 0.04 0.00 0.00 61.00 61.16 3ko3 s PRO 150 Cb 0.00 -2.10 0.06 0.00 0.04 0.00 0.00 34.50 32.50 3ko3 s PRO 150 CO 0.00 -1.12 -0.02 0.08 0.04 0.00 0.00 177.00 175.97 3ko3 s VAL 151 N -3.30 1.22 -0.28 -0.36 1.01 -1.21 -5.04 120.40 112.43 3ko3 s VAL 151 Ca 0.58 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.50 3ko3 s VAL 151 Cb -0.11 -1.57 0.03 0.00 0.00 0.00 0.00 36.38 34.73 3ko3 s VAL 151 CO 0.48 -0.15 0.01 -0.89 0.00 0.00 0.00 175.10 174.56 3ko3 s THR 152 N 1.54 3.36 -0.16 3.92 2.01 -1.26 -1.92 115.64 123.13 3ko3 s THR 152 Ca -0.04 -0.99 -0.09 0.00 0.31 0.00 0.00 61.69 60.88 3ko3 s THR 152 Cb -0.18 -2.78 -0.05 0.00 0.01 0.00 0.00 72.50 69.50 3ko3 s THR 152 CO -0.07 0.06 0.16 -0.63 -0.69 0.00 0.00 174.62 173.45 3ko3 s ILE 153 N 1.38 5.43 -0.22 1.82 -1.09 0.81 -4.93 121.20 124.41 3ko3 s ILE 153 Ca -0.00 0.26 0.01 0.00 -2.23 0.00 0.00 60.65 58.69 3ko3 s ILE 153 Cb -0.18 -3.47 0.03 0.00 -1.58 0.00 0.00 42.46 37.27 3ko3 s ILE 153 CO -0.01 0.51 -0.15 -0.47 -1.23 0.00 0.00 174.94 173.60 3ko3 s TYR 154 N -0.25 2.98 0.05 3.97 5.04 -1.26 0.87 117.35 128.74 3ko3 s TYR 154 Ca 0.12 -1.84 0.08 0.00 -2.44 0.00 0.00 57.07 52.99 3ko3 s TYR 154 Cb -0.12 -1.95 -0.03 0.00 0.35 0.00 0.00 41.96 40.21 3ko3 s TYR 154 CO 0.02 -0.82 -0.19 0.42 -1.34 0.00 0.00 175.55 173.64 3ko3 s ILE 155 N 1.24 2.70 -0.21 3.14 1.01 -0.69 -5.00 121.20 123.39 3ko3 s ILE 155 Ca -0.00 -1.24 -0.03 0.00 0.00 0.00 0.00 60.65 59.38 3ko3 s ILE 155 Cb -0.16 -2.13 0.07 0.00 0.01 0.00 0.00 42.46 40.25 3ko3 s ILE 155 CO -0.09 0.32 0.06 -0.62 0.00 0.00 0.00 174.94 174.61 3ko3 s ASP 156 N -1.46 3.00 0.49 3.58 -1.08 -1.26 0.09 116.67 120.03 3ko3 s ASP 156 Ca 0.14 -0.92 0.21 0.00 -0.52 0.00 0.00 52.55 51.47 3ko3 s ASP 156 Cb -0.10 -0.54 1.26 0.00 -1.46 0.00 0.00 42.92 42.07 3ko3 s ASP 156 CO 0.05 -0.34 2.04 0.71 0.52 0.00 0.00 175.17 178.16 3ko3 h THR 157 N 6.49 0.84 0.00 1.71 1.35 -0.91 -1.89 112.91 120.51 3ko3 h THR 157 Ca -0.16 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 3ko3 h THR 157 Cb 1.10 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 3ko3 h THR 157 CO 0.35 0.14 0.00 1.41 -0.25 0.00 0.00 175.52 177.18 3ko3 n HIS 158 N -3.98 0.00 0.64 4.73 8.25 -1.26 -1.15 115.22 122.44 3ko3 n HIS 158 Ca -0.02 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.55 3ko3 n HIS 158 Cb 0.23 -0.12 0.11 0.00 1.12 0.00 0.00 29.99 31.33 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 -1.12 0.64 -1.22 0.41 8.00 -0.71 -4.83 116.55 117.72 3ko3 n ASP 159 Ca 0.06 -0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.46 3ko3 n ASP 159 Cb 0.05 0.48 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 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 -1.95 0.00 -0.61 0.53 2.08 -0.30 -5.14 119.36 113.97 3ko3 n ILE 160 Ca 0.03 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.34 3ko3 n ILE 160 Cb 0.42 -1.38 0.00 0.00 -0.75 0.00 0.00 39.64 37.93 3ko3 n ILE 160 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70