#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ko5 s ARG 2 N 0.00 2.58 -0.02 2.12 0.52 -0.17 -1.11 118.95 122.87 3ko5 s ARG 2 Ca 0.00 -0.75 0.01 0.00 -0.52 0.00 0.00 55.73 54.48 3ko5 s ARG 2 Cb 0.00 -2.35 0.01 0.00 0.52 0.00 0.00 34.95 33.13 3ko5 s ARG 2 CO 0.00 0.53 -0.05 0.54 0.02 0.00 0.00 175.30 176.35 3ko5 s VAL 3 N -0.51 0.45 -0.26 3.52 0.11 -0.02 0.87 120.40 124.55 3ko5 s VAL 3 Ca 0.07 -0.16 -0.07 0.00 -2.93 0.00 0.00 61.98 58.88 3ko5 s VAL 3 Cb -0.12 -0.44 -0.02 0.00 -1.53 0.00 0.00 36.38 34.27 3ko5 s VAL 3 CO 0.01 0.17 0.08 -0.69 -3.33 0.00 0.00 175.10 171.34 3ko5 s VAL 4 N 0.42 4.28 -0.24 2.04 1.01 -0.03 -1.74 120.40 126.13 3ko5 s VAL 4 Ca -0.05 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 61.57 3ko5 s VAL 4 Cb -0.09 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 3ko5 s VAL 4 CO -0.00 0.26 0.05 -0.63 0.00 0.00 0.00 175.10 174.78 3ko5 s ILE 5 N 1.59 4.17 -0.08 2.22 1.01 0.67 -0.54 121.20 130.25 3ko5 s ILE 5 Ca 0.06 -0.22 0.03 0.00 0.00 0.00 0.00 60.65 60.51 3ko5 s ILE 5 Cb -0.16 -2.94 -0.02 0.00 0.01 0.00 0.00 42.46 39.35 3ko5 s ILE 5 CO 0.04 0.35 -0.16 -1.10 0.00 0.00 0.00 174.94 174.07 3ko5 s GLN 6 N 1.58 2.84 -0.15 2.79 -0.21 -0.43 -0.28 119.66 125.79 3ko5 s GLN 6 Ca 0.06 -0.74 -0.26 0.00 0.02 0.00 0.00 55.36 54.45 3ko5 s GLN 6 Cb -0.15 -2.43 -0.02 0.00 1.00 0.00 0.00 33.01 31.42 3ko5 s GLN 6 CO 0.03 0.42 0.85 0.50 -2.12 0.00 0.00 175.29 174.97 3ko5 s ARG 7 N -0.21 4.33 0.12 2.91 3.52 -0.57 -1.67 118.95 127.38 3ko5 s ARG 7 Ca -0.00 1.07 0.08 0.00 -0.13 0.00 0.00 55.73 56.75 3ko5 s ARG 7 Cb -0.13 -3.56 -0.04 0.00 -1.56 0.00 0.00 34.95 29.66 3ko5 s ARG 7 CO 0.03 -0.29 -0.21 0.14 -0.81 0.00 0.00 175.30 174.17 3ko5 s VAL 8 N 2.00 1.78 -0.40 7.11 -7.23 -0.33 -0.69 120.40 122.64 3ko5 s VAL 8 Ca 0.40 -1.66 0.23 0.00 -1.81 0.00 0.00 61.98 59.14 3ko5 s VAL 8 Cb -0.17 -1.67 0.11 0.00 0.56 0.00 0.00 36.38 35.21 3ko5 s VAL 8 CO 0.14 -0.12 1.28 0.11 -0.31 0.00 0.00 175.10 176.20 3ko5 h LYS 9 N 3.83 0.00 0.00 4.82 1.79 -0.70 -2.68 116.57 123.63 3ko5 h LYS 9 Ca -0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 3ko5 h LYS 9 Cb 1.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 3ko5 h LYS 9 CO 0.43 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 179.21 3ko5 n GLY 10 N 1.20 1.10 3.12 3.86 0.00 -1.16 -2.53 105.19 110.78 3ko5 n GLY 10 Ca 0.02 -0.55 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 3ko5 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ko5 s ALA 11 N -2.00 -0.70 -0.20 4.61 0.00 -0.64 -0.53 121.76 122.30 3ko5 s ALA 11 Ca 0.00 1.12 -0.00 0.00 0.00 0.00 0.00 51.96 53.07 3ko5 s ALA 11 Cb 0.00 -0.69 0.02 0.00 0.00 0.00 0.00 23.12 22.44 3ko5 s ALA 11 CO 0.00 -0.21 -0.15 0.42 0.00 0.00 0.00 175.76 175.82 3ko5 s ILE 12 N 1.19 2.42 -0.21 0.00 1.01 -0.15 -1.13 121.20 124.34 3ko5 s ILE 12 Ca -0.09 -0.86 -0.06 0.00 0.00 0.00 0.00 60.65 59.64 3ko5 s ILE 12 Cb -0.09 -2.07 -0.03 0.00 0.01 0.00 0.00 42.46 40.28 3ko5 s ILE 12 CO -0.09 0.47 0.03 -0.22 0.00 0.00 0.00 174.94 175.13 3ko5 s LEU 13 N 1.33 3.37 0.18 2.97 0.20 0.22 -0.96 118.68 126.00 3ko5 s LEU 13 Ca 0.04 -0.17 0.09 0.00 0.69 0.00 0.00 54.13 54.78 3ko5 s LEU 13 Cb -0.14 -1.87 -0.04 0.00 -0.43 0.00 0.00 46.19 43.71 3ko5 s LEU 13 CO -0.10 0.04 -0.19 -0.44 -0.29 0.00 0.00 176.35 175.37 3ko5 s SER 14 N 1.13 2.86 0.33 3.68 0.01 0.17 -1.17 113.70 120.71 3ko5 s SER 14 Ca 0.03 -0.87 0.05 0.00 1.31 0.00 0.00 55.95 56.47 3ko5 s SER 14 Cb -0.14 -0.18 -0.07 0.00 0.21 0.00 0.00 66.02 65.84 3ko5 s SER 14 CO 0.02 -0.00 0.02 0.68 0.41 0.00 0.00 173.24 174.36 3ko5 s VAL 15 N -2.01 1.50 -0.14 3.43 -7.23 0.12 -0.57 120.40 115.49 3ko5 s VAL 15 Ca 0.17 -2.03 -0.29 0.00 -1.81 0.00 0.00 61.98 58.01 3ko5 s VAL 15 Cb -0.06 -2.75 -0.01 0.00 0.56 0.00 0.00 36.38 34.12 3ko5 s VAL 15 CO 0.08 -0.08 1.07 -0.13 -0.31 0.00 0.00 175.10 175.72 3ko5 s ARG 16 N -3.81 4.34 0.00 4.82 0.52 -1.26 -0.42 118.95 123.15 3ko5 s ARG 16 Ca 0.34 1.44 0.00 0.00 -0.52 0.00 0.00 55.73 57.00 3ko5 s ARG 16 Cb 0.08 -3.59 0.00 0.00 0.52 0.00 0.00 34.95 31.95 3ko5 s ARG 16 CO 0.15 -0.47 0.00 0.36 0.02 0.00 0.00 175.30 175.36 3ko5 n LYS 17 N 5.59 0.00 0.03 3.54 2.85 -1.26 -4.87 118.16 124.04 3ko5 n LYS 17 Ca 0.11 0.36 -0.11 0.00 -1.05 0.00 0.00 58.31 57.61 3ko5 n LYS 17 Cb 0.47 -0.85 -0.06 0.00 -0.65 0.00 0.00 35.03 33.94 3ko5 n LYS 17 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 3ko5 h GLU 26 N 0.00 -0.03 -6.12 -1.58 9.09 -2.09 -3.50 114.58 110.35 3ko5 h GLU 26 Ca 0.00 0.00 -0.60 0.00 0.05 0.00 0.00 59.36 58.81 3ko5 h GLU 26 Cb 0.00 0.01 -0.27 0.00 -1.65 0.00 0.00 28.75 26.83 3ko5 h GLU 26 CO 0.00 -0.02 -0.85 -0.51 0.05 0.00 0.00 179.01 177.68 3ko5 s LEU 27 N -10.25 2.12 -0.05 3.06 1.43 -1.26 -5.03 118.68 108.70 3ko5 s LEU 27 Ca -0.13 -0.48 0.06 0.00 -1.03 0.00 0.00 54.13 52.55 3ko5 s LEU 27 Cb 0.07 -1.03 -0.01 0.00 0.03 0.00 0.00 46.19 45.25 3ko5 s LEU 27 CO 0.67 0.20 -0.24 -1.83 0.23 0.00 0.00 176.35 175.37 3ko5 s GLU 28 N -0.95 2.42 -0.07 1.70 -1.05 0.44 -4.94 118.70 116.25 3ko5 s GLU 28 Ca 0.08 -0.90 -0.30 0.00 -0.15 0.00 0.00 54.97 53.71 3ko5 s GLU 28 Cb -0.09 -2.15 -0.02 0.00 -0.44 0.00 0.00 34.13 31.44 3ko5 s GLU 28 CO 0.01 0.45 1.07 0.42 0.95 0.00 0.00 175.26 178.17 3ko5 s ILE 29 N -0.34 4.59 -0.11 1.83 1.01 -1.26 -0.71 121.20 126.21 3ko5 s ILE 29 Ca 0.02 1.87 0.09 0.00 0.00 0.00 0.00 60.65 62.63 3ko5 s ILE 29 Cb -0.12 -4.20 -0.13 0.00 0.01 0.00 0.00 42.46 38.01 3ko5 s ILE 29 CO 0.02 0.02 0.03 2.30 0.00 0.00 0.00 174.94 177.31 3ko5 n ILE 30 N 4.47 0.75 -4.16 2.92 -6.64 -0.32 -4.96 119.36 111.42 3ko5 n ILE 30 Ca 0.09 -0.45 -0.16 0.00 -1.77 0.00 0.00 62.75 60.46 3ko5 n ILE 30 Cb 0.48 -0.73 -0.11 0.00 -1.44 0.00 0.00 39.64 37.84 3ko5 n ILE 30 CO 0.00 0.00 0.00 -0.44 -1.77 0.00 0.00 176.55 174.34 3ko5 s SER 31 N -4.40 1.50 -0.25 7.28 0.01 -1.05 -5.04 113.70 111.76 3ko5 s SER 31 Ca -0.06 -0.69 -0.22 0.00 1.31 0.00 0.00 55.95 56.29 3ko5 s SER 31 Cb 0.03 -0.02 0.07 0.00 0.21 0.00 0.00 66.02 66.31 3ko5 s SER 31 CO 0.44 -0.16 0.66 -0.70 0.41 0.00 0.00 173.24 173.89 3ko5 s GLU 32 N -2.15 0.75 0.18 12.44 2.12 -1.26 -0.61 118.70 130.18 3ko5 s GLU 32 Ca 0.00 0.97 0.06 0.00 0.36 0.00 0.00 54.97 56.37 3ko5 s GLU 32 Cb -0.07 0.33 -0.05 0.00 0.26 0.00 0.00 34.13 34.60 3ko5 s GLU 32 CO 0.01 -0.10 -0.13 0.96 -0.54 0.00 0.00 175.26 175.46 3ko5 s ILE 33 N 0.59 1.52 0.00 -3.70 -4.36 -0.28 -5.00 121.20 109.96 3ko5 s ILE 33 Ca -0.02 -2.15 0.00 0.00 -0.26 0.00 0.00 60.65 58.22 3ko5 s ILE 33 Cb -0.05 -1.96 0.00 0.00 1.25 0.00 0.00 42.46 41.70 3ko5 s ILE 33 CO -0.03 -0.65 0.00 0.29 0.24 0.00 0.00 174.94 174.79 3ko5 n LYS 34 N -0.29 0.00 -1.90 0.37 4.76 -1.26 -1.62 118.16 118.22 3ko5 n LYS 34 Ca -0.09 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 54.95 3ko5 n LYS 34 Cb 0.60 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.80 3ko5 n LYS 34 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3ko5 s ASN 35 N -1.00 6.23 0.00 4.39 0.01 -1.05 -3.00 114.94 120.52 3ko5 s ASN 35 Ca 0.00 2.87 0.00 0.00 -0.71 0.00 0.00 52.86 55.02 3ko5 s ASN 35 Cb 0.00 -2.65 0.00 0.00 0.41 0.00 0.00 41.25 39.01 3ko5 s ASN 35 CO 0.00 -0.93 0.00 0.61 -1.51 0.00 0.00 177.10 175.27 3ko5 n GLY 36 N 0.59 0.02 3.04 0.66 0.00 -1.01 -1.78 105.19 106.71 3ko5 n GLY 36 Ca 0.03 -0.90 -0.20 0.00 0.00 0.00 0.00 46.02 44.95 3ko5 n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ko5 s LEU 37 N 0.00 1.95 -0.23 0.99 1.43 0.31 -1.19 118.68 121.94 3ko5 s LEU 37 Ca 0.00 -0.20 -0.10 0.00 -1.03 0.00 0.00 54.13 52.80 3ko5 s LEU 37 Cb 0.00 -0.57 -0.05 0.00 0.03 0.00 0.00 46.19 45.60 3ko5 s LEU 37 CO 0.00 0.11 0.14 -0.51 0.23 0.00 0.00 176.35 176.33 3ko5 s ILE 38 N -0.11 5.28 -0.25 -0.59 2.07 -0.67 -0.45 121.20 126.47 3ko5 s ILE 38 Ca 0.02 0.15 -0.01 0.00 -1.41 0.00 0.00 60.65 59.39 3ko5 s ILE 38 Cb -0.06 -3.45 0.03 0.00 0.13 0.00 0.00 42.46 39.11 3ko5 s ILE 38 CO -0.00 0.37 -0.06 0.00 -1.91 0.00 0.00 174.94 173.33 3ko5 s PHE 40 N 1.30 3.12 -0.28 0.00 0.08 0.30 -0.98 117.98 121.53 3ko5 s PHE 40 Ca -0.01 0.26 -0.04 0.00 0.12 0.00 0.00 56.93 57.26 3ko5 s PHE 40 Cb -0.17 -3.24 0.02 0.00 -0.57 0.00 0.00 43.02 39.06 3ko5 s PHE 40 CO -0.05 -0.71 0.02 -1.17 -0.10 0.00 0.00 175.22 173.21 3ko5 s LEU 41 N 2.80 3.58 -0.20 -0.37 0.20 0.68 -0.85 118.68 124.51 3ko5 s LEU 41 Ca 0.25 -0.82 -0.13 0.00 0.69 0.00 0.00 54.13 54.12 3ko5 s LEU 41 Cb -0.14 -1.78 -0.05 0.00 -0.43 0.00 0.00 46.19 43.80 3ko5 s LEU 41 CO 0.16 -0.17 0.27 -0.83 -0.29 0.00 0.00 176.35 175.50 3ko5 s GLY 42 N 1.41 2.08 -0.32 7.98 0.00 0.25 -0.37 107.32 118.35 3ko5 s GLY 42 Ca 0.01 -0.63 -0.10 0.00 0.00 0.00 0.00 44.72 44.00 3ko5 s GLY 42 CO -0.01 0.52 0.16 -0.42 0.00 0.00 0.00 173.10 173.36 3ko5 s ILE 43 N 0.93 4.62 0.52 0.90 1.01 -1.26 -1.00 121.20 126.93 3ko5 s ILE 43 Ca 0.14 -0.47 -0.19 0.00 0.00 0.00 0.00 60.65 60.12 3ko5 s ILE 43 Cb -0.14 -3.39 -0.07 0.00 0.01 0.00 0.00 42.46 38.88 3ko5 s ILE 43 CO 0.05 0.02 1.08 -2.28 0.00 0.00 0.00 174.94 173.81 3ko5 s HIS 44 N 1.61 2.85 0.50 3.97 5.65 -1.26 0.15 115.29 128.76 3ko5 s HIS 44 Ca 0.04 1.56 0.18 0.00 0.25 0.00 0.00 55.06 57.09 3ko5 s HIS 44 Cb -0.17 -3.15 1.23 0.00 -1.18 0.00 0.00 32.58 29.31 3ko5 s HIS 44 CO 0.06 -1.18 2.06 1.57 -0.65 0.00 0.00 174.74 176.60 3ko5 h LYS 45 N 1.28 0.12 -0.64 2.88 2.10 -1.53 -2.44 116.57 118.34 3ko5 h LYS 45 Ca -0.49 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 3ko5 h LYS 45 Cb 1.24 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 3ko5 h LYS 45 CO 0.58 0.08 0.00 0.09 -2.00 0.00 0.00 179.45 178.20 3ko5 n ASN 46 N -4.47 3.80 -4.74 7.07 3.02 -1.26 -4.88 115.26 113.80 3ko5 n ASN 46 Ca 0.04 -1.99 -0.42 0.00 -0.03 0.00 0.00 54.58 52.18 3ko5 n ASN 46 Cb 0.32 -0.42 -0.01 0.00 -0.61 0.00 0.00 39.78 39.06 3ko5 n ASN 46 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3ko5 n ASP 47 N 1.56 3.66 -4.82 6.41 8.00 -0.92 -5.02 116.55 125.42 3ko5 n ASP 47 Ca 0.23 1.18 -0.25 0.00 0.71 0.00 0.00 54.79 56.66 3ko5 n ASP 47 Cb 0.61 -1.58 -0.04 0.00 -0.02 0.00 0.00 41.12 40.09 3ko5 n ASP 47 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3ko5 s THR 48 N -0.43 2.16 0.46 -3.53 -4.23 -1.26 -5.01 115.64 103.79 3ko5 s THR 48 Ca 0.60 -1.56 0.27 0.00 -1.18 0.00 0.00 61.69 59.82 3ko5 s THR 48 Cb -0.51 -2.72 0.30 0.00 1.34 0.00 0.00 72.50 70.92 3ko5 s THR 48 CO 0.54 0.00 2.12 -0.25 -0.54 0.00 0.00 174.62 176.49 3ko5 h TRP 49 N 1.13 0.00 -0.06 3.99 2.91 -2.00 -1.70 115.95 120.22 3ko5 h TRP 49 Ca -0.41 0.00 -0.12 0.00 1.13 0.00 0.00 58.89 59.49 3ko5 h TRP 49 Cb 1.27 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.91 3ko5 h TRP 49 CO 0.74 0.09 -0.52 0.93 -1.03 0.00 0.00 178.44 178.65 3ko5 h GLU 50 N 0.00 0.16 -0.36 2.65 4.39 -1.98 0.04 114.58 119.48 3ko5 h GLU 50 Ca -0.00 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.56 3ko5 h GLU 50 Cb 0.25 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 3ko5 h GLU 50 CO 0.01 0.65 0.03 -0.44 -1.16 0.00 0.00 179.01 178.10 3ko5 h ASP 51 N 0.13 0.60 0.20 1.42 3.32 -1.71 -2.43 116.42 117.95 3ko5 h ASP 51 Ca 0.00 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 3ko5 h ASP 51 Cb 0.96 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.36 3ko5 h ASP 51 CO 0.08 0.73 -0.10 0.00 -1.72 0.00 0.00 179.24 178.23 3ko5 h ALA 52 N 0.89 -0.27 -1.00 3.45 0.00 -1.32 -2.92 119.26 118.09 3ko5 h ALA 52 Ca 0.11 -0.07 0.21 0.00 0.00 0.00 0.00 54.91 55.16 3ko5 h ALA 52 Cb 0.40 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.18 3ko5 h ALA 52 CO 0.01 -0.64 0.60 -0.07 0.00 0.00 0.00 179.25 179.15 3ko5 h LEU 53 N -0.30 0.72 -0.07 0.00 4.07 -0.97 -1.73 115.31 117.04 3ko5 h LEU 53 Ca -0.03 0.12 -0.01 0.00 0.08 0.00 0.00 57.88 58.04 3ko5 h LEU 53 Cb 0.23 -0.01 -0.00 0.00 1.08 0.00 0.00 40.66 41.96 3ko5 h LEU 53 CO 0.05 0.19 -0.00 0.22 -1.08 0.00 0.00 178.44 177.82 3ko5 h TYR 54 N 0.68 0.13 -0.26 1.13 3.20 -1.31 -2.16 116.97 118.37 3ko5 h TYR 54 Ca 0.61 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.48 3ko5 h TYR 54 Cb 1.04 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 39.25 3ko5 h TYR 54 CO -0.01 0.39 0.09 0.82 -1.64 0.00 0.00 178.16 177.81 3ko5 h ILE 55 N -0.17 0.93 -0.05 1.81 1.08 -1.27 -0.98 117.51 118.86 3ko5 h ILE 55 Ca 0.02 -0.07 0.02 0.00 -0.39 0.00 0.00 64.86 64.44 3ko5 h ILE 55 Cb 0.34 0.71 -0.02 0.00 -3.07 0.00 0.00 36.82 34.78 3ko5 h ILE 55 CO 0.00 0.04 -0.07 0.40 -0.69 0.00 0.00 178.15 177.83 3ko5 h ILE 56 N 0.20 0.79 -0.61 -0.67 2.04 -1.34 0.97 117.51 118.90 3ko5 h ILE 56 Ca 0.11 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.99 3ko5 h ILE 56 Cb 0.08 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 3ko5 h ILE 56 CO -0.12 0.00 0.39 -0.09 0.00 0.00 0.00 178.15 178.33 3ko5 h ARG 57 N -0.11 0.75 -0.21 2.37 2.43 -1.24 -1.38 114.38 116.99 3ko5 h ARG 57 Ca 0.05 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3ko5 h ARG 57 Cb 0.17 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3ko5 h ARG 57 CO -0.11 0.50 -0.03 0.87 -1.51 0.00 0.00 179.97 179.68 3ko5 h LYS 58 N 0.77 0.39 -0.97 0.20 1.79 -0.89 -1.54 116.57 116.32 3ko5 h LYS 58 Ca 0.23 -0.14 0.06 0.00 -2.18 0.00 0.00 60.65 58.62 3ko5 h LYS 58 Cb -0.03 -0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 30.53 3ko5 h LYS 58 CO -0.08 0.62 0.63 0.00 -1.08 0.00 0.00 179.45 179.54 3ko5 h LEU 60 N 1.16 0.00 0.00 0.00 3.38 -1.19 -3.39 115.31 115.26 3ko5 h LEU 60 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 3ko5 h LEU 60 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3ko5 h LEU 60 CO -0.15 0.62 -1.21 0.59 0.09 0.00 0.00 178.44 178.37 3ko5 n ASN 61 N -3.20 3.02 -4.66 -0.43 3.02 -0.59 -3.95 115.26 108.46 3ko5 n ASN 61 Ca -0.00 -0.08 -0.47 0.00 -0.03 0.00 0.00 54.58 54.01 3ko5 n ASN 61 Cb 0.79 1.29 -0.04 0.00 -0.61 0.00 0.00 39.78 41.21 3ko5 n ASN 61 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3ko5 n LEU 62 N -1.68 3.00 -4.43 3.41 4.77 -0.20 -4.65 117.00 117.22 3ko5 n LEU 62 Ca -0.01 1.08 -0.44 0.00 -0.03 0.00 0.00 56.01 56.61 3ko5 n LEU 62 Cb 0.18 -1.40 -0.03 0.00 -2.33 0.00 0.00 43.42 39.84 3ko5 n LEU 62 CO 0.15 -0.33 0.84 -0.13 -1.33 0.00 0.00 177.39 176.58 3ko5 s ARG 63 N 1.07 3.49 0.00 3.23 0.52 -1.26 -4.18 118.95 121.82 3ko5 s ARG 63 Ca 0.80 -1.69 0.09 0.00 -0.52 0.00 0.00 55.73 54.41 3ko5 s ARG 63 Cb -0.70 -4.72 -0.06 0.00 0.52 0.00 0.00 34.95 29.99 3ko5 s ARG 63 CO 0.39 -1.70 0.46 1.28 0.02 0.00 0.00 175.30 175.75 3ko5 n LEU 64 N 6.37 0.71 -4.69 2.53 4.77 -0.50 -3.91 117.00 122.28 3ko5 n LEU 64 Ca 0.16 -0.61 -0.33 0.00 -0.03 0.00 0.00 56.01 55.20 3ko5 n LEU 64 Cb 0.48 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.48 3ko5 n LEU 64 CO 0.51 0.16 -0.31 0.26 -1.33 0.00 0.00 177.39 176.67 3ko5 s TRP 65 N -1.59 3.12 0.67 -1.77 0.51 -0.73 -4.77 118.94 114.38 3ko5 s TRP 65 Ca 0.05 0.13 -0.14 0.00 -2.12 0.00 0.00 56.10 54.02 3ko5 s TRP 65 Cb 0.07 -1.72 0.00 0.00 -0.81 0.00 0.00 33.47 31.02 3ko5 s TRP 65 CO 0.30 0.47 1.09 -0.80 -0.51 0.00 0.00 176.95 177.50 3ko5 s ASN 66 N -1.34 5.17 -0.34 2.95 -0.87 -1.26 -1.25 114.94 117.99 3ko5 s ASN 66 Ca 0.18 1.88 -0.01 0.00 -1.57 0.00 0.00 52.86 53.34 3ko5 s ASN 66 Cb -0.11 -2.54 0.13 0.00 -0.02 0.00 0.00 41.25 38.71 3ko5 s ASN 66 CO 0.08 -1.59 0.18 0.21 -2.57 0.00 0.00 177.10 173.41 3ko5 s ASN 67 N -2.92 3.31 0.01 -1.22 2.47 0.33 -4.76 114.94 112.16 3ko5 s ASN 67 Ca 0.64 -1.97 -0.19 0.00 0.42 0.00 0.00 52.86 51.76 3ko5 s ASN 67 Cb -0.18 -0.52 -0.10 0.00 -1.45 0.00 0.00 41.25 39.00 3ko5 s ASN 67 CO 0.45 -0.35 0.51 -0.67 -3.72 0.00 0.00 177.10 173.32 3ko5 n ASP 68 N 4.35 -0.08 0.00 -4.21 2.03 -1.26 -0.79 116.55 116.59 3ko5 n ASP 68 Ca 0.06 0.58 0.00 0.00 0.52 0.00 0.00 54.79 55.95 3ko5 n ASP 68 Cb 0.38 -0.47 0.00 0.00 -0.72 0.00 0.00 41.12 40.32 3ko5 n ASP 68 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3ko5 n ASN 69 N 0.79 0.00 -4.41 1.67 5.15 -1.26 -5.04 115.26 112.16 3ko5 n ASN 69 Ca 0.10 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.75 3ko5 n ASN 69 Cb 0.05 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.16 3ko5 n ASN 69 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3ko5 s LYS 70 N 0.00 2.86 0.17 1.20 1.02 0.03 -5.12 119.74 119.89 3ko5 s LYS 70 Ca 0.00 -0.71 -0.00 0.00 0.02 0.00 0.00 55.97 55.28 3ko5 s LYS 70 Cb 0.00 -2.46 -0.04 0.00 -0.52 0.00 0.00 37.83 34.81 3ko5 s LYS 70 CO 0.00 0.43 0.34 0.95 -0.92 0.00 0.00 175.35 176.15 3ko5 s THR 71 N -0.24 5.26 -1.25 2.17 -4.23 -1.26 -0.51 115.64 115.57 3ko5 s THR 71 Ca 0.01 -0.42 -0.15 0.00 -1.18 0.00 0.00 61.69 59.95 3ko5 s THR 71 Cb -0.13 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 70.00 3ko5 s THR 71 CO 0.03 -0.09 0.62 0.79 -0.54 0.00 0.00 174.62 175.43 3ko5 n TRP 72 N -0.45 -1.72 -0.01 3.99 7.02 -1.25 -4.90 117.44 120.12 3ko5 n TRP 72 Ca -0.05 0.50 -0.01 0.00 -1.02 0.00 0.00 57.50 56.92 3ko5 n TRP 72 Cb 0.53 -3.43 -0.01 0.00 -2.42 0.00 0.00 31.31 25.98 3ko5 n TRP 72 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3ko5 n ASP 73 N -2.71 4.06 -4.58 -0.99 2.03 -0.38 -4.74 116.55 109.23 3ko5 n ASP 73 Ca -0.18 -0.01 -0.33 0.00 0.52 0.00 0.00 54.79 54.80 3ko5 n ASP 73 Cb 0.62 0.11 -0.11 0.00 -0.72 0.00 0.00 41.12 41.02 3ko5 n ASP 73 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3ko5 s LYS 74 N -2.03 2.61 0.54 -0.67 -0.14 -0.62 -4.87 119.74 114.56 3ko5 s LYS 74 Ca -0.02 -0.67 0.06 0.00 -1.36 0.00 0.00 55.97 53.98 3ko5 s LYS 74 Cb 0.01 -2.52 0.10 0.00 -1.68 0.00 0.00 37.83 33.73 3ko5 s LYS 74 CO 0.04 0.62 0.74 0.27 -0.76 0.00 0.00 175.35 176.27 3ko5 n ASN 75 N 1.81 1.60 -0.14 2.83 0.23 -1.26 -1.41 115.26 118.91 3ko5 n ASN 75 Ca -0.16 -2.21 -0.02 0.00 -0.53 0.00 0.00 54.58 51.66 3ko5 n ASN 75 Cb 0.53 -0.42 0.21 0.00 -2.08 0.00 0.00 39.78 38.01 3ko5 n ASN 75 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 3ko5 h VAL 76 N -0.13 1.22 -0.10 3.53 2.07 -1.77 -2.97 116.25 118.10 3ko5 h VAL 76 Ca -0.25 -0.71 -0.07 0.00 0.82 0.00 0.00 66.70 66.49 3ko5 h VAL 76 Cb 1.06 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 3ko5 h VAL 76 CO 0.32 0.28 -0.22 0.11 0.02 0.00 0.00 177.57 178.08 3ko5 h LYS 77 N 0.84 0.34 -0.81 1.57 1.57 -1.85 0.11 116.57 118.33 3ko5 h LYS 77 Ca 0.19 -0.22 0.20 0.00 -1.87 0.00 0.00 60.65 58.95 3ko5 h LYS 77 Cb 0.20 0.03 -0.14 0.00 0.08 0.00 0.00 32.23 32.41 3ko5 h LYS 77 CO -0.01 0.82 0.09 -0.44 -0.57 0.00 0.00 179.45 179.33 3ko5 h ASP 78 N -0.10 -0.24 -0.46 0.86 3.32 -1.86 -1.41 116.42 116.54 3ko5 h ASP 78 Ca 0.00 0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3ko5 h ASP 78 Cb 0.81 0.32 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3ko5 h ASP 78 CO 0.05 -0.18 0.00 0.18 -1.72 0.00 0.00 179.24 177.57 3ko5 n LEU 79 N -5.31 3.01 -2.17 1.55 4.77 -1.16 -4.93 117.00 112.76 3ko5 n LEU 79 Ca 0.17 -1.40 -0.18 0.00 -0.03 0.00 0.00 56.01 54.56 3ko5 n LEU 79 Cb 0.56 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 3ko5 n LEU 79 CO 0.05 0.70 -0.18 -3.20 -1.33 0.00 0.00 177.39 173.43 3ko5 n ASN 80 N 1.16 -5.30 -4.62 -1.43 4.05 -0.53 -5.00 115.26 103.60 3ko5 n ASN 80 Ca 0.19 -0.07 -0.25 0.00 0.45 0.00 0.00 54.58 54.90 3ko5 n ASN 80 Cb 0.50 -4.32 0.11 0.00 1.23 0.00 0.00 39.78 37.31 3ko5 n ASN 80 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 3ko5 s TYR 81 N -2.94 1.89 0.26 1.20 2.02 0.34 -5.03 117.35 115.10 3ko5 s TYR 81 Ca 0.06 -0.01 0.09 0.00 -0.37 0.00 0.00 57.07 56.84 3ko5 s TYR 81 Cb -0.03 -3.26 -0.04 0.00 -0.40 0.00 0.00 41.96 38.23 3ko5 s TYR 81 CO 0.07 -1.81 -0.01 -1.21 -1.57 0.00 0.00 175.55 171.02 3ko5 s GLU 82 N -5.30 2.27 -0.04 -0.62 2.02 -0.73 -4.73 118.70 111.57 3ko5 s GLU 82 Ca 0.66 -1.40 0.04 0.00 0.02 0.00 0.00 54.97 54.29 3ko5 s GLU 82 Cb -0.06 -2.16 -0.00 0.00 0.10 0.00 0.00 34.13 32.01 3ko5 s GLU 82 CO 0.46 0.37 -0.17 -0.51 0.02 0.00 0.00 175.26 175.43 3ko5 s LEU 83 N -3.60 1.91 -0.24 1.80 1.02 -0.44 -0.53 118.68 118.60 3ko5 s LEU 83 Ca 0.31 -0.34 -0.05 0.00 0.02 0.00 0.00 54.13 54.07 3ko5 s LEU 83 Cb -0.07 -0.94 -0.01 0.00 0.02 0.00 0.00 46.19 45.20 3ko5 s LEU 83 CO 0.19 0.15 0.01 -0.22 0.02 0.00 0.00 176.35 176.50 3ko5 s LEU 84 N 0.05 3.22 -0.27 1.79 2.96 0.40 -0.53 118.68 126.31 3ko5 s LEU 84 Ca -0.04 -0.44 -0.08 0.00 -0.22 0.00 0.00 54.13 53.36 3ko5 s LEU 84 Cb -0.11 -1.80 -0.01 0.00 0.50 0.00 0.00 46.19 44.76 3ko5 s LEU 84 CO 0.02 -0.06 0.09 -0.63 -1.32 0.00 0.00 176.35 174.45 3ko5 s ILE 85 N 1.50 4.27 -0.12 6.68 -1.09 -0.63 -0.17 121.20 131.64 3ko5 s ILE 85 Ca 0.05 -0.36 0.03 0.00 -2.23 0.00 0.00 60.65 58.14 3ko5 s ILE 85 Cb -0.15 -3.09 0.01 0.00 -1.58 0.00 0.00 42.46 37.65 3ko5 s ILE 85 CO -0.01 0.22 -0.23 -0.69 -1.23 0.00 0.00 174.94 173.00 3ko5 s VAL 86 N 1.58 2.05 0.12 2.92 1.01 -0.15 -3.70 120.40 124.23 3ko5 s VAL 86 Ca 0.05 -1.00 -0.31 0.00 0.00 0.00 0.00 61.98 60.73 3ko5 s VAL 86 Cb -0.16 -1.80 -0.07 0.00 0.00 0.00 0.00 36.38 34.35 3ko5 s VAL 86 CO 0.04 0.55 1.30 -0.55 0.00 0.00 0.00 175.10 176.44 3ko5 s SER 87 N 0.59 6.95 -0.40 3.32 0.15 -1.26 -0.23 113.70 122.81 3ko5 s SER 87 Ca -0.13 2.22 0.02 0.00 0.70 0.00 0.00 55.95 58.77 3ko5 s SER 87 Cb -0.17 -2.59 0.15 0.00 -1.71 0.00 0.00 66.02 61.71 3ko5 s SER 87 CO 0.03 -0.55 0.28 -1.10 1.20 0.00 0.00 173.24 173.11 3ko5 s GLN 88 N 0.79 0.87 0.58 5.44 -1.52 0.50 -4.81 119.66 121.52 3ko5 s GLN 88 Ca 0.60 -1.84 0.32 0.00 -1.95 0.00 0.00 55.36 52.50 3ko5 s GLN 88 Cb -0.34 -1.56 1.80 0.00 -0.22 0.00 0.00 33.01 32.69 3ko5 s GLN 88 CO 0.32 -1.29 2.20 0.27 -0.25 0.00 0.00 175.29 176.54 3ko5 h PHE 89 N 6.29 0.00 0.00 0.91 -5.15 -1.95 -2.61 116.94 114.44 3ko5 h PHE 89 Ca 0.15 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.92 3ko5 h PHE 89 Cb 0.93 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.10 3ko5 h PHE 89 CO 0.38 0.04 0.00 1.79 -2.00 0.00 0.00 178.31 178.52 3ko5 h THR 90 N 0.00 0.00 0.00 0.88 1.35 -1.95 -1.71 112.91 111.47 3ko5 h THR 90 Ca -0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 3ko5 h THR 90 Cb 0.15 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 67.33 3ko5 h THR 90 CO 0.01 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.46 3ko5 n LEU 91 N -2.56 0.48 -1.10 3.87 4.77 -0.98 -1.02 117.00 120.46 3ko5 n LEU 91 Ca -0.01 0.63 0.08 0.00 -0.03 0.00 0.00 56.01 56.68 3ko5 n LEU 91 Cb 0.09 -0.58 0.27 0.00 -2.33 0.00 0.00 43.42 40.86 3ko5 n LEU 91 CO 0.15 -0.52 0.73 0.49 -1.33 0.00 0.00 177.39 176.91 3ko5 n PHE 92 N -2.04 0.98 -1.59 -1.77 3.72 -0.64 -4.99 117.46 111.12 3ko5 n PHE 92 Ca 0.02 -0.62 -0.52 0.00 -0.05 0.00 0.00 57.45 56.28 3ko5 n PHE 92 Cb 0.19 -0.16 -0.06 0.00 -0.94 0.00 0.00 39.48 38.50 3ko5 n PHE 92 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ko5 n GLY 93 N 0.63 0.87 3.58 1.37 0.00 -0.19 -4.51 105.19 106.93 3ko5 n GLY 93 Ca 0.20 0.92 -0.42 0.00 0.00 0.00 0.00 46.02 46.71 3ko5 n GLY 93 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ko5 s ASN 94 N 5.27 6.36 -0.18 1.61 2.47 0.12 -4.86 114.94 125.74 3ko5 s ASN 94 Ca 1.02 0.11 0.17 0.00 0.42 0.00 0.00 52.86 54.57 3ko5 s ASN 94 Cb -0.88 -2.55 0.50 0.00 -1.45 0.00 0.00 41.25 36.87 3ko5 s ASN 94 CO 0.55 -1.56 1.39 0.35 -3.72 0.00 0.00 177.10 174.11 3ko5 n THR 95 N 6.70 2.25 -0.03 -5.21 -2.24 -1.26 -3.30 114.28 111.19 3ko5 n THR 95 Ca 0.09 -1.96 -0.13 0.00 -2.27 0.00 0.00 64.05 59.77 3ko5 n THR 95 Cb 0.49 -0.26 -0.14 0.00 -2.10 0.00 0.00 70.33 68.32 3ko5 n THR 95 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3ko5 n LYS 96 N -0.65 0.68 0.00 -0.78 5.02 -1.26 -4.66 118.16 116.50 3ko5 n LYS 96 Ca 0.21 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 3ko5 n LYS 96 Cb 0.87 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 3ko5 n LYS 96 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3ko5 n LYS 97 N -3.17 0.00 0.00 1.97 3.00 -1.26 -5.02 118.16 113.68 3ko5 n LYS 97 Ca -0.25 0.34 0.00 0.00 -0.00 0.00 0.00 58.31 58.40 3ko5 n LYS 97 Cb 1.06 -1.11 0.00 0.00 0.00 0.00 0.00 35.03 34.98 3ko5 n LYS 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ko5 n GLY 98 N 0.54 5.41 0.00 3.14 0.00 -1.26 -5.05 105.19 107.96 3ko5 n GLY 98 Ca 0.00 -1.30 0.08 0.00 0.00 0.00 0.00 46.02 44.81 3ko5 n GLY 98 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ko5 n ASN 99 N 0.00 0.83 -4.54 1.61 3.02 -1.26 -4.82 115.26 110.10 3ko5 n ASN 99 Ca 0.00 -0.81 -0.42 0.00 -0.03 0.00 0.00 54.58 53.32 3ko5 n ASN 99 Cb 0.00 1.09 -0.07 0.00 -0.61 0.00 0.00 39.78 40.19 3ko5 n ASN 99 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3ko5 s LYS 100 N -2.71 3.51 0.46 3.52 2.20 -1.26 -5.06 119.74 120.39 3ko5 s LYS 100 Ca 0.05 -0.21 -0.22 0.00 -0.36 0.00 0.00 55.97 55.24 3ko5 s LYS 100 Cb 0.13 -3.86 -0.08 0.00 -1.51 0.00 0.00 37.83 32.51 3ko5 s LYS 100 CO 0.72 -0.78 1.06 -1.25 -0.36 0.00 0.00 175.35 174.74 3ko5 s PRO 101 N 2.57 3.89 0.27 4.03 0.04 -1.26 -4.92 135.00 139.62 3ko5 s PRO 101 Ca 0.21 1.47 0.11 0.00 0.04 0.00 0.00 61.00 62.82 3ko5 s PRO 101 Cb -0.15 -2.27 -0.05 0.00 0.04 0.00 0.00 34.50 32.07 3ko5 s PRO 101 CO 0.15 -0.37 -0.17 0.16 0.04 0.00 0.00 177.00 176.81 3ko5 s ASP 102 N -1.77 3.36 -0.27 6.66 1.47 -1.21 -4.92 116.67 119.99 3ko5 s ASP 102 Ca 0.64 -1.06 0.16 0.00 1.18 0.00 0.00 52.55 53.48 3ko5 s ASP 102 Cb -0.20 -0.27 0.49 0.00 -0.34 0.00 0.00 42.92 42.60 3ko5 s ASP 102 CO 0.24 -0.05 1.14 0.49 0.68 0.00 0.00 175.17 177.67 3ko5 n PHE 103 N -0.59 1.87 0.36 2.11 3.72 -1.26 0.16 117.46 123.83 3ko5 n PHE 103 Ca -0.06 -2.19 0.14 0.00 -0.05 0.00 0.00 57.45 55.30 3ko5 n PHE 103 Cb 0.61 -0.27 0.53 0.00 -0.94 0.00 0.00 39.48 39.40 3ko5 n PHE 103 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3ko5 h HIS 104 N 2.44 0.00 0.00 1.38 3.86 -1.97 -2.86 115.15 118.01 3ko5 h HIS 104 Ca 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 3ko5 h HIS 104 Cb 1.37 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.84 3ko5 h HIS 104 CO 0.64 0.00 -0.27 1.25 0.86 0.00 0.00 177.93 180.41 3ko5 h LEU 105 N 0.00 0.00 -9.96 2.43 5.85 -1.89 -3.46 115.31 108.28 3ko5 h LEU 105 Ca 0.00 -0.08 -0.48 0.00 0.84 0.00 0.00 57.88 58.15 3ko5 h LEU 105 Cb 0.52 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.57 3ko5 h LEU 105 CO 0.00 0.04 0.41 0.00 -0.34 0.00 0.00 178.44 178.56 3ko5 s ALA 106 N -3.14 3.09 0.28 1.25 0.00 -1.08 -1.70 121.76 120.45 3ko5 s ALA 106 Ca 0.08 0.71 -0.30 0.00 0.00 0.00 0.00 51.96 52.45 3ko5 s ALA 106 Cb 0.12 -3.28 -0.11 0.00 0.00 0.00 0.00 23.12 19.86 3ko5 s ALA 106 CO 0.65 -0.23 1.55 0.21 0.00 0.00 0.00 175.76 177.95 3ko5 s LYS 107 N -2.50 4.16 0.28 0.00 2.20 0.12 -4.38 119.74 119.63 3ko5 s LYS 107 Ca 0.58 2.50 -0.29 0.00 -0.36 0.00 0.00 55.97 58.39 3ko5 s LYS 107 Cb -0.22 -3.05 -0.13 0.00 -1.51 0.00 0.00 37.83 32.92 3ko5 s LYS 107 CO 0.28 -0.57 1.27 -1.91 -0.36 0.00 0.00 175.35 174.05 3ko5 n GLU 108 N 2.26 1.88 -0.33 4.03 0.00 -1.26 -4.59 120.64 122.64 3ko5 n GLU 108 Ca 0.08 0.66 0.27 0.00 0.00 0.00 0.00 57.16 58.17 3ko5 n GLU 108 Cb 0.38 -2.22 0.58 0.00 0.00 0.00 0.00 31.44 30.18 3ko5 n GLU 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.13 175.78 3ko5 h PRO 109 N 3.07 0.26 -0.00 5.31 0.11 -1.98 0.06 132.00 138.84 3ko5 h PRO 109 Ca -0.44 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 3ko5 h PRO 109 Cb 1.30 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 3ko5 h PRO 109 CO 0.67 0.17 -0.01 -0.91 -0.21 0.00 0.00 178.00 177.72 3ko5 h ASN 110 N 0.27 0.01 1.24 -2.05 2.35 -2.00 -1.49 115.58 113.91 3ko5 h ASN 110 Ca 0.60 -0.51 -0.06 0.00 -0.55 0.00 0.00 56.30 55.78 3ko5 h ASN 110 Cb 1.75 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.11 3ko5 h ASN 110 CO -0.23 0.52 -0.29 -0.33 -1.65 0.00 0.00 177.43 175.45 3ko5 h GLU 111 N -0.49 0.00 -0.19 0.81 5.08 -1.82 -2.98 114.58 114.99 3ko5 h GLU 111 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3ko5 h GLU 111 Cb 0.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 3ko5 h GLU 111 CO 0.00 0.29 -0.00 0.00 -1.00 0.00 0.00 179.01 178.30 3ko5 h ALA 112 N 1.71 0.25 -0.29 3.43 0.00 -1.00 -2.37 119.26 120.99 3ko5 h ALA 112 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3ko5 h ALA 112 Cb 0.99 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3ko5 h ALA 112 CO 0.04 -0.03 0.19 1.25 0.00 0.00 0.00 179.25 180.69 3ko5 h LEU 113 N 0.08 0.32 -0.16 0.00 5.85 -1.20 0.20 115.31 120.40 3ko5 h LEU 113 Ca 0.05 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3ko5 h LEU 113 Cb 0.40 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 3ko5 h LEU 113 CO 0.01 0.23 0.10 0.40 -0.34 0.00 0.00 178.44 178.84 3ko5 h ILE 114 N 0.38 1.03 -0.16 4.05 2.04 -1.59 0.19 117.51 123.45 3ko5 h ILE 114 Ca 0.11 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.92 3ko5 h ILE 114 Cb -0.04 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 3ko5 h ILE 114 CO -0.03 0.04 0.04 0.15 0.00 0.00 0.00 178.15 178.34 3ko5 h PHE 115 N 0.20 0.06 -0.24 1.37 3.04 -1.22 -1.36 116.94 118.79 3ko5 h PHE 115 Ca 0.06 0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.07 3ko5 h PHE 115 Cb -0.01 -0.00 -0.05 0.00 2.56 0.00 0.00 35.95 38.44 3ko5 h PHE 115 CO -0.07 0.03 -0.08 -0.92 -2.02 0.00 0.00 178.31 175.24 3ko5 h TYR 116 N 0.11 -0.18 -0.94 0.41 5.03 -0.31 -0.96 116.97 120.12 3ko5 h TYR 116 Ca 0.07 0.02 0.07 0.00 2.58 0.00 0.00 58.73 61.47 3ko5 h TYR 116 Cb 0.06 0.11 -0.06 0.00 1.55 0.00 0.00 36.73 38.39 3ko5 h TYR 116 CO -0.13 -0.13 0.61 -0.91 -1.32 0.00 0.00 178.16 176.29 3ko5 h ASN 117 N -0.03 0.96 -0.57 -2.11 2.35 -0.35 -0.88 115.58 114.95 3ko5 h ASN 117 Ca 0.12 0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.79 3ko5 h ASN 117 Cb 0.21 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 3ko5 h ASN 117 CO -0.26 0.61 0.03 0.11 -1.65 0.00 0.00 177.43 176.27 3ko5 h LYS 118 N 1.09 1.01 -0.31 0.81 1.57 -0.77 -2.31 116.57 117.66 3ko5 h LYS 118 Ca 0.41 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3ko5 h LYS 118 Cb 0.19 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3ko5 h LYS 118 CO -0.16 0.97 0.20 0.82 -0.57 0.00 0.00 179.45 180.71 3ko5 h ILE 119 N 0.93 1.09 -0.78 1.86 2.04 -0.19 -2.08 117.51 120.39 3ko5 h ILE 119 Ca 0.17 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 3ko5 h ILE 119 Cb 0.50 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 3ko5 h ILE 119 CO 0.02 0.09 0.47 0.40 0.00 0.00 0.00 178.15 179.13 3ko5 h ILE 120 N 0.41 1.22 -0.47 -0.67 1.08 -1.07 0.97 117.51 118.97 3ko5 h ILE 120 Ca 0.11 -0.48 0.05 0.00 -0.39 0.00 0.00 64.86 64.15 3ko5 h ILE 120 Cb -0.03 0.13 -0.04 0.00 -3.07 0.00 0.00 36.82 33.80 3ko5 h ILE 120 CO -0.02 0.23 0.22 0.44 -0.69 0.00 0.00 178.15 178.32 3ko5 h ASP 121 N 1.07 0.30 -0.20 1.72 3.32 -1.26 -1.40 116.42 119.96 3ko5 h ASP 121 Ca 0.28 0.03 -0.18 0.00 0.02 0.00 0.00 57.03 57.19 3ko5 h ASP 121 Cb -0.04 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 3ko5 h ASP 121 CO -0.05 0.21 -0.54 -0.08 -1.72 0.00 0.00 179.24 177.06 3ko5 h GLU 122 N 0.43 0.79 -0.39 3.56 4.57 -0.82 0.15 114.58 122.87 3ko5 h GLU 122 Ca 0.21 -0.49 0.08 0.00 -1.18 0.00 0.00 59.36 57.98 3ko5 h GLU 122 Cb 0.15 0.06 -0.08 0.00 -0.16 0.00 0.00 28.75 28.71 3ko5 h GLU 122 CO -0.17 1.12 -0.17 0.74 -1.18 0.00 0.00 179.01 179.36 3ko5 h PHE 123 N 0.61 -0.41 -0.59 0.92 0.04 -0.68 0.15 116.94 116.98 3ko5 h PHE 123 Ca 0.01 0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.78 3ko5 h PHE 123 Cb 1.13 0.24 -0.03 0.00 2.20 0.00 0.00 35.95 39.49 3ko5 h PHE 123 CO 0.06 -0.25 0.20 0.87 -0.60 0.00 0.00 178.31 178.59 3ko5 h LYS 124 N -0.09 0.88 -0.46 1.51 1.57 -0.96 -1.24 116.57 117.78 3ko5 h LYS 124 Ca 0.19 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 3ko5 h LYS 124 Cb 0.39 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3ko5 h LYS 124 CO -0.45 0.75 0.01 -0.22 -0.57 0.00 0.00 179.45 178.96 3ko5 h LYS 125 N 0.85 0.80 0.00 3.15 3.64 -0.36 -3.14 116.57 121.51 3ko5 h LYS 125 Ca 0.20 -0.25 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 3ko5 h LYS 125 Cb 0.23 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3ko5 h LYS 125 CO -0.01 0.85 -0.36 1.96 -2.27 0.00 0.00 179.45 179.62 3ko5 h GLN 126 N 0.65 0.00 0.00 1.90 4.20 -0.52 -3.45 115.11 117.89 3ko5 h GLN 126 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 3ko5 h GLN 126 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 3ko5 h GLN 126 CO 0.02 0.36 0.00 0.98 -0.67 0.00 0.00 178.83 179.52 3ko5 n TYR 127 N -3.21 0.00 -3.76 2.96 9.36 -0.49 -5.09 117.16 116.93 3ko5 n TYR 127 Ca 0.02 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.12 3ko5 n TYR 127 Cb 0.66 0.00 -0.11 0.00 -0.63 0.00 0.00 39.34 39.26 3ko5 n TYR 127 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3ko5 s ASN 128 N 0.78 -0.32 0.30 2.98 3.84 -1.19 -5.00 114.94 116.34 3ko5 s ASN 128 Ca 0.00 0.62 0.26 0.00 0.21 0.00 0.00 52.86 53.94 3ko5 s ASN 128 Cb 0.00 0.60 0.97 0.00 -0.55 0.00 0.00 41.25 42.28 3ko5 s ASN 128 CO 0.00 -0.12 1.76 -2.24 -2.79 0.00 0.00 177.10 173.72 3ko5 h ASP 129 N 5.93 0.00 1.46 -4.21 3.04 -1.90 -2.69 116.42 118.04 3ko5 h ASP 129 Ca -0.28 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.51 3ko5 h ASP 129 Cb 1.19 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.48 3ko5 h ASP 129 CO 0.32 0.00 -0.41 -0.78 -2.04 0.00 0.00 179.24 176.34 3ko5 h ASP 130 N 0.00 0.00 0.01 4.15 3.58 -1.96 -3.35 116.42 118.84 3ko5 h ASP 130 Ca 0.00 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.42 3ko5 h ASP 130 Cb 0.50 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.55 3ko5 h ASP 130 CO 0.00 0.02 -0.08 0.29 -2.88 0.00 0.00 179.24 176.58 3ko5 n LYS 131 N -2.72 1.79 -3.71 0.28 4.76 -1.01 -4.77 118.16 112.78 3ko5 n LYS 131 Ca 0.03 -1.31 -0.38 0.00 -2.87 0.00 0.00 58.31 53.78 3ko5 n LYS 131 Cb 0.51 -1.47 -0.11 0.00 -1.84 0.00 0.00 35.03 32.12 3ko5 n LYS 131 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3ko5 s ILE 132 N -2.11 3.70 0.23 -0.18 -1.09 -1.25 -1.32 121.20 119.18 3ko5 s ILE 132 Ca 0.30 -1.63 0.02 0.00 -2.23 0.00 0.00 60.65 57.11 3ko5 s ILE 132 Cb 0.20 -3.34 -0.03 0.00 -1.58 0.00 0.00 42.46 37.71 3ko5 s ILE 132 CO 0.37 -0.51 0.38 -0.54 -1.23 0.00 0.00 174.94 173.41 3ko5 s LYS 133 N 1.30 3.47 0.22 2.79 -0.14 0.31 -5.02 119.74 122.67 3ko5 s LYS 133 Ca 0.04 -0.55 0.00 0.00 -1.36 0.00 0.00 55.97 54.10 3ko5 s LYS 133 Cb -0.22 -2.86 -0.05 0.00 -1.68 0.00 0.00 37.83 33.02 3ko5 s LYS 133 CO -0.01 0.40 0.09 0.96 -0.76 0.00 0.00 175.35 176.03 3ko5 s ILE 134 N -1.95 0.37 0.00 2.17 -4.36 -1.26 -1.60 121.20 114.57 3ko5 s ILE 134 Ca 0.36 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.76 3ko5 s ILE 134 Cb -0.10 -2.49 0.00 0.00 1.25 0.00 0.00 42.46 41.12 3ko5 s ILE 134 CO 0.30 -0.09 0.00 0.61 0.24 0.00 0.00 174.94 176.00 3ko5 n GLY 135 N -0.35 1.88 3.08 6.27 0.00 -1.24 -4.69 105.19 110.13 3ko5 n GLY 135 Ca -0.01 -1.93 -0.34 0.00 0.00 0.00 0.00 46.02 43.74 3ko5 n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ko5 s LYS 136 N 3.63 1.88 0.11 1.61 -0.14 -1.26 -5.07 119.74 120.50 3ko5 s LYS 136 Ca 0.00 -1.90 -0.36 0.00 -1.36 0.00 0.00 55.97 52.35 3ko5 s LYS 136 Cb 0.00 -3.47 -0.16 0.00 -1.68 0.00 0.00 37.83 32.51 3ko5 s LYS 136 CO 0.00 -1.04 1.33 0.34 -0.76 0.00 0.00 175.35 175.22 3ko5 n PHE 137 N 4.39 1.55 0.00 3.18 7.35 -1.26 -1.34 117.46 131.33 3ko5 n PHE 137 Ca 0.00 0.61 0.00 0.00 -0.76 0.00 0.00 57.45 57.30 3ko5 n PHE 137 Cb 0.41 -2.34 0.00 0.00 0.35 0.00 0.00 39.48 37.90 3ko5 n PHE 137 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3ko5 n GLY 138 N 2.50 1.89 3.80 7.13 0.00 -1.26 -5.00 105.19 114.25 3ko5 n GLY 138 Ca 0.18 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 3ko5 n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ko5 s ASN 139 N 0.08 5.85 0.22 1.61 0.01 -0.45 -5.00 114.94 117.25 3ko5 s ASN 139 Ca 0.00 1.86 -0.31 0.00 -0.71 0.00 0.00 52.86 53.71 3ko5 s ASN 139 Cb 0.00 -2.54 -0.10 0.00 0.41 0.00 0.00 41.25 39.02 3ko5 s ASN 139 CO 0.00 -1.12 1.48 -0.47 -1.51 0.00 0.00 177.10 175.48 3ko5 s TYR 140 N -2.33 3.04 -0.01 2.20 5.04 -1.26 -4.86 117.35 119.16 3ko5 s TYR 140 Ca 0.65 0.90 0.04 0.00 -2.44 0.00 0.00 57.07 56.22 3ko5 s TYR 140 Cb -0.17 -3.84 -0.01 0.00 0.35 0.00 0.00 41.96 38.29 3ko5 s TYR 140 CO 0.34 -2.87 -0.13 -1.64 -1.34 0.00 0.00 175.55 169.90 3ko5 s MET 141 N 0.16 1.09 -0.26 4.97 -1.94 -1.26 -4.35 119.30 117.71 3ko5 s MET 141 Ca 0.63 -0.46 -0.08 0.00 -1.71 0.00 0.00 55.69 54.07 3ko5 s MET 141 Cb -0.42 -1.04 -0.03 0.00 2.01 0.00 0.00 34.83 35.35 3ko5 s MET 141 CO 0.39 0.26 0.11 1.21 -0.01 0.00 0.00 175.02 176.98 3ko5 s ASN 142 N -0.23 5.40 -0.24 3.03 2.47 0.26 -4.97 114.94 120.66 3ko5 s ASN 142 Ca 0.04 -0.18 0.01 0.00 0.42 0.00 0.00 52.86 53.15 3ko5 s ASN 142 Cb -0.06 -1.98 0.06 0.00 -1.45 0.00 0.00 41.25 37.82 3ko5 s ASN 142 CO -0.00 -0.05 -0.06 -0.63 -3.72 0.00 0.00 177.10 172.64 3ko5 s ILE 143 N 1.65 1.65 -0.51 -5.21 1.01 -1.26 0.46 121.20 119.00 3ko5 s ILE 143 Ca 0.06 -1.31 -0.27 0.00 0.00 0.00 0.00 60.65 59.14 3ko5 s ILE 143 Cb -0.15 -1.89 0.03 0.00 0.01 0.00 0.00 42.46 40.46 3ko5 s ILE 143 CO 0.06 -0.10 1.06 -1.81 0.00 0.00 0.00 174.94 174.15 3ko5 s ASP 144 N 1.34 6.51 -0.19 3.58 1.01 -0.13 -4.92 116.67 123.86 3ko5 s ASP 144 Ca -0.06 0.17 -0.05 0.00 0.71 0.00 0.00 52.55 53.31 3ko5 s ASP 144 Cb -0.19 -2.50 -0.03 0.00 1.01 0.00 0.00 42.92 41.21 3ko5 s ASP 144 CO -0.06 -1.24 0.01 -0.69 0.21 0.00 0.00 175.17 173.40 3ko5 s VAL 145 N 4.28 4.11 -0.73 -1.27 1.01 -1.26 -0.97 120.40 125.57 3ko5 s VAL 145 Ca 0.41 -0.27 -0.19 0.00 0.00 0.00 0.00 61.98 61.94 3ko5 s VAL 145 Cb -0.09 -2.85 0.12 0.00 0.00 0.00 0.00 36.38 33.57 3ko5 s VAL 145 CO 0.27 0.44 0.87 -0.89 0.00 0.00 0.00 175.10 175.79 3ko5 s THR 146 N 0.80 4.84 0.02 3.92 2.01 0.31 -5.01 115.64 122.52 3ko5 s THR 146 Ca 0.01 -1.28 -0.30 0.00 0.31 0.00 0.00 61.69 60.43 3ko5 s THR 146 Cb -0.14 -4.59 -0.06 0.00 0.01 0.00 0.00 72.50 67.72 3ko5 s THR 146 CO 0.02 -1.27 1.40 0.20 -0.69 0.00 0.00 174.62 174.28 3ko5 s ASN 147 N 3.43 6.85 -0.71 3.53 0.01 -1.26 -0.04 114.94 126.75 3ko5 s ASN 147 Ca 0.20 2.15 -0.12 0.00 -0.71 0.00 0.00 52.86 54.38 3ko5 s ASN 147 Cb -0.16 -2.56 0.18 0.00 0.41 0.00 0.00 41.25 39.12 3ko5 s ASN 147 CO 0.00 -0.70 0.62 -0.62 -1.51 0.00 0.00 177.10 174.89 3ko5 s ASP 148 N 1.76 6.28 0.00 -1.22 2.15 0.14 -4.67 116.67 121.11 3ko5 s ASP 148 Ca 0.64 -2.49 0.00 0.00 0.43 0.00 0.00 52.55 51.13 3ko5 s ASP 148 Cb -0.32 -2.12 0.00 0.00 -0.30 0.00 0.00 42.92 40.17 3ko5 s ASP 148 CO 0.27 -0.60 0.00 0.61 -0.17 0.00 0.00 175.17 175.29 3ko5 n GLY 149 N 4.19 2.27 3.80 2.66 0.00 -1.26 -3.31 105.19 113.54 3ko5 n GLY 149 Ca 0.06 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.30 3ko5 n GLY 149 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ko5 s PRO 150 N 0.00 2.85 -0.20 1.61 0.04 -1.26 -5.16 135.00 132.88 3ko5 s PRO 150 Ca 0.00 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.14 3ko5 s PRO 150 Cb 0.00 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.61 3ko5 s PRO 150 CO 0.00 -1.17 -0.07 0.08 0.04 0.00 0.00 177.00 175.87 3ko5 s VAL 151 N -2.82 1.47 -0.15 -0.36 1.01 -1.21 -5.04 120.40 113.30 3ko5 s VAL 151 Ca 0.61 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.62 3ko5 s VAL 151 Cb -0.16 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.60 3ko5 s VAL 151 CO 0.50 0.07 -0.20 -0.89 0.00 0.00 0.00 175.10 174.58 3ko5 s THR 152 N 1.45 1.98 -0.06 3.92 2.01 -1.26 -1.51 115.64 122.17 3ko5 s THR 152 Ca -0.02 -0.91 0.04 0.00 0.31 0.00 0.00 61.69 61.11 3ko5 s THR 152 Cb -0.17 -1.77 -0.02 0.00 0.01 0.00 0.00 72.50 70.55 3ko5 s THR 152 CO -0.07 0.53 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.58 3ko5 s ILE 153 N 1.05 2.69 -0.07 1.82 -1.09 0.61 -4.97 121.20 121.24 3ko5 s ILE 153 Ca -0.02 -0.85 0.05 0.00 -2.23 0.00 0.00 60.65 57.61 3ko5 s ILE 153 Cb -0.14 -2.04 -0.01 0.00 -1.58 0.00 0.00 42.46 38.69 3ko5 s ILE 153 CO -0.07 0.57 -0.24 -0.47 -1.23 0.00 0.00 174.94 173.50 3ko5 s TYR 154 N -0.41 2.48 -0.04 3.97 6.14 -1.26 -0.24 117.35 127.99 3ko5 s TYR 154 Ca 0.04 -0.81 0.02 0.00 0.64 0.00 0.00 57.07 56.96 3ko5 s TYR 154 Cb -0.12 -1.64 0.02 0.00 0.42 0.00 0.00 41.96 40.64 3ko5 s TYR 154 CO 0.02 -0.27 -0.07 0.42 0.64 0.00 0.00 175.55 176.29 3ko5 s ILE 155 N -0.02 0.68 -0.14 3.14 1.01 -0.71 -5.02 121.20 120.15 3ko5 s ILE 155 Ca -0.08 -0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.36 3ko5 s ILE 155 Cb -0.15 -0.65 0.01 0.00 0.01 0.00 0.00 42.46 41.68 3ko5 s ILE 155 CO 0.05 0.24 -0.20 -0.62 0.00 0.00 0.00 174.94 174.41 3ko5 s ASP 156 N 0.66 2.99 0.52 3.58 -1.08 -1.26 -0.84 116.67 121.23 3ko5 s ASP 156 Ca -0.10 -0.57 0.31 0.00 -0.52 0.00 0.00 52.55 51.66 3ko5 s ASP 156 Cb -0.13 -1.38 1.07 0.00 -1.46 0.00 0.00 42.92 41.02 3ko5 s ASP 156 CO 0.01 0.06 1.88 0.71 0.52 0.00 0.00 175.17 178.34 3ko5 h THR 157 N 5.86 0.01 0.00 1.71 1.35 -1.49 -2.75 112.91 117.60 3ko5 h THR 157 Ca -0.34 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 3ko5 h THR 157 Cb 1.18 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 3ko5 h THR 157 CO 0.55 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 177.23 3ko5 n HIS 158 N -3.10 0.00 0.14 4.73 8.25 -1.26 -1.17 115.22 122.82 3ko5 n HIS 158 Ca 0.02 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.58 3ko5 n HIS 158 Cb 0.37 -0.01 0.27 0.00 1.12 0.00 0.00 29.99 31.74 3ko5 n HIS 158 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3ko5 n ASP 159 N -1.01 3.26 0.00 0.41 8.00 -1.04 -5.16 116.55 121.00 3ko5 n ASP 159 Ca 0.20 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.72 3ko5 n ASP 159 Cb 0.10 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.83 3ko5 n ASP 159 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43