#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 2.82 -0.04 2.12 0.52 0.24 -0.85 118.95 123.76 3ko3 s ARG 2 Ca 0.00 -0.74 0.04 0.00 -0.52 0.00 0.00 55.73 54.51 3ko3 s ARG 2 Cb 0.00 -2.41 -0.00 0.00 0.52 0.00 0.00 34.95 33.05 3ko3 s ARG 2 CO 0.00 0.42 -0.17 0.54 0.02 0.00 0.00 175.30 176.11 3ko3 s VAL 3 N -0.21 1.46 -0.33 3.52 0.11 0.78 -0.68 120.40 125.05 3ko3 s VAL 3 Ca -0.00 -0.73 -0.06 0.00 -2.93 0.00 0.00 61.98 58.26 3ko3 s VAL 3 Cb -0.13 -1.25 0.04 0.00 -1.53 0.00 0.00 36.38 33.51 3ko3 s VAL 3 CO 0.03 0.42 0.09 -0.69 -3.33 0.00 0.00 175.10 171.62 3ko3 s VAL 4 N 0.04 3.67 -0.22 2.04 1.01 -0.79 -1.64 120.40 124.50 3ko3 s VAL 4 Ca -0.04 -1.14 -0.09 0.00 0.00 0.00 0.00 61.98 60.72 3ko3 s VAL 4 Cb -0.12 -3.07 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 3ko3 s VAL 4 CO 0.02 -0.15 0.10 -0.63 0.00 0.00 0.00 175.10 174.45 3ko3 s ILE 5 N 1.39 4.94 -0.06 2.22 1.01 -0.28 -1.20 121.20 129.21 3ko3 s ILE 5 Ca -0.02 0.03 0.06 0.00 0.00 0.00 0.00 60.65 60.72 3ko3 s ILE 5 Cb -0.19 -3.27 -0.01 0.00 0.01 0.00 0.00 42.46 38.99 3ko3 s ILE 5 CO 0.02 0.39 -0.25 -1.10 0.00 0.00 0.00 174.94 174.00 3ko3 s GLN 6 N 0.88 2.59 -0.18 2.79 -0.21 -0.22 -0.41 119.66 124.90 3ko3 s GLN 6 Ca 0.05 -0.90 -0.24 0.00 0.02 0.00 0.00 55.36 54.29 3ko3 s GLN 6 Cb -0.13 -2.17 -0.02 0.00 1.00 0.00 0.00 33.01 31.69 3ko3 s GLN 6 CO 0.03 0.36 0.77 0.50 -2.12 0.00 0.00 175.29 174.83 3ko3 s ARG 7 N -0.12 4.26 0.02 2.91 3.52 -0.78 -1.53 118.95 127.23 3ko3 s ARG 7 Ca -0.05 0.88 0.05 0.00 -0.13 0.00 0.00 55.73 56.48 3ko3 s ARG 7 Cb -0.14 -3.58 -0.02 0.00 -1.56 0.00 0.00 34.95 29.65 3ko3 s ARG 7 CO 0.04 -0.31 -0.15 0.14 -0.81 0.00 0.00 175.30 174.21 3ko3 s VAL 8 N 2.12 1.15 -0.24 7.11 -7.23 -0.27 -0.76 120.40 122.28 3ko3 s VAL 8 Ca 0.35 -0.87 0.28 0.00 -1.81 0.00 0.00 61.98 59.93 3ko3 s VAL 8 Cb -0.16 -1.01 0.35 0.00 0.56 0.00 0.00 36.38 36.11 3ko3 s VAL 8 CO 0.11 0.13 1.80 0.11 -0.31 0.00 0.00 175.10 176.94 3ko3 h LYS 9 N 5.23 0.00 0.00 4.82 1.79 -1.16 0.10 116.57 127.35 3ko3 h LYS 9 Ca -0.37 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.10 3ko3 h LYS 9 Cb 1.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 3ko3 h LYS 9 CO 0.46 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 179.24 3ko3 n GLY 10 N 0.54 1.68 3.43 3.86 0.00 -1.20 -2.49 105.19 111.01 3ko3 n GLY 10 Ca 0.02 -0.80 -0.07 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.46 -0.14 4.61 0.00 -0.88 -1.32 121.76 120.57 3ko3 s ALA 11 Ca 0.00 1.89 -0.01 0.00 0.00 0.00 0.00 51.96 53.84 3ko3 s ALA 11 Cb 0.00 -1.31 -0.02 0.00 0.00 0.00 0.00 23.12 21.79 3ko3 s ALA 11 CO 0.00 -0.54 -0.10 0.42 0.00 0.00 0.00 175.76 175.55 3ko3 s ILE 12 N 2.04 3.36 -0.05 0.00 1.01 0.14 -0.82 121.20 126.88 3ko3 s ILE 12 Ca -0.07 -0.55 0.06 0.00 0.00 0.00 0.00 60.65 60.09 3ko3 s ILE 12 Cb -0.09 -2.44 -0.02 0.00 0.01 0.00 0.00 42.46 39.92 3ko3 s ILE 12 CO -0.16 0.51 -0.21 -0.22 0.00 0.00 0.00 174.94 174.86 3ko3 s LEU 13 N 0.35 2.31 0.07 2.97 0.20 0.82 -0.44 118.68 124.96 3ko3 s LEU 13 Ca -0.08 -0.39 0.05 0.00 0.69 0.00 0.00 54.13 54.40 3ko3 s LEU 13 Cb -0.15 -1.43 -0.03 0.00 -0.43 0.00 0.00 46.19 44.15 3ko3 s LEU 13 CO 0.05 0.30 -0.15 -0.44 -0.29 0.00 0.00 176.35 175.82 3ko3 s SER 14 N -0.47 1.76 0.34 3.68 0.01 0.20 -1.94 113.70 117.28 3ko3 s SER 14 Ca 0.06 -0.61 0.03 0.00 1.31 0.00 0.00 55.95 56.74 3ko3 s SER 14 Cb -0.12 -0.06 -0.05 0.00 0.21 0.00 0.00 66.02 66.00 3ko3 s SER 14 CO 0.01 -0.05 0.09 0.68 0.41 0.00 0.00 173.24 174.38 3ko3 s VAL 15 N -1.22 0.89 -0.52 3.43 -7.23 -1.09 -1.45 120.40 113.21 3ko3 s VAL 15 Ca -0.01 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 57.95 3ko3 s VAL 15 Cb -0.10 -2.63 0.05 0.00 0.56 0.00 0.00 36.38 34.26 3ko3 s VAL 15 CO 0.02 0.00 0.74 -0.13 -0.31 0.00 0.00 175.10 175.42 3ko3 s ARG 16 N -3.86 3.20 0.33 4.82 0.52 -1.26 -0.74 118.95 121.96 3ko3 s ARG 16 Ca 0.33 -0.65 0.06 0.00 -0.52 0.00 0.00 55.73 54.95 3ko3 s ARG 16 Cb 0.07 -4.08 0.72 0.00 0.52 0.00 0.00 34.95 32.18 3ko3 s ARG 16 CO 0.15 -1.31 1.86 1.57 0.02 0.00 0.00 175.30 177.60 3ko3 h LYS 17 N 9.10 0.78 0.00 3.54 2.10 -1.92 -3.47 116.57 126.71 3ko3 h LYS 17 Ca -0.27 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.33 3ko3 h LYS 17 Cb 1.09 -0.18 0.00 0.00 -0.90 0.00 0.00 32.23 32.24 3ko3 h LYS 17 CO 1.01 0.52 0.00 1.17 -2.00 0.00 0.00 179.45 180.14 3ko3 n LYS 25 N -4.58 0.00 -3.15 0.07 0.00 -1.26 -5.06 118.16 104.19 3ko3 n LYS 25 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 58.31 58.38 3ko3 n LYS 25 Cb 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.41 3ko3 n LYS 25 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3ko3 n GLU 26 N -0.11 0.29 -2.88 1.64 4.71 -1.26 -5.17 120.64 117.86 3ko3 n GLU 26 Ca 0.00 -1.79 -0.32 0.00 -0.01 0.00 0.00 57.16 55.04 3ko3 n GLU 26 Cb 0.00 1.55 -0.06 0.00 -1.01 0.00 0.00 31.44 31.92 3ko3 n GLU 26 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 3ko3 s LEU 27 N 0.00 3.93 -0.18 -4.62 1.43 -1.26 -4.35 118.68 113.63 3ko3 s LEU 27 Ca 0.20 1.48 -0.10 0.00 -1.03 0.00 0.00 54.13 54.69 3ko3 s LEU 27 Cb 0.01 -4.33 0.06 0.00 0.03 0.00 0.00 46.19 41.96 3ko3 s LEU 27 CO 0.15 -0.34 0.44 -1.83 0.23 0.00 0.00 176.35 175.00 3ko3 s GLU 28 N -3.29 0.42 0.19 1.70 -1.05 0.08 -4.87 118.70 111.88 3ko3 s GLU 28 Ca 0.58 0.85 -0.32 0.00 -0.15 0.00 0.00 54.97 55.93 3ko3 s GLU 28 Cb -0.10 0.02 -0.11 0.00 -0.44 0.00 0.00 34.13 33.50 3ko3 s GLU 28 CO 0.19 -0.16 1.66 0.42 0.95 0.00 0.00 175.26 178.31 3ko3 s ILE 29 N 1.50 2.28 0.00 1.83 1.01 -1.26 -2.65 121.20 123.91 3ko3 s ILE 29 Ca -0.09 0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.76 3ko3 s ILE 29 Cb -0.08 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.26 3ko3 s ILE 29 CO -0.14 0.02 0.41 2.30 0.00 0.00 0.00 174.94 177.53 3ko3 n ILE 30 N 3.98 0.17 -3.65 2.92 -5.35 -0.82 -4.96 119.36 111.65 3ko3 n ILE 30 Ca 0.15 -0.27 -0.03 0.00 -0.27 0.00 0.00 62.75 62.32 3ko3 n ILE 30 Cb 0.37 1.27 -0.07 0.00 -1.74 0.00 0.00 39.64 39.46 3ko3 n ILE 30 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3ko3 s SER 31 N -0.17 -0.19 -0.27 7.28 0.15 -1.23 -5.02 113.70 114.25 3ko3 s SER 31 Ca 0.00 0.34 -0.21 0.00 0.70 0.00 0.00 55.95 56.78 3ko3 s SER 31 Cb 0.00 0.56 0.07 0.00 -1.71 0.00 0.00 66.02 64.94 3ko3 s SER 31 CO 0.00 -0.06 0.71 -0.70 1.20 0.00 0.00 173.24 174.40 3ko3 s GLU 32 N 0.40 0.78 0.28 5.44 2.12 -1.26 -0.13 118.70 126.33 3ko3 s GLU 32 Ca 0.02 1.08 0.08 0.00 0.36 0.00 0.00 54.97 56.51 3ko3 s GLU 32 Cb -0.04 0.30 -0.06 0.00 0.26 0.00 0.00 34.13 34.59 3ko3 s GLU 32 CO -0.12 -0.12 -0.10 0.96 -0.54 0.00 0.00 175.26 175.34 3ko3 s ILE 33 N 0.87 1.91 0.00 -3.70 -4.36 -0.00 -4.99 121.20 110.92 3ko3 s ILE 33 Ca -0.04 -2.20 0.00 0.00 -0.26 0.00 0.00 60.65 58.15 3ko3 s ILE 33 Cb -0.05 -2.41 0.00 0.00 1.25 0.00 0.00 42.46 41.25 3ko3 s ILE 33 CO -0.07 -0.34 0.00 0.29 0.24 0.00 0.00 174.94 175.06 3ko3 n LYS 34 N -0.60 2.43 -1.77 0.37 4.76 -1.26 -2.07 118.16 120.02 3ko3 n LYS 34 Ca -0.06 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 54.98 3ko3 n LYS 34 Cb 0.62 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.82 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 3.64 0.00 4.39 5.03 -1.04 -3.26 115.26 124.02 3ko3 n ASN 35 Ca 0.00 1.19 0.00 0.00 0.87 0.00 0.00 54.58 56.64 3ko3 n ASN 35 Cb 0.00 -1.62 0.00 0.00 -1.02 0.00 0.00 39.78 37.14 3ko3 n ASN 35 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3ko3 n GLY 36 N 0.49 -0.37 3.22 7.41 0.00 0.36 -2.55 105.19 113.75 3ko3 n GLY 36 Ca 0.03 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 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 2.16 -0.08 0.99 1.43 -0.28 -1.12 118.68 121.78 3ko3 s LEU 37 Ca 0.00 -0.49 0.03 0.00 -1.03 0.00 0.00 54.13 52.64 3ko3 s LEU 37 Cb 0.00 -0.87 -0.02 0.00 0.03 0.00 0.00 46.19 45.33 3ko3 s LEU 37 CO 0.00 0.13 -0.17 -0.51 0.23 0.00 0.00 176.35 176.04 3ko3 s ILE 38 N -0.77 2.81 -0.06 -0.59 2.07 -0.59 -1.18 121.20 122.89 3ko3 s ILE 38 Ca 0.06 -0.79 -0.01 0.00 -1.41 0.00 0.00 60.65 58.51 3ko3 s ILE 38 Cb -0.08 -2.11 0.03 0.00 0.13 0.00 0.00 42.46 40.42 3ko3 s ILE 38 CO 0.01 0.56 -0.02 0.00 -1.91 0.00 0.00 174.94 173.59 3ko3 s PHE 40 N 1.61 3.25 -0.22 0.00 0.08 -0.34 -0.51 117.98 121.85 3ko3 s PHE 40 Ca -0.00 0.13 0.02 0.00 0.12 0.00 0.00 56.93 57.20 3ko3 s PHE 40 Cb -0.13 -2.31 0.04 0.00 -0.57 0.00 0.00 43.02 40.05 3ko3 s PHE 40 CO -0.04 -0.06 -0.15 -1.17 -0.10 0.00 0.00 175.22 173.70 3ko3 s LEU 41 N 1.40 2.70 -0.24 -0.37 0.20 0.15 -1.89 118.68 120.63 3ko3 s LEU 41 Ca 0.07 -1.00 -0.09 0.00 0.69 0.00 0.00 54.13 53.81 3ko3 s LEU 41 Cb -0.15 -1.47 -0.04 0.00 -0.43 0.00 0.00 46.19 44.10 3ko3 s LEU 41 CO 0.07 -0.10 0.11 -0.83 -0.29 0.00 0.00 176.35 175.31 3ko3 s GLY 42 N 1.23 1.86 -0.32 7.98 0.00 0.15 -0.73 107.32 117.49 3ko3 s GLY 42 Ca -0.02 -1.01 -0.11 0.00 0.00 0.00 0.00 44.72 43.58 3ko3 s GLY 42 CO -0.09 0.45 0.20 -0.42 0.00 0.00 0.00 173.10 173.23 3ko3 s ILE 43 N 1.32 4.99 0.66 0.90 1.01 -1.26 -0.59 121.20 128.23 3ko3 s ILE 43 Ca 0.06 -0.26 -0.14 0.00 0.00 0.00 0.00 60.65 60.31 3ko3 s ILE 43 Cb -0.15 -3.53 -0.00 0.00 0.01 0.00 0.00 42.46 38.79 3ko3 s ILE 43 CO 0.05 0.06 1.09 -2.28 0.00 0.00 0.00 174.94 173.85 3ko3 s HIS 44 N 1.68 2.76 0.16 3.97 5.65 -1.26 -0.70 115.29 127.55 3ko3 s HIS 44 Ca 0.06 1.53 0.29 0.00 0.25 0.00 0.00 55.06 57.18 3ko3 s HIS 44 Cb -0.17 -3.08 1.20 0.00 -1.18 0.00 0.00 32.58 29.35 3ko3 s HIS 44 CO 0.09 -1.50 1.93 1.57 -0.65 0.00 0.00 174.74 176.18 3ko3 h LYS 45 N -0.10 0.00 -0.65 2.88 2.10 -1.66 -2.35 116.57 116.79 3ko3 h LYS 45 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 3ko3 h LYS 45 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 3ko3 h LYS 45 CO 0.55 0.11 0.00 0.09 -2.00 0.00 0.00 179.45 178.20 3ko3 n ASN 46 N -3.27 4.37 -4.77 7.07 3.02 -1.26 -4.97 115.26 115.44 3ko3 n ASN 46 Ca 0.00 -2.38 -0.41 0.00 -0.03 0.00 0.00 54.58 51.76 3ko3 n ASN 46 Cb 0.35 -0.55 -0.02 0.00 -0.61 0.00 0.00 39.78 38.95 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 -0.86 6.78 0.46 6.41 1.01 -0.88 -5.02 116.67 124.57 3ko3 s ASP 47 Ca 0.47 2.67 0.04 0.00 0.71 0.00 0.00 52.55 56.44 3ko3 s ASP 47 Cb 0.30 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.54 3ko3 s ASP 47 CO 0.23 -0.53 0.02 0.42 0.21 0.00 0.00 175.17 175.52 3ko3 s THR 48 N -1.07 1.60 0.09 -1.27 -4.23 -1.26 -5.01 115.64 104.49 3ko3 s THR 48 Ca 0.49 -1.98 -0.20 0.00 -1.18 0.00 0.00 61.69 58.82 3ko3 s THR 48 Cb -0.40 -2.58 -0.09 0.00 1.34 0.00 0.00 72.50 70.77 3ko3 s THR 48 CO 0.52 0.00 1.66 -0.25 -0.54 0.00 0.00 174.62 176.01 3ko3 h TRP 49 N 1.54 0.25 -1.14 3.99 -0.00 -2.00 -1.13 115.95 117.45 3ko3 h TRP 49 Ca -0.44 -0.01 0.32 0.00 -0.00 0.00 0.00 58.89 58.76 3ko3 h TRP 49 Cb 1.28 -0.08 -0.06 0.00 -0.00 0.00 0.00 29.16 30.30 3ko3 h TRP 49 CO 1.12 0.28 0.80 0.93 -0.00 0.00 0.00 178.44 181.56 3ko3 h GLU 50 N 0.14 0.10 0.55 2.65 4.39 -1.98 0.32 114.58 120.75 3ko3 h GLU 50 Ca 0.06 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 3ko3 h GLU 50 Cb 0.13 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 28.76 3ko3 h GLU 50 CO -0.01 0.07 -0.27 -0.44 -1.16 0.00 0.00 179.01 177.21 3ko3 h ASP 51 N 0.11 -0.63 -0.17 1.42 3.32 -1.61 -2.86 116.42 115.99 3ko3 h ASP 51 Ca 0.58 -0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.61 3ko3 h ASP 51 Cb 2.06 0.16 -0.05 0.00 0.22 0.00 0.00 39.33 41.72 3ko3 h ASP 51 CO -0.10 -0.26 -0.37 0.00 -1.72 0.00 0.00 179.24 176.79 3ko3 h ALA 52 N -0.88 -0.70 -1.46 3.45 0.00 -0.71 -1.79 119.26 117.17 3ko3 h ALA 52 Ca -0.08 -0.02 0.46 0.00 0.00 0.00 0.00 54.91 55.27 3ko3 h ALA 52 Cb 0.63 0.93 -0.11 0.00 0.00 0.00 0.00 17.79 19.24 3ko3 h ALA 52 CO 0.12 -0.85 0.98 -0.07 0.00 0.00 0.00 179.25 179.44 3ko3 h LEU 53 N -0.34 0.17 0.03 0.00 4.07 -1.11 -0.54 115.31 117.59 3ko3 h LEU 53 Ca 0.03 0.10 -0.00 0.00 0.08 0.00 0.00 57.88 58.09 3ko3 h LEU 53 Cb 0.44 0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.27 3ko3 h LEU 53 CO -0.35 -0.14 -0.02 0.22 -1.08 0.00 0.00 178.44 177.08 3ko3 h TYR 54 N 0.05 -0.04 -0.57 1.13 3.20 -1.08 -1.87 116.97 117.79 3ko3 h TYR 54 Ca 0.84 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.82 3ko3 h TYR 54 Cb 2.85 0.01 -0.11 0.00 1.54 0.00 0.00 36.73 41.02 3ko3 h TYR 54 CO -0.00 0.47 -0.24 0.82 -1.64 0.00 0.00 178.16 177.57 3ko3 h ILE 55 N -0.58 0.29 0.25 1.81 1.08 -0.89 -0.81 117.51 118.66 3ko3 h ILE 55 Ca -0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.45 3ko3 h ILE 55 Cb 0.53 0.29 0.00 0.00 -3.07 0.00 0.00 36.82 34.57 3ko3 h ILE 55 CO 0.01 0.00 -0.12 0.40 -0.69 0.00 0.00 178.15 177.75 3ko3 h ILE 56 N -0.10 0.75 -0.22 -0.67 2.04 -1.32 0.39 117.51 118.38 3ko3 h ILE 56 Ca 0.26 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.15 3ko3 h ILE 56 Cb 0.50 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 37.27 3ko3 h ILE 56 CO -0.63 0.00 -0.43 -0.09 0.00 0.00 0.00 178.15 177.00 3ko3 h ARG 57 N -0.34 -0.36 -0.14 2.37 2.43 -0.96 -0.20 114.38 117.19 3ko3 h ARG 57 Ca -0.03 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3ko3 h ARG 57 Cb 0.26 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 3ko3 h ARG 57 CO 0.05 -0.24 -0.12 0.87 -1.51 0.00 0.00 179.97 179.03 3ko3 h LYS 58 N -0.37 -0.04 -0.93 0.20 1.79 -1.01 0.37 116.57 116.58 3ko3 h LYS 58 Ca 0.04 0.00 0.27 0.00 -2.18 0.00 0.00 60.65 58.78 3ko3 h LYS 58 Cb 0.49 0.01 -0.15 0.00 -1.58 0.00 0.00 32.23 31.00 3ko3 h LYS 58 CO -0.41 -0.03 0.30 0.00 -1.08 0.00 0.00 179.45 178.24 3ko3 h LEU 60 N 0.19 0.00 0.00 0.00 3.38 0.37 -3.39 115.31 115.86 3ko3 h LEU 60 Ca 0.62 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.56 3ko3 h LEU 60 Cb 1.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.07 3ko3 h LEU 60 CO -0.69 0.79 -1.57 0.59 0.09 0.00 0.00 178.44 177.65 3ko3 n ASN 61 N -3.20 2.28 -4.57 -0.43 4.13 0.12 -3.94 115.26 109.64 3ko3 n ASN 61 Ca -0.03 0.00 -0.52 0.00 1.68 0.00 0.00 54.58 55.71 3ko3 n ASN 61 Cb 0.88 1.46 -0.05 0.00 -1.54 0.00 0.00 39.78 40.52 3ko3 n ASN 61 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3ko3 n LEU 62 N -1.97 1.38 -4.44 3.41 4.77 0.32 -4.70 117.00 115.77 3ko3 n LEU 62 Ca -0.04 1.13 -0.44 0.00 -0.03 0.00 0.00 56.01 56.63 3ko3 n LEU 62 Cb 0.37 -1.17 -0.06 0.00 -2.33 0.00 0.00 43.42 40.24 3ko3 n LEU 62 CO 0.25 -1.26 0.36 -0.13 -1.33 0.00 0.00 177.39 175.27 3ko3 s ARG 63 N 0.12 3.11 0.00 3.23 0.52 -1.26 -4.38 118.95 120.29 3ko3 s ARG 63 Ca 0.81 -0.94 0.00 0.00 -0.52 0.00 0.00 55.73 55.08 3ko3 s ARG 63 Cb -0.95 -4.12 0.00 0.00 0.52 0.00 0.00 34.95 30.40 3ko3 s ARG 63 CO 0.50 -1.28 0.00 1.28 0.02 0.00 0.00 175.30 175.82 3ko3 n LEU 64 N 6.23 0.00 -4.79 2.53 4.77 -0.49 -4.31 117.00 120.93 3ko3 n LEU 64 Ca -0.07 -0.32 -0.34 0.00 -0.03 0.00 0.00 56.01 55.25 3ko3 n LEU 64 Cb 0.45 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.47 3ko3 n LEU 64 CO 0.55 0.00 -0.23 0.26 -1.33 0.00 0.00 177.39 176.63 3ko3 s TRP 65 N -1.20 3.36 0.08 -1.77 0.51 -0.68 -4.72 118.94 114.51 3ko3 s TRP 65 Ca 0.00 0.29 -0.33 0.00 -2.12 0.00 0.00 56.10 53.94 3ko3 s TRP 65 Cb 0.00 -1.80 -0.12 0.00 -0.81 0.00 0.00 33.47 30.74 3ko3 s TRP 65 CO 0.00 0.59 1.77 0.09 -0.51 0.00 0.00 176.95 178.88 3ko3 n ASN 66 N 1.54 3.58 -4.26 2.95 4.13 -1.26 -1.41 115.26 120.54 3ko3 n ASN 66 Ca -0.16 1.01 -0.43 0.00 1.68 0.00 0.00 54.58 56.68 3ko3 n ASN 66 Cb 0.53 -1.46 0.00 0.00 -1.54 0.00 0.00 39.78 37.32 3ko3 n ASN 66 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3ko3 n ASN 67 N 5.22 5.11 0.00 6.41 2.85 0.76 -4.80 115.26 130.81 3ko3 n ASN 67 Ca 0.19 -3.01 0.00 0.00 -0.11 0.00 0.00 54.58 51.65 3ko3 n ASN 67 Cb 0.32 -1.56 0.00 0.00 1.24 0.00 0.00 39.78 39.78 3ko3 n ASN 67 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 3ko3 n ASP 68 N 5.32 0.00 0.00 1.20 4.64 -1.26 -1.86 116.55 124.59 3ko3 n ASP 68 Ca 0.39 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.80 3ko3 n ASP 68 Cb 0.41 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.49 3ko3 n ASP 68 CO 0.00 0.00 0.00 0.59 -0.82 0.00 0.00 177.20 176.97 3ko3 n ASN 69 N 0.00 -0.13 -3.59 1.67 3.02 -1.26 -5.08 115.26 109.90 3ko3 n ASN 69 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.46 3ko3 n ASN 69 Cb 0.00 -0.02 -0.05 0.00 -0.61 0.00 0.00 39.78 39.10 3ko3 n ASN 69 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 3ko3 s LYS 70 N -0.94 0.52 0.31 3.52 -2.85 -0.78 -5.19 119.74 114.33 3ko3 s LYS 70 Ca 0.00 0.12 0.08 0.00 -1.00 0.00 0.00 55.97 55.17 3ko3 s LYS 70 Cb 0.00 0.24 -0.03 0.00 -2.06 0.00 0.00 37.83 35.98 3ko3 s LYS 70 CO 0.00 -0.16 0.23 0.95 0.10 0.00 0.00 175.35 176.47 3ko3 s THR 71 N -1.11 3.70 -1.47 3.79 -4.23 -1.26 -0.17 115.64 114.89 3ko3 s THR 71 Ca -0.00 -1.45 -0.04 0.00 -1.18 0.00 0.00 61.69 59.01 3ko3 s THR 71 Cb -0.01 -3.19 0.01 0.00 1.34 0.00 0.00 72.50 70.65 3ko3 s THR 71 CO 0.00 -0.23 0.18 0.79 -0.54 0.00 0.00 174.62 174.82 3ko3 n TRP 72 N -1.27 -1.37 -0.03 3.99 7.02 -1.26 -4.80 117.44 119.73 3ko3 n TRP 72 Ca -0.04 0.57 -0.05 0.00 -1.02 0.00 0.00 57.50 56.96 3ko3 n TRP 72 Cb 0.59 -3.01 -0.02 0.00 -2.42 0.00 0.00 31.31 26.45 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 -2.82 1.13 -4.73 -0.99 2.03 -1.14 -4.81 116.55 105.22 3ko3 n ASP 73 Ca -0.30 0.04 -0.32 0.00 0.52 0.00 0.00 54.79 54.74 3ko3 n ASP 73 Cb 0.68 -0.14 -0.08 0.00 -0.72 0.00 0.00 41.12 40.87 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 -2.10 2.83 0.42 -0.67 -0.14 -0.50 -4.85 119.74 114.73 3ko3 s LYS 74 Ca -0.07 -0.65 0.05 0.00 -1.36 0.00 0.00 55.97 53.94 3ko3 s LYS 74 Cb 0.03 -2.70 0.05 0.00 -1.68 0.00 0.00 37.83 33.52 3ko3 s LYS 74 CO 0.10 0.60 0.40 0.27 -0.76 0.00 0.00 175.35 175.96 3ko3 n ASN 75 N 0.93 2.09 -0.03 2.83 0.23 -1.26 -1.40 115.26 118.65 3ko3 n ASN 75 Ca -0.12 -2.34 -0.10 0.00 -0.53 0.00 0.00 54.58 51.50 3ko3 n ASN 75 Cb 0.52 -0.12 0.06 0.00 -2.08 0.00 0.00 39.78 38.16 3ko3 n ASN 75 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 3ko3 h VAL 76 N 0.45 1.30 -0.08 3.53 2.07 -1.77 -2.90 116.25 118.85 3ko3 h VAL 76 Ca -0.24 -1.66 -0.24 0.00 0.82 0.00 0.00 66.70 65.37 3ko3 h VAL 76 Cb 0.95 1.61 0.02 0.00 -1.52 0.00 0.00 31.29 32.34 3ko3 h VAL 76 CO 0.37 0.53 -0.89 0.11 0.02 0.00 0.00 177.57 177.71 3ko3 h LYS 77 N 0.52 0.74 -0.95 1.57 1.57 -1.85 0.21 116.57 118.37 3ko3 h LYS 77 Ca 0.03 -0.69 0.17 0.00 -1.87 0.00 0.00 60.65 58.29 3ko3 h LYS 77 Cb 1.00 0.17 -0.08 0.00 0.08 0.00 0.00 32.23 33.40 3ko3 h LYS 77 CO 0.09 1.28 0.60 -0.44 -0.57 0.00 0.00 179.45 180.42 3ko3 h ASP 78 N 0.45 0.69 -0.40 0.86 3.32 -1.86 -0.26 116.42 119.22 3ko3 h ASP 78 Ca -0.09 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 3ko3 h ASP 78 Cb 1.53 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.99 3ko3 h ASP 78 CO 0.18 0.30 0.02 0.18 -1.72 0.00 0.00 179.24 178.21 3ko3 n LEU 79 N -4.63 4.65 -3.56 1.55 4.77 -1.11 -4.95 117.00 113.73 3ko3 n LEU 79 Ca 0.20 -3.06 -0.26 0.00 -0.03 0.00 0.00 56.01 52.86 3ko3 n LEU 79 Cb 0.54 -0.61 0.04 0.00 -2.33 0.00 0.00 43.42 41.05 3ko3 n LEU 79 CO 0.26 0.71 0.09 -3.20 -1.33 0.00 0.00 177.39 173.93 3ko3 n ASN 80 N -0.20 -5.31 -4.90 -1.43 5.15 -0.11 -4.94 115.26 103.52 3ko3 n ASN 80 Ca 0.26 -0.55 -0.21 0.00 -0.60 0.00 0.00 54.58 53.48 3ko3 n ASN 80 Cb 1.04 -4.25 0.06 0.00 -0.53 0.00 0.00 39.78 36.10 3ko3 n ASN 80 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3ko3 s TYR 81 N -3.22 2.06 0.27 1.20 2.02 0.72 -5.02 117.35 115.38 3ko3 s TYR 81 Ca 0.53 -0.35 0.07 0.00 -0.37 0.00 0.00 57.07 56.96 3ko3 s TYR 81 Cb -0.25 -2.63 -0.03 0.00 -0.40 0.00 0.00 41.96 38.64 3ko3 s TYR 81 CO 0.65 -1.14 0.20 -1.21 -1.57 0.00 0.00 175.55 172.48 3ko3 s GLU 82 N -4.79 2.83 0.02 -0.62 2.02 -1.06 -4.73 118.70 112.37 3ko3 s GLU 82 Ca 0.61 -1.14 0.02 0.00 0.02 0.00 0.00 54.97 54.48 3ko3 s GLU 82 Cb -0.07 -2.51 -0.01 0.00 0.10 0.00 0.00 34.13 31.63 3ko3 s GLU 82 CO 0.40 0.32 -0.08 -0.51 0.02 0.00 0.00 175.26 175.41 3ko3 s LEU 83 N -3.87 2.12 -0.21 1.80 1.02 0.07 -1.13 118.68 118.49 3ko3 s LEU 83 Ca 0.35 -0.31 -0.00 0.00 0.02 0.00 0.00 54.13 54.18 3ko3 s LEU 83 Cb -0.07 -0.32 0.05 0.00 0.02 0.00 0.00 46.19 45.87 3ko3 s LEU 83 CO 0.25 -0.02 -0.05 -0.22 0.02 0.00 0.00 176.35 176.33 3ko3 s LEU 84 N -0.77 2.09 -0.24 1.79 2.96 -0.33 0.15 118.68 124.33 3ko3 s LEU 84 Ca -0.02 -0.96 -0.08 0.00 -0.22 0.00 0.00 54.13 52.85 3ko3 s LEU 84 Cb -0.06 -1.03 -0.03 0.00 0.50 0.00 0.00 46.19 45.57 3ko3 s LEU 84 CO 0.00 -0.22 0.08 -0.63 -1.32 0.00 0.00 176.35 174.26 3ko3 s ILE 85 N 1.52 4.55 -0.08 6.68 -1.09 -0.01 -1.09 121.20 131.68 3ko3 s ILE 85 Ca -0.03 -0.10 0.03 0.00 -2.23 0.00 0.00 60.65 58.32 3ko3 s ILE 85 Cb -0.17 -3.12 0.01 0.00 -1.58 0.00 0.00 42.46 37.60 3ko3 s ILE 85 CO -0.07 0.35 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.14 3ko3 s VAL 86 N 1.35 1.51 0.23 2.92 1.01 0.33 -3.55 120.40 124.20 3ko3 s VAL 86 Ca 0.05 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 3ko3 s VAL 86 Cb -0.15 -1.35 -0.09 0.00 0.00 0.00 0.00 36.38 34.80 3ko3 s VAL 86 CO 0.04 0.44 1.17 -0.55 0.00 0.00 0.00 175.10 176.20 3ko3 s SER 87 N 0.61 7.13 -0.42 3.32 0.15 -1.26 0.35 113.70 123.58 3ko3 s SER 87 Ca -0.15 2.28 0.04 0.00 0.70 0.00 0.00 55.95 58.83 3ko3 s SER 87 Cb -0.16 -2.62 0.17 0.00 -1.71 0.00 0.00 66.02 61.70 3ko3 s SER 87 CO 0.05 -0.30 0.42 -1.10 1.20 0.00 0.00 173.24 173.51 3ko3 s GLN 88 N -0.82 0.83 0.39 5.44 -1.52 0.09 -4.75 119.66 119.33 3ko3 s GLN 88 Ca 0.49 -1.46 0.13 0.00 -1.95 0.00 0.00 55.36 52.56 3ko3 s GLN 88 Cb -0.33 -0.91 0.94 0.00 -0.22 0.00 0.00 33.01 32.49 3ko3 s GLN 88 CO 0.40 -1.31 1.89 0.27 -0.25 0.00 0.00 175.29 176.29 3ko3 h PHE 89 N 6.03 0.64 -0.15 0.91 -5.15 -1.95 -2.20 116.94 115.06 3ko3 h PHE 89 Ca 0.15 0.02 0.04 0.00 -0.20 0.00 0.00 57.97 57.98 3ko3 h PHE 89 Cb 1.00 -0.20 -0.01 0.00 0.22 0.00 0.00 35.95 36.96 3ko3 h PHE 89 CO 0.26 0.24 0.37 1.79 -2.00 0.00 0.00 178.31 178.96 3ko3 h THR 90 N 0.54 0.15 0.00 0.88 1.35 -1.95 0.80 112.91 114.69 3ko3 h THR 90 Ca 0.41 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 66.26 3ko3 h THR 90 Cb 0.81 0.67 -0.00 0.00 -1.73 0.00 0.00 68.15 67.89 3ko3 h THR 90 CO -0.16 0.00 -0.05 -0.07 -0.25 0.00 0.00 175.52 174.99 3ko3 h LEU 91 N 0.00 0.00 -2.71 3.87 3.38 -1.79 0.78 115.31 118.85 3ko3 h LEU 91 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3ko3 h LEU 91 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 3ko3 h LEU 91 CO -0.00 0.05 0.00 0.49 0.09 0.00 0.00 178.44 179.06 3ko3 n PHE 92 N -3.42 1.20 -1.56 1.13 3.72 0.28 -4.88 117.46 113.93 3ko3 n PHE 92 Ca -0.02 -0.51 -0.32 0.00 -0.05 0.00 0.00 57.45 56.55 3ko3 n PHE 92 Cb 0.17 -0.15 -0.04 0.00 -0.94 0.00 0.00 39.48 38.52 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 -0.90 -0.52 0.09 1.37 0.00 0.27 -4.51 107.32 103.12 3ko3 s GLY 93 Ca 0.46 -0.14 -0.30 0.00 0.00 0.00 0.00 44.72 44.74 3ko3 s GLY 93 CO 0.25 4.16 1.05 0.21 0.00 0.00 0.00 173.10 178.77 3ko3 s ASN 94 N 11.96 7.31 -0.01 1.64 2.47 0.22 -4.77 114.94 133.77 3ko3 s ASN 94 Ca 0.96 1.89 0.09 0.00 0.42 0.00 0.00 52.86 56.22 3ko3 s ASN 94 Cb -0.16 -2.59 0.15 0.00 -1.45 0.00 0.00 41.25 37.20 3ko3 s ASN 94 CO 0.22 -0.24 1.06 0.35 -3.72 0.00 0.00 177.10 174.77 3ko3 n THR 95 N 3.21 0.12 -0.09 -5.21 -2.24 -1.26 0.13 114.28 108.93 3ko3 n THR 95 Ca 0.05 -0.45 -0.11 0.00 -2.27 0.00 0.00 64.05 61.27 3ko3 n THR 95 Cb 0.48 0.61 -0.04 0.00 -2.10 0.00 0.00 70.33 69.28 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 0.32 0.49 -3.92 -0.78 1.57 -1.98 -3.39 116.57 108.87 3ko3 h LYS 96 Ca -0.07 -0.16 -0.77 0.00 -1.87 0.00 0.00 60.65 57.78 3ko3 h LYS 96 Cb 1.53 -0.04 -0.27 0.00 0.08 0.00 0.00 32.23 33.53 3ko3 h LYS 96 CO 0.03 0.66 -0.09 0.15 -0.57 0.00 0.00 179.45 179.63 3ko3 s LYS 97 N -4.95 3.21 0.07 3.15 3.01 -1.26 -5.03 119.74 117.94 3ko3 s LYS 97 Ca -0.13 -2.20 0.00 0.00 -1.01 0.00 0.00 55.97 52.62 3ko3 s LYS 97 Cb 0.08 -4.27 0.00 0.00 -1.01 0.00 0.00 37.83 32.63 3ko3 s LYS 97 CO 0.76 -1.28 0.00 0.41 0.51 0.00 0.00 175.35 175.75 3ko3 n GLY 98 N 4.35 -2.73 0.94 -3.33 0.00 -1.26 -4.73 105.19 98.42 3ko3 n GLY 98 Ca 0.04 -1.68 0.09 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.60 3.15 -4.24 1.61 3.02 -1.26 -4.70 115.26 112.23 3ko3 n ASN 99 Ca 0.00 -1.91 -0.43 0.00 -0.03 0.00 0.00 54.58 52.21 3ko3 n ASN 99 Cb 0.00 -0.23 -0.06 0.00 -0.61 0.00 0.00 39.78 38.87 3ko3 n ASN 99 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3ko3 s LYS 100 N -1.22 2.88 0.40 3.52 2.20 -1.26 -5.07 119.74 121.18 3ko3 s LYS 100 Ca 0.32 -2.05 -0.24 0.00 -0.36 0.00 0.00 55.97 53.63 3ko3 s LYS 100 Cb 0.18 -4.10 -0.12 0.00 -1.51 0.00 0.00 37.83 32.29 3ko3 s LYS 100 CO 0.25 -1.24 0.79 -0.35 -0.36 0.00 0.00 175.35 174.44 3ko3 n PRO 101 N 4.51 0.94 -3.55 4.03 -0.04 -1.26 -4.96 135.00 134.67 3ko3 n PRO 101 Ca -0.01 0.34 -0.36 0.00 -0.04 0.00 0.00 63.50 63.42 3ko3 n PRO 101 Cb 0.42 -1.74 -0.07 0.00 -0.04 0.00 0.00 33.50 32.07 3ko3 n PRO 101 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3ko3 s ASP 102 N -0.83 6.44 0.00 3.54 2.15 0.35 -4.84 116.67 123.49 3ko3 s ASP 102 Ca 0.63 0.51 0.10 0.00 0.43 0.00 0.00 52.55 54.23 3ko3 s ASP 102 Cb -0.61 -2.18 0.08 0.00 -0.30 0.00 0.00 42.92 39.91 3ko3 s ASP 102 CO 0.57 0.12 0.82 0.49 -0.17 0.00 0.00 175.17 177.00 3ko3 n PHE 103 N 3.47 0.00 0.32 -5.34 3.72 -1.26 0.73 117.46 119.09 3ko3 n PHE 103 Ca -0.12 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.45 3ko3 n PHE 103 Cb 0.52 0.00 0.93 0.00 -0.94 0.00 0.00 39.48 39.99 3ko3 n PHE 103 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3ko3 h HIS 104 N 1.98 0.00 -0.01 1.38 2.76 -1.95 0.24 115.15 119.56 3ko3 h HIS 104 Ca 0.00 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.00 3ko3 h HIS 104 Cb 0.43 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.37 3ko3 h HIS 104 CO 0.00 0.00 -0.78 -0.07 -1.30 0.00 0.00 177.93 175.78 3ko3 h LEU 105 N 0.00 0.14-10.22 0.26 4.07 -1.84 -3.46 115.31 104.25 3ko3 h LEU 105 Ca 0.00 -0.10 -0.51 0.00 0.08 0.00 0.00 57.88 57.35 3ko3 h LEU 105 Cb 0.37 -0.04 0.10 0.00 1.08 0.00 0.00 40.66 42.17 3ko3 h LEU 105 CO 0.00 0.86 0.36 0.00 -1.08 0.00 0.00 178.44 178.59 3ko3 s ALA 106 N -3.33 2.46 0.32 1.53 0.00 0.07 -2.32 121.76 120.50 3ko3 s ALA 106 Ca -0.02 0.47 -0.28 0.00 0.00 0.00 0.00 51.96 52.13 3ko3 s ALA 106 Cb 0.11 -3.30 -0.10 0.00 0.00 0.00 0.00 23.12 19.84 3ko3 s ALA 106 CO 0.80 -1.32 1.17 0.21 0.00 0.00 0.00 175.76 176.62 3ko3 s LYS 107 N -4.26 4.43 0.26 0.00 2.20 0.12 -4.39 119.74 118.12 3ko3 s LYS 107 Ca 0.65 1.91 -0.30 0.00 -0.36 0.00 0.00 55.97 57.87 3ko3 s LYS 107 Cb -0.19 -3.03 -0.11 0.00 -1.51 0.00 0.00 37.83 32.99 3ko3 s LYS 107 CO 0.44 -0.01 1.50 -2.00 -0.36 0.00 0.00 175.35 174.92 3ko3 s GLU 108 N -1.75 4.21 0.10 4.03 -6.30 -1.26 -4.75 118.70 112.99 3ko3 s GLU 108 Ca 0.49 2.41 -0.11 0.00 -2.50 0.00 0.00 54.97 55.26 3ko3 s GLU 108 Cb -0.33 -3.08 0.07 0.00 0.00 0.00 0.00 34.13 30.79 3ko3 s GLU 108 CO 0.43 -0.50 0.75 -2.30 0.02 0.00 0.00 175.26 173.66 3ko3 n PRO 109 N 2.28 -0.15 0.08 4.30 -0.02 -1.26 -1.61 135.00 138.62 3ko3 n PRO 109 Ca 0.07 0.74 -0.04 0.00 -2.02 0.00 0.00 63.50 62.26 3ko3 n PRO 109 Cb 0.39 -1.10 0.16 0.00 -0.02 0.00 0.00 33.50 32.94 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 0.30 0.70 2.55 4.21 -2.01 -2.71 115.58 118.62 3ko3 h ASN 110 Ca 0.14 -0.15 -0.21 0.00 1.21 0.00 0.00 56.30 57.29 3ko3 h ASN 110 Cb 0.26 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 37.36 3ko3 h ASN 110 CO -0.47 0.75 -0.96 -0.33 -1.29 0.00 0.00 177.43 175.12 3ko3 h GLU 111 N 0.22 0.15 -0.21 0.81 5.08 -1.68 -3.30 114.58 115.65 3ko3 h GLU 111 Ca 0.01 -0.19 -0.16 0.00 -1.00 0.00 0.00 59.36 58.02 3ko3 h GLU 111 Cb 0.95 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 3ko3 h GLU 111 CO 0.08 1.00 -0.51 0.00 -1.00 0.00 0.00 179.01 178.57 3ko3 h ALA 112 N 0.93 0.71 -0.18 3.43 0.00 -1.43 -2.57 119.26 120.15 3ko3 h ALA 112 Ca -0.05 -0.49 0.01 0.00 0.00 0.00 0.00 54.91 54.38 3ko3 h ALA 112 Cb 1.63 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 3ko3 h ALA 112 CO 0.14 0.68 0.12 1.25 0.00 0.00 0.00 179.25 181.44 3ko3 h LEU 113 N 0.47 0.17 0.36 0.00 5.85 -1.57 0.12 115.31 120.71 3ko3 h LEU 113 Ca 0.02 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3ko3 h LEU 113 Cb 1.05 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.04 3ko3 h LEU 113 CO 0.10 0.12 -0.17 0.40 -0.34 0.00 0.00 178.44 178.55 3ko3 h ILE 114 N 0.20 0.34 -0.03 4.05 2.04 -1.56 -3.07 117.51 119.47 3ko3 h ILE 114 Ca 0.07 -0.72 0.02 0.00 1.00 0.00 0.00 64.86 65.24 3ko3 h ILE 114 Cb 0.04 0.54 -0.06 0.00 -0.74 0.00 0.00 36.82 36.60 3ko3 h ILE 114 CO -0.01 0.08 -0.54 0.15 0.00 0.00 0.00 178.15 177.83 3ko3 h PHE 115 N -1.02 -1.58 -0.69 1.37 3.04 -1.24 -2.36 116.94 114.46 3ko3 h PHE 115 Ca -0.05 0.05 0.15 0.00 3.98 0.00 0.00 57.97 62.10 3ko3 h PHE 115 Cb 0.49 0.69 -0.12 0.00 2.56 0.00 0.00 35.95 39.57 3ko3 h PHE 115 CO 0.03 -0.57 -0.05 -0.92 -2.02 0.00 0.00 178.31 174.78 3ko3 h TYR 116 N -0.65 -0.15 -0.69 0.41 5.03 -0.91 0.28 116.97 120.28 3ko3 h TYR 116 Ca 0.02 0.05 0.06 0.00 2.58 0.00 0.00 58.73 61.44 3ko3 h TYR 116 Cb 0.71 0.18 -0.04 0.00 1.55 0.00 0.00 36.73 39.13 3ko3 h TYR 116 CO -0.53 -0.24 0.46 -0.91 -1.32 0.00 0.00 178.16 175.61 3ko3 h ASN 117 N 0.07 0.64 0.17 -2.11 2.35 -1.38 0.95 115.58 116.27 3ko3 h ASN 117 Ca 0.36 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.94 3ko3 h ASN 117 Cb 0.60 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 3ko3 h ASN 117 CO -0.64 0.42 -0.64 0.11 -1.65 0.00 0.00 177.43 175.04 3ko3 h LYS 118 N 0.74 0.45 -0.04 0.81 1.57 -0.08 -0.84 116.57 119.19 3ko3 h LYS 118 Ca 0.29 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3ko3 h LYS 118 Cb 0.22 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 3ko3 h LYS 118 CO -0.09 0.94 0.01 0.82 -0.57 0.00 0.00 179.45 180.56 3ko3 h ILE 119 N 0.33 1.14 -0.19 1.86 2.04 0.42 -1.88 117.51 121.23 3ko3 h ILE 119 Ca -0.01 -0.42 0.04 0.00 1.00 0.00 0.00 64.86 65.46 3ko3 h ILE 119 Cb 1.19 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 38.59 3ko3 h ILE 119 CO 0.11 0.12 -0.05 0.40 0.00 0.00 0.00 178.15 178.72 3ko3 h ILE 120 N -0.11 0.79 -0.99 -0.67 1.08 -0.71 0.55 117.51 117.46 3ko3 h ILE 120 Ca 0.01 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.55 3ko3 h ILE 120 Cb 0.17 0.79 -0.07 0.00 -3.07 0.00 0.00 36.82 34.65 3ko3 h ILE 120 CO -0.00 0.00 0.64 0.44 -0.69 0.00 0.00 178.15 178.54 3ko3 h ASP 121 N -0.01 1.01 0.17 1.72 3.32 -1.08 0.23 116.42 121.78 3ko3 h ASP 121 Ca 0.09 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.03 3ko3 h ASP 121 Cb 0.15 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3ko3 h ASP 121 CO -0.20 0.64 -0.46 -0.08 -1.72 0.00 0.00 179.24 177.42 3ko3 h GLU 122 N 1.15 0.36 -0.52 3.56 4.57 -0.87 -0.26 114.58 122.57 3ko3 h GLU 122 Ca 0.43 -0.19 -0.00 0.00 -1.18 0.00 0.00 59.36 58.42 3ko3 h GLU 122 Cb 0.19 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 3ko3 h GLU 122 CO -0.18 0.75 0.31 0.74 -1.18 0.00 0.00 179.01 179.45 3ko3 h PHE 123 N 0.29 0.68 -0.31 0.92 0.04 0.10 0.22 116.94 118.88 3ko3 h PHE 123 Ca 0.02 -0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.62 3ko3 h PHE 123 Cb 0.93 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.85 3ko3 h PHE 123 CO 0.02 0.47 -0.47 0.87 -0.60 0.00 0.00 178.31 178.60 3ko3 h LYS 124 N 0.69 0.83 0.48 1.51 1.57 -0.82 -1.46 116.57 119.37 3ko3 h LYS 124 Ca 0.19 -0.48 -0.02 0.00 -1.87 0.00 0.00 60.65 58.46 3ko3 h LYS 124 Cb -0.01 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3ko3 h LYS 124 CO -0.03 1.11 -0.23 -0.22 -0.57 0.00 0.00 179.45 179.51 3ko3 h LYS 125 N 0.66 -0.62 0.00 3.15 3.64 -0.85 -2.68 116.57 119.87 3ko3 h LYS 125 Ca 0.04 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3ko3 h LYS 125 Cb 1.05 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3ko3 h LYS 125 CO 0.10 -0.39 0.00 1.04 -2.27 0.00 0.00 179.45 177.93 3ko3 n GLN 126 N -5.35 0.09 0.00 1.90 6.02 0.77 -4.68 117.38 116.13 3ko3 n GLN 126 Ca -0.12 0.38 0.00 0.00 -0.01 0.00 0.00 57.00 57.26 3ko3 n GLN 126 Cb 0.28 -1.69 0.00 0.00 1.02 0.00 0.00 30.24 29.85 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 -1.86 0.00 -3.57 1.08 9.36 -0.56 -5.07 117.16 116.55 3ko3 n TYR 127 Ca 0.02 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.14 3ko3 n TYR 127 Cb 0.16 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 38.77 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 0.07 0.00 2.98 3.84 -1.03 -4.95 114.94 116.85 3ko3 s ASN 128 Ca 0.00 0.67 0.06 0.00 0.21 0.00 0.00 52.86 53.80 3ko3 s ASN 128 Cb 0.00 1.11 0.37 0.00 -0.55 0.00 0.00 41.25 42.18 3ko3 s ASN 128 CO 0.00 -0.25 0.77 -0.90 -2.79 0.00 0.00 177.10 173.92 3ko3 n ASP 129 N 5.37 0.00 -0.00 -4.21 5.68 -1.23 -0.32 116.55 121.85 3ko3 n ASP 129 Ca -0.07 -0.44 0.11 0.00 -0.50 0.00 0.00 54.79 53.89 3ko3 n ASP 129 Cb 0.50 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.32 3ko3 n ASP 129 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3ko3 n ASP 130 N -0.81 0.10 -1.46 -1.12 2.03 -1.26 -4.40 116.55 109.63 3ko3 n ASP 130 Ca 0.05 -0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.46 3ko3 n ASP 130 Cb 0.02 1.84 0.34 0.00 -0.72 0.00 0.00 41.12 42.60 3ko3 n ASP 130 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3ko3 n LYS 131 N -2.27 3.23 -3.95 -0.67 4.76 0.57 -4.84 118.16 114.98 3ko3 n LYS 131 Ca -0.03 -2.77 -0.34 0.00 -2.87 0.00 0.00 58.31 52.29 3ko3 n LYS 131 Cb 0.56 -1.72 -0.14 0.00 -1.84 0.00 0.00 35.03 31.89 3ko3 n LYS 131 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3ko3 s ILE 132 N -1.41 2.78 0.28 -0.18 -1.09 -1.22 -0.75 121.20 119.61 3ko3 s ILE 132 Ca 0.50 -1.38 0.09 0.00 -2.23 0.00 0.00 60.65 57.63 3ko3 s ILE 132 Cb 0.29 -2.57 -0.04 0.00 -1.58 0.00 0.00 42.46 38.55 3ko3 s ILE 132 CO 0.29 -0.03 0.05 -0.54 -1.23 0.00 0.00 174.94 173.47 3ko3 s LYS 133 N 1.23 2.36 0.10 2.79 -0.14 0.12 -5.00 119.74 121.21 3ko3 s LYS 133 Ca -0.05 -1.42 -0.00 0.00 -1.36 0.00 0.00 55.97 53.13 3ko3 s LYS 133 Cb -0.19 -2.19 -0.04 0.00 -1.68 0.00 0.00 37.83 33.72 3ko3 s LYS 133 CO -0.03 0.30 -0.01 0.96 -0.76 0.00 0.00 175.35 175.82 3ko3 s ILE 134 N -2.34 0.34 0.00 2.17 -4.36 -1.26 -0.83 121.20 114.93 3ko3 s ILE 134 Ca 0.33 -1.88 0.00 0.00 -0.26 0.00 0.00 60.65 58.84 3ko3 s ILE 134 Cb -0.05 -1.77 0.00 0.00 1.25 0.00 0.00 42.46 41.89 3ko3 s ILE 134 CO 0.21 -0.77 0.00 0.61 0.24 0.00 0.00 174.94 175.23 3ko3 n GLY 135 N -0.02 1.29 2.73 6.27 0.00 -1.23 -4.82 105.19 109.40 3ko3 n GLY 135 Ca -0.10 -1.28 -0.24 0.00 0.00 0.00 0.00 46.02 44.39 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 2.47 0.47 0.13 1.61 2.20 -1.26 -5.08 119.74 120.29 3ko3 s LYS 136 Ca 0.00 0.00 -0.29 0.00 -0.36 0.00 0.00 55.97 55.33 3ko3 s LYS 136 Cb 0.00 -1.26 -0.06 0.00 -1.51 0.00 0.00 37.83 35.00 3ko3 s LYS 136 CO 0.00 -0.42 1.59 0.35 -0.36 0.00 0.00 175.35 176.51 3ko3 h PHE 137 N 8.33 -1.11 0.00 4.03 3.57 -1.99 -0.38 116.94 129.40 3ko3 h PHE 137 Ca -0.17 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.37 3ko3 h PHE 137 Cb 1.13 0.49 0.00 0.00 2.79 0.00 0.00 35.95 40.36 3ko3 h PHE 137 CO 0.40 -0.47 -0.38 0.41 -2.23 0.00 0.00 178.31 176.05 3ko3 n GLY 138 N -1.44 -1.38 3.88 2.40 0.00 -1.26 -4.91 105.19 102.48 3ko3 n GLY 138 Ca -0.05 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.42 6.34 0.11 1.61 0.02 -0.15 -5.02 114.94 114.42 3ko3 s ASN 139 Ca 0.10 1.22 -0.31 0.00 -1.02 0.00 0.00 52.86 52.86 3ko3 s ASN 139 Cb 0.16 -2.38 -0.08 0.00 0.02 0.00 0.00 41.25 38.98 3ko3 s ASN 139 CO 0.66 -0.66 1.36 -0.47 0.02 0.00 0.00 177.10 178.00 3ko3 s TYR 140 N -2.83 3.28 0.22 2.20 5.04 -1.26 -4.86 117.35 119.14 3ko3 s TYR 140 Ca 0.52 1.02 0.10 0.00 -2.44 0.00 0.00 57.07 56.27 3ko3 s TYR 140 Cb -0.11 -3.64 -0.05 0.00 0.35 0.00 0.00 41.96 38.52 3ko3 s TYR 140 CO 0.44 -2.19 -0.18 -1.64 -1.34 0.00 0.00 175.55 170.65 3ko3 s MET 141 N 1.07 1.46 -0.08 4.97 -1.94 -1.26 -4.49 119.30 119.03 3ko3 s MET 141 Ca 0.63 -1.61 -0.01 0.00 -1.71 0.00 0.00 55.69 52.99 3ko3 s MET 141 Cb -0.36 -1.46 0.03 0.00 2.01 0.00 0.00 34.83 35.05 3ko3 s MET 141 CO 0.30 0.27 -0.02 1.21 -0.01 0.00 0.00 175.02 176.78 3ko3 s ASN 142 N -3.19 1.65 -0.20 3.03 2.47 -0.53 -4.97 114.94 113.20 3ko3 s ASN 142 Ca 0.24 -0.13 -0.00 0.00 0.42 0.00 0.00 52.86 53.39 3ko3 s ASN 142 Cb -0.04 -0.51 0.05 0.00 -1.45 0.00 0.00 41.25 39.30 3ko3 s ASN 142 CO 0.10 -0.17 -0.03 -0.63 -3.72 0.00 0.00 177.10 172.64 3ko3 s ILE 143 N 1.85 1.17 -0.34 -5.21 1.01 -1.26 0.60 121.20 119.02 3ko3 s ILE 143 Ca 0.04 -0.87 -0.29 0.00 0.00 0.00 0.00 60.65 59.53 3ko3 s ILE 143 Cb -0.12 -1.45 0.00 0.00 0.01 0.00 0.00 42.46 40.90 3ko3 s ILE 143 CO -0.05 -0.04 1.35 -0.62 0.00 0.00 0.00 174.94 175.57 3ko3 s ASP 144 N 1.58 6.54 -0.07 3.58 2.15 0.42 -4.90 116.67 125.97 3ko3 s ASP 144 Ca -0.02 1.07 0.02 0.00 0.43 0.00 0.00 52.55 54.05 3ko3 s ASP 144 Cb -0.17 -2.54 -0.02 0.00 -0.30 0.00 0.00 42.92 39.89 3ko3 s ASP 144 CO -0.07 -1.22 -0.14 -0.69 -0.17 0.00 0.00 175.17 172.89 3ko3 s VAL 145 N 4.78 3.08 -0.69 1.11 1.01 -1.26 0.24 120.40 128.68 3ko3 s VAL 145 Ca 0.58 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.82 3ko3 s VAL 145 Cb -0.16 -2.23 0.18 0.00 0.00 0.00 0.00 36.38 34.17 3ko3 s VAL 145 CO 0.27 0.57 0.53 -0.89 0.00 0.00 0.00 175.10 175.58 3ko3 s THR 146 N -0.44 4.08 0.12 3.92 2.01 -0.44 -5.00 115.64 119.89 3ko3 s THR 146 Ca 0.05 -3.01 -0.31 0.00 0.31 0.00 0.00 61.69 58.73 3ko3 s THR 146 Cb -0.12 -3.61 -0.10 0.00 0.01 0.00 0.00 72.50 68.67 3ko3 s THR 146 CO 0.02 -0.93 1.83 0.20 -0.69 0.00 0.00 174.62 175.05 3ko3 s ASN 147 N 0.78 6.42 -0.63 3.53 0.01 -1.26 -0.66 114.94 123.13 3ko3 s ASN 147 Ca 0.18 2.76 -0.15 0.00 -0.71 0.00 0.00 52.86 54.95 3ko3 s ASN 147 Cb -0.17 -2.57 0.16 0.00 0.41 0.00 0.00 41.25 39.08 3ko3 s ASN 147 CO -0.05 -1.00 0.57 -0.62 -1.51 0.00 0.00 177.10 174.49 3ko3 s ASP 148 N 2.69 6.33 0.00 -1.22 2.15 0.06 -4.65 116.67 122.03 3ko3 s ASP 148 Ca 0.81 -2.10 0.00 0.00 0.43 0.00 0.00 52.55 51.68 3ko3 s ASP 148 Cb -0.46 -2.19 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 3ko3 s ASP 148 CO 0.36 -0.75 0.00 0.61 -0.17 0.00 0.00 175.17 175.22 3ko3 n GLY 149 N 4.79 1.69 3.78 2.66 0.00 -1.26 -3.67 105.19 113.17 3ko3 n GLY 149 Ca -0.04 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 3ko3 n GLY 149 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ko3 s PRO 150 N 0.00 1.42 -0.07 1.61 0.04 -1.26 -5.17 135.00 131.58 3ko3 s PRO 150 Ca 0.00 0.49 -0.02 0.00 0.04 0.00 0.00 61.00 61.51 3ko3 s PRO 150 Cb 0.00 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 32.72 3ko3 s PRO 150 CO 0.00 -2.04 0.03 0.08 0.04 0.00 0.00 177.00 175.11 3ko3 s VAL 151 N -3.17 0.15 -0.26 -0.36 1.01 -1.24 -5.03 120.40 111.50 3ko3 s VAL 151 Ca 0.63 0.22 -0.00 0.00 0.00 0.00 0.00 61.98 62.83 3ko3 s VAL 151 Cb -0.15 -0.38 0.08 0.00 0.00 0.00 0.00 36.38 35.92 3ko3 s VAL 151 CO 0.54 0.19 0.03 -0.89 0.00 0.00 0.00 175.10 174.97 3ko3 s THR 152 N 2.06 1.19 -0.05 3.92 2.01 -1.26 -1.87 115.64 121.65 3ko3 s THR 152 Ca 0.05 -1.27 -0.12 0.00 0.31 0.00 0.00 61.69 60.66 3ko3 s THR 152 Cb -0.12 -1.70 -0.05 0.00 0.01 0.00 0.00 72.50 70.64 3ko3 s THR 152 CO -0.04 -0.37 0.31 -0.63 -0.69 0.00 0.00 174.62 173.20 3ko3 s ILE 153 N 1.51 5.21 -0.07 1.82 -1.09 0.46 -4.93 121.20 124.10 3ko3 s ILE 153 Ca 0.02 0.61 0.02 0.00 -2.23 0.00 0.00 60.65 59.07 3ko3 s ILE 153 Cb -0.18 -3.60 0.01 0.00 -1.58 0.00 0.00 42.46 37.12 3ko3 s ILE 153 CO -0.13 0.59 -0.13 -0.47 -1.23 0.00 0.00 174.94 173.57 3ko3 s TYR 154 N -1.04 1.53 -0.05 3.97 6.14 -1.26 -1.13 117.35 125.51 3ko3 s TYR 154 Ca 0.20 -0.57 0.01 0.00 0.64 0.00 0.00 57.07 57.36 3ko3 s TYR 154 Cb -0.15 -1.11 0.02 0.00 0.42 0.00 0.00 41.96 41.14 3ko3 s TYR 154 CO 0.10 -0.28 -0.07 0.42 0.64 0.00 0.00 175.55 176.36 3ko3 s ILE 155 N 0.62 0.73 -0.17 3.14 1.01 -0.65 -5.01 121.20 120.87 3ko3 s ILE 155 Ca -0.15 -0.23 -0.02 0.00 0.00 0.00 0.00 60.65 60.26 3ko3 s ILE 155 Cb -0.16 -0.72 -0.01 0.00 0.01 0.00 0.00 42.46 41.58 3ko3 s ILE 155 CO 0.04 0.27 -0.09 -0.62 0.00 0.00 0.00 174.94 174.54 3ko3 s ASP 156 N 0.90 4.19 0.38 3.58 -1.08 -1.26 -0.16 116.67 123.21 3ko3 s ASP 156 Ca -0.11 -0.33 0.20 0.00 -0.52 0.00 0.00 52.55 51.79 3ko3 s ASP 156 Cb -0.15 -1.67 0.57 0.00 -1.46 0.00 0.00 42.92 40.21 3ko3 s ASP 156 CO 0.01 0.10 1.67 0.71 0.52 0.00 0.00 175.17 178.18 3ko3 h THR 157 N 5.49 0.69 0.00 1.71 1.35 -1.39 -3.06 112.91 117.70 3ko3 h THR 157 Ca -0.32 -1.55 0.00 0.00 -0.55 0.00 0.00 66.41 63.99 3ko3 h THR 157 Cb 1.19 2.02 0.00 0.00 -1.73 0.00 0.00 68.15 69.63 3ko3 h THR 157 CO 0.59 0.33 0.00 1.41 -0.25 0.00 0.00 175.52 177.59 3ko3 n HIS 158 N -3.35 0.00 -0.39 4.73 8.25 -1.26 -1.51 115.22 121.69 3ko3 n HIS 158 Ca 0.01 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.55 3ko3 n HIS 158 Cb 0.55 0.00 0.25 0.00 1.12 0.00 0.00 29.99 31.91 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 -0.74 3.64 0.00 0.41 9.92 -1.16 -5.17 116.55 123.46 3ko3 n ASP 159 Ca 0.00 -2.18 0.00 0.00 -0.53 0.00 0.00 54.79 52.08 3ko3 n ASP 159 Cb 0.00 -0.40 0.00 0.00 -0.64 0.00 0.00 41.12 40.08 3ko3 n ASP 159 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33