#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ko4 s ARG 2 N 0.00 0.80 -0.03 2.12 0.52 0.11 -1.93 118.95 120.54 3ko4 s ARG 2 Ca 0.00 -0.76 -0.01 0.00 -0.52 0.00 0.00 55.73 54.45 3ko4 s ARG 2 Cb 0.00 -0.77 0.03 0.00 0.52 0.00 0.00 34.95 34.73 3ko4 s ARG 2 CO 0.00 0.18 0.05 0.54 0.02 0.00 0.00 175.30 176.09 3ko4 s VAL 3 N -0.97 -0.07 -0.29 3.52 0.11 -0.35 -1.44 120.40 120.91 3ko4 s VAL 3 Ca -0.01 0.24 -0.11 0.00 -2.93 0.00 0.00 61.98 59.17 3ko4 s VAL 3 Cb -0.08 -0.11 -0.04 0.00 -1.53 0.00 0.00 36.38 34.62 3ko4 s VAL 3 CO 0.01 0.10 0.18 -0.69 -3.33 0.00 0.00 175.10 171.37 3ko4 s VAL 4 N 1.23 5.18 -0.21 2.04 1.01 -0.90 -1.15 120.40 127.60 3ko4 s VAL 4 Ca -0.07 0.07 -0.06 0.00 0.00 0.00 0.00 61.98 61.92 3ko4 s VAL 4 Cb -0.13 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 3ko4 s VAL 4 CO -0.03 0.22 0.02 -0.63 0.00 0.00 0.00 175.10 174.68 3ko4 s ILE 5 N 1.74 4.10 -0.15 2.22 1.01 0.57 -0.05 121.20 130.64 3ko4 s ILE 5 Ca 0.07 -0.26 0.01 0.00 0.00 0.00 0.00 60.65 60.47 3ko4 s ILE 5 Cb -0.16 -2.87 0.01 0.00 0.01 0.00 0.00 42.46 39.45 3ko4 s ILE 5 CO 0.10 0.41 -0.19 -1.10 0.00 0.00 0.00 174.94 174.17 3ko4 s GLN 6 N 1.06 3.11 0.17 2.79 -0.21 0.74 -1.35 119.66 125.97 3ko4 s GLN 6 Ca 0.03 -0.81 -0.30 0.00 0.02 0.00 0.00 55.36 54.30 3ko4 s GLN 6 Cb -0.14 -2.53 -0.07 0.00 1.00 0.00 0.00 33.01 31.26 3ko4 s GLN 6 CO 0.02 -0.01 1.06 0.50 -2.12 0.00 0.00 175.29 174.74 3ko4 s ARG 7 N 0.85 4.63 -0.00 2.91 3.52 -1.04 -1.27 118.95 128.54 3ko4 s ARG 7 Ca -0.06 1.66 -0.14 0.00 -0.13 0.00 0.00 55.73 57.06 3ko4 s ARG 7 Cb -0.15 -3.29 0.02 0.00 -1.56 0.00 0.00 34.95 29.96 3ko4 s ARG 7 CO -0.02 0.13 0.29 0.14 -0.81 0.00 0.00 175.30 175.03 3ko4 s VAL 8 N -0.28 0.06 -0.71 7.11 -7.23 -0.15 -2.07 120.40 117.13 3ko4 s VAL 8 Ca 0.48 -0.54 0.25 0.00 -1.81 0.00 0.00 61.98 60.36 3ko4 s VAL 8 Cb -0.28 -0.65 0.25 0.00 0.56 0.00 0.00 36.38 36.27 3ko4 s VAL 8 CO 0.34 -0.29 1.75 0.29 -0.31 0.00 0.00 175.10 176.88 3ko4 n LYS 9 N 1.18 0.18 0.00 4.82 4.76 0.01 -1.61 118.16 127.50 3ko4 n LYS 9 Ca -0.21 0.25 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 3ko4 n LYS 9 Cb 0.56 -1.76 0.00 0.00 -1.84 0.00 0.00 35.03 31.99 3ko4 n LYS 9 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ko4 n GLY 10 N 0.81 2.83 2.92 0.72 0.00 -1.19 -1.67 105.19 109.61 3ko4 n GLY 10 Ca 0.04 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 3ko4 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ko4 s ALA 11 N -1.92 -0.20 -0.27 4.61 0.00 0.30 -1.14 121.76 123.13 3ko4 s ALA 11 Ca 0.00 0.45 0.01 0.00 0.00 0.00 0.00 51.96 52.41 3ko4 s ALA 11 Cb 0.00 -0.29 0.05 0.00 0.00 0.00 0.00 23.12 22.88 3ko4 s ALA 11 CO 0.00 -0.10 -0.07 0.42 0.00 0.00 0.00 175.76 176.01 3ko4 s ILE 12 N 0.66 2.52 0.03 0.00 1.01 0.17 -1.19 121.20 124.40 3ko4 s ILE 12 Ca -0.05 -1.47 -0.11 0.00 0.00 0.00 0.00 60.65 59.02 3ko4 s ILE 12 Cb -0.07 -2.44 -0.06 0.00 0.01 0.00 0.00 42.46 39.91 3ko4 s ILE 12 CO -0.03 -0.02 0.38 -0.22 0.00 0.00 0.00 174.94 175.05 3ko4 s LEU 13 N 1.18 4.40 0.14 2.97 0.20 -0.48 -1.84 118.68 125.26 3ko4 s LEU 13 Ca -0.06 0.83 -0.01 0.00 0.69 0.00 0.00 54.13 55.57 3ko4 s LEU 13 Cb -0.19 -2.74 -0.04 0.00 -0.43 0.00 0.00 46.19 42.78 3ko4 s LEU 13 CO -0.04 0.25 0.06 -0.44 -0.29 0.00 0.00 176.35 175.90 3ko4 s SER 14 N -1.43 0.29 0.26 3.68 0.01 -0.23 -2.10 113.70 114.18 3ko4 s SER 14 Ca 0.28 -1.22 0.01 0.00 1.31 0.00 0.00 55.95 56.33 3ko4 s SER 14 Cb -0.15 0.30 -0.05 0.00 0.21 0.00 0.00 66.02 66.34 3ko4 s SER 14 CO 0.15 -0.74 0.12 0.68 0.41 0.00 0.00 173.24 173.86 3ko4 s VAL 15 N -4.06 0.38 0.31 3.43 -7.23 -0.76 -1.98 120.40 110.50 3ko4 s VAL 15 Ca 0.25 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 58.14 3ko4 s VAL 15 Cb 0.07 -2.58 -0.13 0.00 0.56 0.00 0.00 36.38 34.31 3ko4 s VAL 15 CO 0.03 0.00 1.23 0.54 -0.31 0.00 0.00 175.10 176.58 3ko4 n ARG 16 N -0.45 1.89 0.00 4.82 3.00 -1.26 -1.24 116.66 123.42 3ko4 n ARG 16 Ca 0.01 0.66 0.00 0.00 -0.01 0.00 0.00 57.85 58.51 3ko4 n ARG 16 Cb 0.66 -2.20 0.00 0.00 0.00 0.00 0.00 32.46 30.92 3ko4 n ARG 16 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 3ko4 n GLU 26 N 0.80 0.00 -4.33 5.56 -0.00 -1.26 -4.73 120.64 116.69 3ko4 n GLU 26 Ca 0.07 0.00 -0.25 0.00 -0.00 0.00 0.00 57.16 56.98 3ko4 n GLU 26 Cb 0.34 0.00 -0.09 0.00 -0.00 0.00 0.00 31.44 31.69 3ko4 n GLU 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3ko4 s LEU 27 N 0.00 2.96 0.02 -1.84 1.43 -1.26 -5.14 118.68 114.84 3ko4 s LEU 27 Ca 0.00 -0.69 0.08 0.00 -1.03 0.00 0.00 54.13 52.49 3ko4 s LEU 27 Cb 0.00 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 3ko4 s LEU 27 CO 0.00 0.06 -0.24 -1.83 0.23 0.00 0.00 176.35 174.57 3ko4 s GLU 28 N -3.21 1.99 0.10 1.70 -1.05 -0.37 -4.95 118.70 112.91 3ko4 s GLU 28 Ca 0.28 -1.01 -0.31 0.00 -0.15 0.00 0.00 54.97 53.78 3ko4 s GLU 28 Cb -0.07 -2.06 -0.07 0.00 -0.44 0.00 0.00 34.13 31.49 3ko4 s GLU 28 CO 0.16 0.54 1.27 0.42 0.95 0.00 0.00 175.26 178.60 3ko4 s ILE 29 N -0.76 3.68 -0.09 1.83 1.01 -1.26 -1.82 121.20 123.79 3ko4 s ILE 29 Ca 0.12 1.23 0.02 0.00 0.00 0.00 0.00 60.65 62.02 3ko4 s ILE 29 Cb -0.10 -3.79 -0.07 0.00 0.01 0.00 0.00 42.46 38.51 3ko4 s ILE 29 CO 0.01 0.11 -0.06 2.30 0.00 0.00 0.00 174.94 177.31 3ko4 n ILE 30 N 3.69 0.53 -4.43 2.92 -6.64 -0.89 -4.95 119.36 109.58 3ko4 n ILE 30 Ca 0.09 -0.23 -0.26 0.00 -1.77 0.00 0.00 62.75 60.58 3ko4 n ILE 30 Cb 0.45 -0.83 -0.11 0.00 -1.44 0.00 0.00 39.64 37.71 3ko4 n ILE 30 CO 0.00 0.00 0.00 -0.44 -1.77 0.00 0.00 176.55 174.34 3ko4 s SER 31 N -4.68 3.44 -0.25 7.28 0.01 -1.20 -5.03 113.70 113.27 3ko4 s SER 31 Ca -0.11 -0.92 -0.18 0.00 1.31 0.00 0.00 55.95 56.06 3ko4 s SER 31 Cb 0.03 -0.26 0.07 0.00 0.21 0.00 0.00 66.02 66.07 3ko4 s SER 31 CO 0.24 0.09 0.64 -0.70 0.41 0.00 0.00 173.24 173.91 3ko4 s GLU 32 N -2.95 0.69 0.10 12.44 2.12 -1.26 -1.38 118.70 128.47 3ko4 s GLU 32 Ca 0.23 1.05 0.05 0.00 0.36 0.00 0.00 54.97 56.66 3ko4 s GLU 32 Cb -0.07 0.21 -0.04 0.00 0.26 0.00 0.00 34.13 34.49 3ko4 s GLU 32 CO 0.11 -0.13 -0.13 0.96 -0.54 0.00 0.00 175.26 175.53 3ko4 s ILE 33 N 1.11 1.17 0.00 -3.70 -4.36 -0.33 -4.97 121.20 110.12 3ko4 s ILE 33 Ca -0.06 -1.60 0.00 0.00 -0.26 0.00 0.00 60.65 58.73 3ko4 s ILE 33 Cb -0.05 -1.37 0.00 0.00 1.25 0.00 0.00 42.46 42.28 3ko4 s ILE 33 CO -0.11 -0.41 0.00 0.29 0.24 0.00 0.00 174.94 174.95 3ko4 n LYS 34 N 0.71 2.68 -1.44 0.37 4.76 -1.26 -0.54 118.16 123.44 3ko4 n LYS 34 Ca -0.17 0.00 -0.47 0.00 -2.87 0.00 0.00 58.31 54.80 3ko4 n LYS 34 Cb 0.57 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.73 3ko4 n LYS 34 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3ko4 n ASN 35 N 0.00 -0.74 0.00 4.39 3.02 -0.67 -3.19 115.26 118.07 3ko4 n ASN 35 Ca 0.00 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.69 3ko4 n ASN 35 Cb 0.00 -1.02 0.00 0.00 -0.61 0.00 0.00 39.78 38.15 3ko4 n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ko4 n GLY 36 N 1.85 0.61 3.49 7.41 0.00 -0.64 -2.57 105.19 115.35 3ko4 n GLY 36 Ca 0.16 -1.54 -0.24 0.00 0.00 0.00 0.00 46.02 44.40 3ko4 n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ko4 s LEU 37 N 0.00 2.67 -0.04 0.99 1.43 -0.70 -0.98 118.68 122.05 3ko4 s LEU 37 Ca 0.00 -0.96 0.02 0.00 -1.03 0.00 0.00 54.13 52.15 3ko4 s LEU 37 Cb 0.00 -1.19 0.01 0.00 0.03 0.00 0.00 46.19 45.04 3ko4 s LEU 37 CO 0.00 0.04 -0.07 -0.51 0.23 0.00 0.00 176.35 176.04 3ko4 s ILE 38 N -2.44 0.66 -0.21 -0.59 2.07 -0.40 -1.62 121.20 118.67 3ko4 s ILE 38 Ca 0.30 -0.23 0.00 0.00 -1.41 0.00 0.00 60.65 59.31 3ko4 s ILE 38 Cb -0.05 -0.63 0.05 0.00 0.13 0.00 0.00 42.46 41.95 3ko4 s ILE 38 CO 0.15 0.24 -0.05 0.00 -1.91 0.00 0.00 174.94 173.37 3ko4 s PHE 40 N 1.51 3.29 -0.36 0.00 0.08 0.93 -1.21 117.98 122.21 3ko4 s PHE 40 Ca -0.03 1.13 0.01 0.00 0.12 0.00 0.00 56.93 58.15 3ko4 s PHE 40 Cb -0.17 -3.14 0.10 0.00 -0.57 0.00 0.00 43.02 39.23 3ko4 s PHE 40 CO -0.07 -0.46 0.11 -1.17 -0.10 0.00 0.00 175.22 173.53 3ko4 s LEU 41 N 2.95 4.88 -0.31 -0.37 0.20 0.14 -2.13 118.68 124.05 3ko4 s LEU 41 Ca 0.36 -2.03 -0.17 0.00 0.69 0.00 0.00 54.13 52.99 3ko4 s LEU 41 Cb -0.15 -1.72 -0.02 0.00 -0.43 0.00 0.00 46.19 43.88 3ko4 s LEU 41 CO 0.08 -0.44 0.45 -0.83 -0.29 0.00 0.00 176.35 175.32 3ko4 s GLY 42 N 1.33 1.85 -0.23 7.98 0.00 -0.52 -1.75 107.32 115.98 3ko4 s GLY 42 Ca 0.08 -0.93 -0.14 0.00 0.00 0.00 0.00 44.72 43.73 3ko4 s GLY 42 CO -0.06 1.13 0.34 -0.42 0.00 0.00 0.00 173.10 174.10 3ko4 s ILE 43 N 2.22 5.23 0.12 0.90 1.01 -1.26 -0.71 121.20 128.71 3ko4 s ILE 43 Ca 0.17 0.56 -0.20 0.00 0.00 0.00 0.00 60.65 61.17 3ko4 s ILE 43 Cb -0.16 -3.67 -0.07 0.00 0.01 0.00 0.00 42.46 38.57 3ko4 s ILE 43 CO 0.11 0.25 0.64 -2.28 0.00 0.00 0.00 174.94 173.66 3ko4 s HIS 44 N 1.43 3.78 0.48 3.97 2.46 -1.26 -0.38 115.29 125.77 3ko4 s HIS 44 Ca 0.15 1.35 0.36 0.00 0.47 0.00 0.00 55.06 57.39 3ko4 s HIS 44 Cb -0.15 -2.56 1.51 0.00 -0.13 0.00 0.00 32.58 31.25 3ko4 s HIS 44 CO 0.08 0.52 1.64 1.57 -2.47 0.00 0.00 174.74 176.08 3ko4 h LYS 45 N 4.21 0.07 -0.64 2.88 2.10 -1.39 0.12 116.57 123.92 3ko4 h LYS 45 Ca -0.49 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.15 3ko4 h LYS 45 Cb 1.21 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 32.52 3ko4 h LYS 45 CO 0.64 0.04 0.01 0.09 -2.00 0.00 0.00 179.45 178.24 3ko4 n ASN 46 N -4.42 5.13 -4.59 7.07 3.02 -1.26 -4.83 115.26 115.38 3ko4 n ASN 46 Ca 0.37 -2.83 -0.43 0.00 -0.03 0.00 0.00 54.58 51.66 3ko4 n ASN 46 Cb 1.53 -0.67 -0.02 0.00 -0.61 0.00 0.00 39.78 40.01 3ko4 n ASN 46 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3ko4 s ASP 47 N -0.68 6.56 0.80 6.41 1.01 0.43 -4.99 116.67 126.21 3ko4 s ASP 47 Ca 0.48 0.33 -0.12 0.00 0.71 0.00 0.00 52.55 53.95 3ko4 s ASP 47 Cb 0.37 -2.55 0.07 0.00 1.01 0.00 0.00 42.92 41.82 3ko4 s ASP 47 CO 0.14 -1.34 1.10 0.42 0.21 0.00 0.00 175.17 175.70 3ko4 s THR 48 N 4.64 2.96 0.55 -1.27 -4.23 -1.26 -4.94 115.64 112.09 3ko4 s THR 48 Ca 0.46 0.31 0.29 0.00 -1.18 0.00 0.00 61.69 61.58 3ko4 s THR 48 Cb -0.07 -3.07 0.34 0.00 1.34 0.00 0.00 72.50 71.04 3ko4 s THR 48 CO 0.30 -0.41 2.21 -0.25 -0.54 0.00 0.00 174.62 175.93 3ko4 h TRP 49 N -1.11 0.00 -0.52 3.99 -0.00 -2.00 -1.27 115.95 115.03 3ko4 h TRP 49 Ca -0.47 0.00 -0.05 0.00 -0.00 0.00 0.00 58.89 58.37 3ko4 h TRP 49 Cb 1.27 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 30.41 3ko4 h TRP 49 CO 0.45 0.03 0.13 0.93 -0.00 0.00 0.00 178.44 179.97 3ko4 h GLU 50 N 0.00 0.79 -0.51 2.65 4.39 -1.99 -0.86 114.58 119.04 3ko4 h GLU 50 Ca -0.00 -0.15 0.03 0.00 0.34 0.00 0.00 59.36 59.58 3ko4 h GLU 50 Cb 0.09 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.58 3ko4 h GLU 50 CO 0.00 0.71 0.29 -0.44 -1.16 0.00 0.00 179.01 178.41 3ko4 h ASP 51 N 0.76 0.45 0.33 1.42 3.32 -1.59 -2.59 116.42 118.51 3ko4 h ASP 51 Ca 0.17 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 3ko4 h ASP 51 Cb 0.28 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3ko4 h ASP 51 CO -0.00 0.31 -0.16 0.00 -1.72 0.00 0.00 179.24 177.67 3ko4 h ALA 52 N 1.24 -0.44 -0.80 3.45 0.00 -1.45 -3.09 119.26 118.18 3ko4 h ALA 52 Ca 0.21 -0.11 0.17 0.00 0.00 0.00 0.00 54.91 55.17 3ko4 h ALA 52 Cb 0.06 0.17 -0.15 0.00 0.00 0.00 0.00 17.79 17.87 3ko4 h ALA 52 CO -0.12 -0.72 -0.16 -0.07 0.00 0.00 0.00 179.25 178.18 3ko4 h LEU 53 N -0.50 -0.67 -0.46 0.00 4.07 -0.95 -1.75 115.31 115.05 3ko4 h LEU 53 Ca -0.05 0.23 -0.00 0.00 0.08 0.00 0.00 57.88 58.15 3ko4 h LEU 53 Cb 0.37 0.47 -0.02 0.00 1.08 0.00 0.00 40.66 42.56 3ko4 h LEU 53 CO 0.07 -0.26 0.27 0.22 -1.08 0.00 0.00 178.44 177.67 3ko4 h TYR 54 N 0.01 0.61 -0.82 1.13 3.20 -1.47 -2.07 116.97 117.56 3ko4 h TYR 54 Ca 0.40 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.32 3ko4 h TYR 54 Cb 0.63 -0.20 -0.06 0.00 1.54 0.00 0.00 36.73 38.64 3ko4 h TYR 54 CO -0.59 0.43 0.50 0.82 -1.64 0.00 0.00 178.16 177.68 3ko4 h ILE 55 N 0.61 1.03 0.62 1.81 1.08 -1.26 -1.61 117.51 119.78 3ko4 h ILE 55 Ca 0.16 -0.31 -0.03 0.00 -0.39 0.00 0.00 64.86 64.29 3ko4 h ILE 55 Cb 0.01 0.03 0.01 0.00 -3.07 0.00 0.00 36.82 33.80 3ko4 h ILE 55 CO -0.03 0.17 -0.30 0.40 -0.69 0.00 0.00 178.15 177.70 3ko4 h ILE 56 N 0.91 0.08 -0.67 -0.67 2.04 -1.01 -0.26 117.51 117.93 3ko4 h ILE 56 Ca 0.36 -0.38 0.14 0.00 1.00 0.00 0.00 64.86 65.98 3ko4 h ILE 56 Cb 0.17 0.11 -0.11 0.00 -0.74 0.00 0.00 36.82 36.26 3ko4 h ILE 56 CO -0.17 0.01 0.07 -0.09 0.00 0.00 0.00 178.15 177.97 3ko4 h ARG 57 N -1.19 0.17 -0.41 2.37 2.43 -1.37 0.23 114.38 116.62 3ko4 h ARG 57 Ca -0.09 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.01 3ko4 h ARG 57 Cb 0.66 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 3ko4 h ARG 57 CO 0.14 0.12 0.01 0.87 -1.51 0.00 0.00 179.97 179.59 3ko4 h LYS 58 N 0.18 0.72 -0.78 0.20 1.79 -1.29 0.39 116.57 117.78 3ko4 h LYS 58 Ca 0.36 -0.22 0.05 0.00 -2.18 0.00 0.00 60.65 58.66 3ko4 h LYS 58 Cb 0.60 -0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 31.13 3ko4 h LYS 58 CO -0.52 0.80 0.48 0.00 -1.08 0.00 0.00 179.45 179.12 3ko4 h LEU 60 N 0.90 0.05 -2.25 0.00 3.38 -0.65 -3.38 115.31 113.36 3ko4 h LEU 60 Ca 0.33 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3ko4 h LEU 60 Cb 0.11 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3ko4 h LEU 60 CO -0.15 1.06 0.00 0.59 0.09 0.00 0.00 178.44 180.03 3ko4 n ASN 61 N -3.26 2.47 -4.75 -0.43 3.02 0.13 -3.71 115.26 108.73 3ko4 n ASN 61 Ca -0.08 -1.76 -0.40 0.00 -0.03 0.00 0.00 54.58 52.31 3ko4 n ASN 61 Cb 0.99 -0.13 -0.05 0.00 -0.61 0.00 0.00 39.78 39.98 3ko4 n ASN 61 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3ko4 s LEU 62 N -0.96 4.60 -0.92 3.41 1.43 -0.37 -4.85 118.68 121.03 3ko4 s LEU 62 Ca 0.18 2.10 -0.14 0.00 -1.03 0.00 0.00 54.13 55.25 3ko4 s LEU 62 Cb 0.11 -3.62 0.22 0.00 0.03 0.00 0.00 46.19 42.93 3ko4 s LEU 62 CO 0.15 0.01 0.92 -0.13 0.23 0.00 0.00 176.35 177.53 3ko4 s ARG 63 N -1.29 3.76 0.00 1.70 0.52 -1.26 -3.97 118.95 118.41 3ko4 s ARG 63 Ca 0.43 -2.55 0.13 0.00 -0.52 0.00 0.00 55.73 53.22 3ko4 s ARG 63 Cb -0.29 -4.55 -0.05 0.00 0.52 0.00 0.00 34.95 30.59 3ko4 s ARG 63 CO 0.36 -1.36 0.67 1.28 0.02 0.00 0.00 175.30 176.27 3ko4 n LEU 64 N 4.09 1.14 -4.56 2.53 4.77 -0.17 -3.11 117.00 121.69 3ko4 n LEU 64 Ca 0.18 -0.68 -0.34 0.00 -0.03 0.00 0.00 56.01 55.14 3ko4 n LEU 64 Cb 0.45 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.43 3ko4 n LEU 64 CO 0.40 0.23 -0.30 0.26 -1.33 0.00 0.00 177.39 176.65 3ko4 s TRP 65 N -1.78 3.13 0.77 -1.77 0.51 -0.12 -4.74 118.94 114.94 3ko4 s TRP 65 Ca 0.09 -0.13 -0.13 0.00 -2.12 0.00 0.00 56.10 53.81 3ko4 s TRP 65 Cb 0.10 -2.03 0.06 0.00 -0.81 0.00 0.00 33.47 30.80 3ko4 s TRP 65 CO 0.38 0.04 1.16 -0.80 -0.51 0.00 0.00 176.95 177.22 3ko4 s ASN 66 N 0.41 4.05 -0.36 2.95 0.01 -1.26 -0.61 114.94 120.12 3ko4 s ASN 66 Ca -0.00 2.18 0.00 0.00 -0.71 0.00 0.00 52.86 54.33 3ko4 s ASN 66 Cb -0.13 -2.57 0.13 0.00 0.41 0.00 0.00 41.25 39.09 3ko4 s ASN 66 CO 0.02 -2.35 0.20 0.21 -1.51 0.00 0.00 177.10 173.67 3ko4 s ASN 67 N -2.49 3.22 0.00 -1.22 2.47 0.13 -4.81 114.94 112.24 3ko4 s ASN 67 Ca 0.69 -2.18 0.00 0.00 0.42 0.00 0.00 52.86 51.80 3ko4 s ASN 67 Cb -0.24 -0.55 0.00 0.00 -1.45 0.00 0.00 41.25 39.00 3ko4 s ASN 67 CO 0.50 -0.32 0.00 -0.67 -3.72 0.00 0.00 177.10 172.89 3ko4 n ASP 68 N 4.08 0.00 0.00 -4.21 -0.08 -1.26 -1.89 116.55 113.19 3ko4 n ASP 68 Ca 0.09 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.37 3ko4 n ASP 68 Cb 0.37 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.83 3ko4 n ASP 68 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 3ko4 n ASN 69 N 0.49 0.00 -4.66 1.67 5.15 -1.26 -5.15 115.26 111.50 3ko4 n ASN 69 Ca 0.00 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 53.63 3ko4 n ASN 69 Cb 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.15 3ko4 n ASN 69 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3ko4 s LYS 70 N 0.00 3.51 0.68 1.20 1.02 -0.79 -5.10 119.74 120.25 3ko4 s LYS 70 Ca 0.00 -0.37 -0.12 0.00 0.02 0.00 0.00 55.97 55.50 3ko4 s LYS 70 Cb 0.00 -3.01 0.00 0.00 -0.52 0.00 0.00 37.83 34.30 3ko4 s LYS 70 CO 0.00 0.48 1.07 0.95 -0.92 0.00 0.00 175.35 176.93 3ko4 s THR 71 N -0.25 3.81 -0.91 2.17 -4.23 -1.26 0.19 115.64 115.16 3ko4 s THR 71 Ca 0.07 0.67 -0.08 0.00 -1.18 0.00 0.00 61.69 61.17 3ko4 s THR 71 Cb -0.12 -3.30 0.01 0.00 1.34 0.00 0.00 72.50 70.43 3ko4 s THR 71 CO 0.02 -0.69 0.64 0.79 -0.54 0.00 0.00 174.62 174.83 3ko4 n TRP 72 N -2.88 -1.98 0.00 3.99 7.02 -1.26 -4.86 117.44 117.46 3ko4 n TRP 72 Ca 0.08 0.69 0.00 0.00 -1.02 0.00 0.00 57.50 57.25 3ko4 n TRP 72 Cb 0.53 -2.92 0.00 0.00 -2.42 0.00 0.00 31.31 26.50 3ko4 n TRP 72 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 3ko4 n ASP 73 N -2.47 0.37 -4.70 -0.99 2.03 -1.01 -4.80 116.55 104.99 3ko4 n ASP 73 Ca -0.24 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.72 3ko4 n ASP 73 Cb 0.65 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.96 3ko4 n ASP 73 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3ko4 s LYS 74 N -1.82 3.15 0.00 -0.67 -0.14 0.22 -4.75 119.74 115.74 3ko4 s LYS 74 Ca 0.00 -0.36 0.00 0.00 -1.36 0.00 0.00 55.97 54.25 3ko4 s LYS 74 Cb 0.00 -2.89 0.00 0.00 -1.68 0.00 0.00 37.83 33.26 3ko4 s LYS 74 CO 0.00 0.67 0.00 0.27 -0.76 0.00 0.00 175.35 175.53 3ko4 n ASN 75 N 2.27 0.00 0.11 2.83 0.23 -1.26 -0.94 115.26 118.51 3ko4 n ASN 75 Ca -0.19 -0.56 -0.24 0.00 -0.53 0.00 0.00 54.58 53.07 3ko4 n ASN 75 Cb 0.54 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 38.08 3ko4 n ASN 75 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 3ko4 h VAL 76 N -0.18 1.27 -0.07 3.53 2.07 -1.73 -3.25 116.25 117.88 3ko4 h VAL 76 Ca 0.00 -2.63 0.01 0.00 0.82 0.00 0.00 66.70 64.90 3ko4 h VAL 76 Cb 0.00 3.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 3ko4 h VAL 76 CO 0.00 0.80 -0.01 0.11 0.02 0.00 0.00 177.57 178.48 3ko4 h LYS 77 N 0.03 0.01 -0.28 1.57 1.57 -1.86 -1.03 116.57 116.57 3ko4 h LYS 77 Ca -0.25 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.57 3ko4 h LYS 77 Cb 2.05 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 34.32 3ko4 h LYS 77 CO 0.23 0.00 0.04 -0.44 -0.57 0.00 0.00 179.45 178.72 3ko4 h ASP 78 N 0.01 -0.03 -0.03 0.86 3.32 -1.89 -1.42 116.42 117.24 3ko4 h ASP 78 Ca 0.03 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3ko4 h ASP 78 Cb 0.05 0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3ko4 h ASP 78 CO -0.07 0.02 0.00 0.18 -1.72 0.00 0.00 179.24 177.66 3ko4 n LEU 79 N -5.11 0.22 -3.79 1.55 4.77 -1.21 -4.93 117.00 108.50 3ko4 n LEU 79 Ca -0.00 -0.10 -0.35 0.00 -0.03 0.00 0.00 56.01 55.52 3ko4 n LEU 79 Cb 0.13 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.23 3ko4 n LEU 79 CO 0.25 0.05 -0.10 0.59 -1.33 0.00 0.00 177.39 176.86 3ko4 n ASN 80 N -0.50 -5.02 -4.91 -1.43 3.02 -0.53 -5.01 115.26 100.88 3ko4 n ASN 80 Ca 0.07 -1.07 -0.26 0.00 -0.03 0.00 0.00 54.58 53.29 3ko4 n ASN 80 Cb 0.07 -2.78 -0.00 0.00 -0.61 0.00 0.00 39.78 36.45 3ko4 n ASN 80 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3ko4 s TYR 81 N -3.43 1.63 0.38 3.10 2.02 -0.42 -5.05 117.35 115.57 3ko4 s TYR 81 Ca 0.44 -0.83 0.08 0.00 -0.37 0.00 0.00 57.07 56.38 3ko4 s TYR 81 Cb -0.19 -1.93 -0.06 0.00 -0.40 0.00 0.00 41.96 39.39 3ko4 s TYR 81 CO 0.90 -0.50 0.08 -1.21 -1.57 0.00 0.00 175.55 173.25 3ko4 s GLU 82 N -4.30 2.13 0.01 -0.62 2.02 -1.06 -4.77 118.70 112.12 3ko4 s GLU 82 Ca 0.35 -1.83 0.04 0.00 0.02 0.00 0.00 54.97 53.56 3ko4 s GLU 82 Cb -0.02 -1.92 -0.02 0.00 0.10 0.00 0.00 34.13 32.27 3ko4 s GLU 82 CO 0.22 0.01 -0.13 -0.51 0.02 0.00 0.00 175.26 174.86 3ko4 s LEU 83 N -3.80 2.09 -0.27 1.80 1.02 -0.08 -1.72 118.68 117.73 3ko4 s LEU 83 Ca 0.37 -0.34 0.02 0.00 0.02 0.00 0.00 54.13 54.20 3ko4 s LEU 83 Cb 0.03 -0.63 0.07 0.00 0.02 0.00 0.00 46.19 45.68 3ko4 s LEU 83 CO 0.21 0.10 -0.03 -0.22 0.02 0.00 0.00 176.35 176.42 3ko4 s LEU 84 N -0.69 3.12 -0.35 1.79 2.96 -0.64 -1.24 118.68 123.62 3ko4 s LEU 84 Ca 0.03 -1.46 -0.13 0.00 -0.22 0.00 0.00 54.13 52.36 3ko4 s LEU 84 Cb -0.06 -1.30 -0.01 0.00 0.50 0.00 0.00 46.19 45.32 3ko4 s LEU 84 CO 0.00 -0.27 0.24 -0.63 -1.32 0.00 0.00 176.35 174.37 3ko4 s ILE 85 N 1.27 5.12 -0.08 6.68 -1.09 -1.15 -0.38 121.20 131.57 3ko4 s ILE 85 Ca -0.02 -0.38 0.01 0.00 -2.23 0.00 0.00 60.65 58.03 3ko4 s ILE 85 Cb -0.19 -3.69 -0.03 0.00 -1.58 0.00 0.00 42.46 36.98 3ko4 s ILE 85 CO -0.08 -0.07 -0.10 -0.69 -1.23 0.00 0.00 174.94 172.77 3ko4 s VAL 86 N 1.68 3.44 -0.12 2.92 1.01 -0.35 -3.76 120.40 125.22 3ko4 s VAL 86 Ca 0.05 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.17 3ko4 s VAL 86 Cb -0.18 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 3ko4 s VAL 86 CO 0.09 0.58 1.08 -0.55 0.00 0.00 0.00 175.10 176.30 3ko4 s SER 87 N -0.56 7.15 -0.58 3.32 0.15 -1.26 0.29 113.70 122.21 3ko4 s SER 87 Ca 0.08 1.58 0.05 0.00 0.70 0.00 0.00 55.95 58.36 3ko4 s SER 87 Cb -0.12 -2.55 0.17 0.00 -1.71 0.00 0.00 66.02 61.82 3ko4 s SER 87 CO 0.02 -0.55 0.44 0.00 1.20 0.00 0.00 173.24 174.36 3ko4 n GLN 88 N 5.42 1.16 -0.44 5.44 1.13 -0.72 -4.81 117.38 124.57 3ko4 n GLN 88 Ca 0.10 -3.93 0.36 0.00 -1.94 0.00 0.00 57.00 51.59 3ko4 n GLN 88 Cb 0.47 -2.01 0.65 0.00 0.11 0.00 0.00 30.24 29.46 3ko4 n GLN 88 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 3ko4 h PHE 89 N 5.40 0.46 0.00 1.08 -0.00 -1.94 -2.37 116.94 119.57 3ko4 h PHE 89 Ca 0.20 0.02 0.00 0.00 -0.00 0.00 0.00 57.97 58.19 3ko4 h PHE 89 Cb 0.82 -0.12 0.00 0.00 -0.00 0.00 0.00 35.95 36.65 3ko4 h PHE 89 CO 0.51 -0.13 0.00 0.25 -0.00 0.00 0.00 178.31 178.94 3ko4 n THR 90 N -4.58 0.00 0.53 0.88 -2.24 -1.26 -3.42 114.28 104.19 3ko4 n THR 90 Ca 0.35 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.24 3ko4 n THR 90 Cb 1.37 -0.54 0.45 0.00 -2.10 0.00 0.00 70.33 69.51 3ko4 n THR 90 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3ko4 n LEU 91 N -0.98 0.48 -0.31 3.22 4.77 -0.89 -2.14 117.00 121.15 3ko4 n LEU 91 Ca 0.20 0.59 0.07 0.00 -0.03 0.00 0.00 56.01 56.85 3ko4 n LEU 91 Cb 0.09 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.68 3ko4 n LEU 91 CO 0.15 -0.35 0.23 0.49 -1.33 0.00 0.00 177.39 176.58 3ko4 n PHE 92 N -2.00 0.00 -1.64 -1.77 3.72 -1.22 -4.95 117.46 109.59 3ko4 n PHE 92 Ca 0.04 0.00 -0.62 0.00 -0.05 0.00 0.00 57.45 56.82 3ko4 n PHE 92 Cb 0.27 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.72 3ko4 n PHE 92 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ko4 n GLY 93 N 1.13 0.41 0.00 1.37 0.00 -0.91 -4.81 105.19 102.38 3ko4 n GLY 93 Ca 0.06 0.99 0.00 0.00 0.00 0.00 0.00 46.02 47.07 3ko4 n GLY 93 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ko4 n ASN 94 N 5.45 0.00 0.00 1.61 6.94 -1.26 -4.94 115.26 123.05 3ko4 n ASN 94 Ca 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.90 3ko4 n ASN 94 Cb 0.03 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.45 3ko4 n ASN 94 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 3ko4 n THR 95 N 0.00 0.00 -1.49 5.53 -1.04 -1.26 -5.04 114.28 110.97 3ko4 n THR 95 Ca 0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.61 3ko4 n THR 95 Cb 0.00 -0.71 0.02 0.00 -1.82 0.00 0.00 70.33 67.82 3ko4 n THR 95 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 3ko4 n LYS 96 N -2.49 0.71 -1.48 -2.82 2.85 -1.26 -4.65 118.16 109.02 3ko4 n LYS 96 Ca 0.00 0.26 -0.57 0.00 -1.05 0.00 0.00 58.31 56.95 3ko4 n LYS 96 Cb 0.19 -1.70 -0.08 0.00 -0.65 0.00 0.00 35.03 32.79 3ko4 n LYS 96 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 3ko4 n LYS 97 N 0.21 0.00 0.00 -1.58 4.81 -1.26 -4.74 118.16 115.60 3ko4 n LYS 97 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 3ko4 n LYS 97 Cb 0.43 -1.27 0.00 0.00 0.02 0.00 0.00 35.03 34.20 3ko4 n LYS 97 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ko4 n GLY 98 N 3.32 3.22 0.02 3.14 0.00 -1.26 -5.02 105.19 108.61 3ko4 n GLY 98 Ca 0.26 -0.27 0.15 0.00 0.00 0.00 0.00 46.02 46.16 3ko4 n GLY 98 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ko4 n ASN 99 N 0.00 0.10 -4.78 1.61 3.02 -1.26 -4.64 115.26 109.30 3ko4 n ASN 99 Ca 0.00 -0.24 -0.38 0.00 -0.03 0.00 0.00 54.58 53.93 3ko4 n ASN 99 Cb 0.00 -0.23 -0.06 0.00 -0.61 0.00 0.00 39.78 38.88 3ko4 n ASN 99 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3ko4 s LYS 100 N -2.55 4.59 0.72 3.52 2.20 -1.26 -5.08 119.74 121.88 3ko4 s LYS 100 Ca 0.29 1.26 -0.08 0.00 -0.36 0.00 0.00 55.97 57.08 3ko4 s LYS 100 Cb 0.20 -2.99 0.06 0.00 -1.51 0.00 0.00 37.83 33.60 3ko4 s LYS 100 CO 0.47 0.40 1.05 -1.25 -0.36 0.00 0.00 175.35 175.65 3ko4 s PRO 101 N -1.71 2.16 -0.11 4.03 0.04 -1.26 -4.86 135.00 133.28 3ko4 s PRO 101 Ca 0.45 -0.17 -0.08 0.00 0.04 0.00 0.00 61.00 61.24 3ko4 s PRO 101 Cb -0.21 -2.12 0.04 0.00 0.04 0.00 0.00 34.50 32.25 3ko4 s PRO 101 CO 0.25 -1.31 0.28 0.16 0.04 0.00 0.00 177.00 176.43 3ko4 s ASP 102 N -4.53 -0.30 -0.54 6.66 1.47 -1.26 -4.97 116.67 113.20 3ko4 s ASP 102 Ca 0.60 0.58 0.06 0.00 1.18 0.00 0.00 52.55 54.97 3ko4 s ASP 102 Cb -0.11 0.52 0.36 0.00 -0.34 0.00 0.00 42.92 43.35 3ko4 s ASP 102 CO 0.46 -0.14 0.97 0.49 0.68 0.00 0.00 175.17 177.63 3ko4 n PHE 103 N 3.67 3.67 -1.23 2.11 3.72 -1.26 -4.11 117.46 124.02 3ko4 n PHE 103 Ca -0.20 -3.80 0.03 0.00 -0.05 0.00 0.00 57.45 53.43 3ko4 n PHE 103 Cb 0.55 -0.40 0.22 0.00 -0.94 0.00 0.00 39.48 38.91 3ko4 n PHE 103 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3ko4 n HIS 104 N -0.26 0.88 0.00 1.38 8.25 -1.26 -4.02 115.22 120.19 3ko4 n HIS 104 Ca 0.32 -1.24 0.00 0.00 -0.26 0.00 0.00 57.72 56.54 3ko4 n HIS 104 Cb 0.46 -0.38 0.00 0.00 1.12 0.00 0.00 29.99 31.20 3ko4 n HIS 104 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3ko4 n LEU 105 N -0.92 0.00 -4.77 2.41 7.94 -1.26 -5.02 117.00 115.39 3ko4 n LEU 105 Ca 0.26 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.77 3ko4 n LEU 105 Cb 0.93 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.85 3ko4 n LEU 105 CO 0.15 0.00 0.84 0.00 -1.11 0.00 0.00 177.39 177.27 3ko4 s ALA 106 N -2.00 3.31 0.53 1.96 0.00 -1.26 -1.29 121.76 123.02 3ko4 s ALA 106 Ca 0.00 0.97 -0.21 0.00 0.00 0.00 0.00 51.96 52.72 3ko4 s ALA 106 Cb 0.00 -3.37 -0.07 0.00 0.00 0.00 0.00 23.12 19.69 3ko4 s ALA 106 CO 0.00 -0.38 1.09 1.17 0.00 0.00 0.00 175.76 177.64 3ko4 n LYS 107 N 0.62 1.27 -1.62 0.00 4.81 0.49 -4.35 118.16 119.38 3ko4 n LYS 107 Ca 0.01 0.47 -0.44 0.00 -0.87 0.00 0.00 58.31 57.48 3ko4 n LYS 107 Cb 0.45 -2.25 -0.04 0.00 0.02 0.00 0.00 35.03 33.21 3ko4 n LYS 107 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 3ko4 n GLU 108 N -0.66 2.18 0.00 1.64 0.00 -1.26 -4.67 120.64 117.87 3ko4 n GLU 108 Ca 0.11 0.71 0.00 0.00 0.00 0.00 0.00 57.16 57.98 3ko4 n GLU 108 Cb 0.44 -3.00 0.00 0.00 0.00 0.00 0.00 31.44 28.88 3ko4 n GLU 108 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 3ko4 n PRO 109 N 8.00 0.00 -0.09 5.31 -0.02 -1.26 -1.31 135.00 145.63 3ko4 n PRO 109 Ca 0.27 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.65 3ko4 n PRO 109 Cb 0.39 -1.16 -0.03 0.00 -0.02 0.00 0.00 33.50 32.68 3ko4 n PRO 109 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3ko4 n ASN 110 N -0.41 1.93 0.24 2.55 3.02 -1.26 -4.05 115.26 117.28 3ko4 n ASN 110 Ca 0.00 0.35 0.17 0.00 -0.03 0.00 0.00 54.58 55.07 3ko4 n ASN 110 Cb 0.00 -0.75 0.89 0.00 -0.61 0.00 0.00 39.78 39.30 3ko4 n ASN 110 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3ko4 h GLU 111 N -1.00 0.00 -0.11 3.52 5.08 -1.57 -2.65 114.58 117.85 3ko4 h GLU 111 Ca -0.04 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3ko4 h GLU 111 Cb 1.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 3ko4 h GLU 111 CO -0.02 0.00 -0.16 0.00 -1.00 0.00 0.00 179.01 177.82 3ko4 h ALA 112 N 1.79 0.16 -0.76 3.43 0.00 -1.57 -2.35 119.26 119.96 3ko4 h ALA 112 Ca 0.06 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3ko4 h ALA 112 Cb 0.38 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3ko4 h ALA 112 CO -0.00 0.07 0.46 1.25 0.00 0.00 0.00 179.25 181.03 3ko4 h LEU 113 N -0.13 0.92 0.20 0.00 5.85 -1.62 0.33 115.31 120.85 3ko4 h LEU 113 Ca 0.01 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.67 3ko4 h LEU 113 Cb 0.73 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 3ko4 h LEU 113 CO 0.04 0.71 -0.48 0.40 -0.34 0.00 0.00 178.44 178.76 3ko4 h ILE 114 N 1.04 0.00 -0.09 4.05 2.04 -1.56 -2.38 117.51 120.61 3ko4 h ILE 114 Ca 0.27 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.17 3ko4 h ILE 114 Cb -0.04 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 35.98 3ko4 h ILE 114 CO -0.05 0.00 -0.47 0.15 0.00 0.00 0.00 178.15 177.78 3ko4 h PHE 115 N -0.75 -1.37 -0.81 1.37 3.04 -0.82 -2.05 116.94 115.54 3ko4 h PHE 115 Ca -0.02 0.05 0.19 0.00 3.98 0.00 0.00 57.97 62.17 3ko4 h PHE 115 Cb 0.73 0.61 -0.12 0.00 2.56 0.00 0.00 35.95 39.73 3ko4 h PHE 115 CO -0.39 -0.52 0.23 -0.92 -2.02 0.00 0.00 178.31 174.69 3ko4 h TYR 116 N -0.56 0.36 -0.01 0.41 5.03 -0.33 -0.58 116.97 121.30 3ko4 h TYR 116 Ca 0.05 0.04 -0.15 0.00 2.58 0.00 0.00 58.73 61.25 3ko4 h TYR 116 Cb 0.66 -0.03 -0.02 0.00 1.55 0.00 0.00 36.73 38.89 3ko4 h TYR 116 CO -0.51 -0.10 -0.72 -0.91 -1.32 0.00 0.00 178.16 174.59 3ko4 h ASN 117 N 0.28 0.05 -0.07 -2.11 2.35 -0.89 -2.24 115.58 112.95 3ko4 h ASN 117 Ca 0.48 -0.03 0.02 0.00 -0.55 0.00 0.00 56.30 56.21 3ko4 h ASN 117 Cb 0.87 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.20 3ko4 h ASN 117 CO -0.55 0.75 -0.03 0.11 -1.65 0.00 0.00 177.43 176.06 3ko4 h LYS 118 N 0.03 -0.03 -0.70 0.81 1.57 -0.48 -2.48 116.57 115.29 3ko4 h LYS 118 Ca -0.01 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.92 3ko4 h LYS 118 Cb 1.28 0.01 -0.10 0.00 0.08 0.00 0.00 32.23 33.49 3ko4 h LYS 118 CO 0.10 -0.02 0.15 0.82 -0.57 0.00 0.00 179.45 179.93 3ko4 h ILE 119 N -0.03 0.54 -0.10 1.86 2.04 -0.79 -0.96 117.51 120.07 3ko4 h ILE 119 Ca 0.04 -0.09 -0.13 0.00 1.00 0.00 0.00 64.86 65.68 3ko4 h ILE 119 Cb 0.09 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 3ko4 h ILE 119 CO -0.09 0.05 -0.50 0.40 0.00 0.00 0.00 178.15 178.01 3ko4 h ILE 120 N 0.26 1.34 -0.14 -0.67 1.08 -1.24 0.22 117.51 118.35 3ko4 h ILE 120 Ca 0.38 -1.74 0.03 0.00 -0.39 0.00 0.00 64.86 63.14 3ko4 h ILE 120 Cb 0.63 1.82 -0.03 0.00 -3.07 0.00 0.00 36.82 36.18 3ko4 h ILE 120 CO -0.49 0.52 -0.03 0.44 -0.69 0.00 0.00 178.15 177.90 3ko4 h ASP 121 N 0.22 -0.12 -0.53 1.72 3.32 -0.92 -1.89 116.42 118.22 3ko4 h ASP 121 Ca 0.01 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3ko4 h ASP 121 Cb 0.96 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 3ko4 h ASP 121 CO 0.08 -0.04 0.27 -0.08 -1.72 0.00 0.00 179.24 177.74 3ko4 h GLU 122 N 0.01 0.77 -0.35 3.56 4.57 -0.31 0.44 114.58 123.26 3ko4 h GLU 122 Ca 0.07 -0.11 0.07 0.00 -1.18 0.00 0.00 59.36 58.21 3ko4 h GLU 122 Cb 0.10 -0.14 -0.06 0.00 -0.16 0.00 0.00 28.75 28.49 3ko4 h GLU 122 CO -0.14 0.62 -0.07 0.74 -1.18 0.00 0.00 179.01 178.98 3ko4 h PHE 123 N 0.72 -0.15 -0.39 0.92 0.04 -0.57 -0.40 116.94 117.11 3ko4 h PHE 123 Ca 0.18 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.96 3ko4 h PHE 123 Cb 0.10 0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.36 3ko4 h PHE 123 CO -0.01 -0.13 0.13 0.87 -0.60 0.00 0.00 178.31 178.57 3ko4 h LYS 124 N 0.02 0.60 0.00 1.51 1.57 -0.67 0.58 116.57 120.18 3ko4 h LYS 124 Ca 0.17 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3ko4 h LYS 124 Cb 0.26 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 3ko4 h LYS 124 CO -0.35 0.59 -0.03 -0.22 -0.57 0.00 0.00 179.45 178.87 3ko4 h LYS 125 N 0.49 0.00 0.00 3.15 3.64 0.22 0.19 116.57 124.26 3ko4 h LYS 125 Ca 0.13 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.28 3ko4 h LYS 125 Cb 0.24 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 3ko4 h LYS 125 CO -0.01 0.03 -2.15 1.04 -2.27 0.00 0.00 179.45 176.10 3ko4 n GLN 126 N -3.25 0.88 0.00 1.90 6.02 -0.19 -4.83 117.38 117.91 3ko4 n GLN 126 Ca -0.01 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 3ko4 n GLN 126 Cb 0.19 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 29.98 3ko4 n GLN 126 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3ko4 n TYR 127 N -2.53 0.00 0.00 1.08 4.19 0.17 -5.09 117.16 114.98 3ko4 n TYR 127 Ca -0.22 0.00 0.00 0.00 3.31 0.00 0.00 57.90 60.99 3ko4 n TYR 127 Cb 0.92 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.75 3ko4 n TYR 127 CO 0.00 0.00 0.00 -1.71 0.91 0.00 0.00 176.86 176.06 3ko4 n ASN 128 N -1.74 0.00 0.30 2.98 2.85 0.64 -5.02 115.26 115.27 3ko4 n ASN 128 Ca 0.00 0.00 0.19 0.00 -0.11 0.00 0.00 54.58 54.66 3ko4 n ASN 128 Cb 0.00 0.00 0.88 0.00 1.24 0.00 0.00 39.78 41.90 3ko4 n ASN 128 CO 0.00 0.00 0.00 -2.24 -2.11 0.00 0.00 177.26 172.91 3ko4 h ASP 129 N 0.00 0.00 0.83 1.20 -0.00 -1.91 -1.00 116.42 115.55 3ko4 h ASP 129 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.03 56.98 3ko4 h ASP 129 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.32 3ko4 h ASP 129 CO 0.00 0.02 -0.22 -0.78 -0.00 0.00 0.00 179.24 178.26 3ko4 h ASP 130 N 0.00 0.00 0.03 4.15 3.58 -1.97 -3.25 116.42 118.96 3ko4 h ASP 130 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3ko4 h ASP 130 Cb 0.32 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.37 3ko4 h ASP 130 CO 0.00 0.22 -0.17 0.29 -2.88 0.00 0.00 179.24 176.70 3ko4 n LYS 131 N -3.43 1.58 -3.58 0.28 4.76 -0.38 -4.61 118.16 112.78 3ko4 n LYS 131 Ca -0.00 -1.17 -0.40 0.00 -2.87 0.00 0.00 58.31 53.87 3ko4 n LYS 131 Cb 0.41 -1.48 -0.07 0.00 -1.84 0.00 0.00 35.03 32.05 3ko4 n LYS 131 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3ko4 s ILE 132 N -2.22 4.45 0.23 -0.18 -1.09 -1.23 -0.90 121.20 120.26 3ko4 s ILE 132 Ca 0.27 -3.01 -0.22 0.00 -2.23 0.00 0.00 60.65 55.46 3ko4 s ILE 132 Cb 0.20 -3.81 -0.08 0.00 -1.58 0.00 0.00 42.46 37.18 3ko4 s ILE 132 CO 0.42 -0.97 0.77 -0.54 -1.23 0.00 0.00 174.94 173.40 3ko4 s LYS 133 N -0.29 4.36 0.24 2.79 -0.14 -0.38 -5.01 119.74 121.32 3ko4 s LYS 133 Ca 0.20 1.00 0.01 0.00 -1.36 0.00 0.00 55.97 55.81 3ko4 s LYS 133 Cb -0.15 -2.92 -0.00 0.00 -1.68 0.00 0.00 37.83 33.08 3ko4 s LYS 133 CO -0.07 0.40 0.02 0.44 -0.76 0.00 0.00 175.35 175.39 3ko4 n ILE 134 N 0.82 0.00 -4.30 2.17 -5.35 -1.26 -2.92 119.36 108.52 3ko4 n ILE 134 Ca -0.02 -1.21 -0.26 0.00 -0.27 0.00 0.00 62.75 60.99 3ko4 n ILE 134 Cb 0.51 0.30 -0.08 0.00 -1.74 0.00 0.00 39.64 38.62 3ko4 n ILE 134 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3ko4 s GLY 135 N -2.37 2.41 -0.70 3.28 0.00 -1.25 -4.73 107.32 103.97 3ko4 s GLY 135 Ca 0.03 -2.13 -0.25 0.00 0.00 0.00 0.00 44.72 42.38 3ko4 s GLY 135 CO 0.02 -1.98 1.12 0.54 0.00 0.00 0.00 173.10 172.81 3ko4 s LYS 136 N -3.85 3.15 -0.07 2.90 -0.14 -1.26 -4.96 119.74 115.51 3ko4 s LYS 136 Ca 0.38 -0.55 -0.33 0.00 -1.36 0.00 0.00 55.97 54.11 3ko4 s LYS 136 Cb 0.06 -4.21 -0.11 0.00 -1.68 0.00 0.00 37.83 31.88 3ko4 s LYS 136 CO 0.21 -1.98 1.92 0.34 -0.76 0.00 0.00 175.35 175.08 3ko4 n PHE 137 N 8.53 2.34 -1.00 3.18 7.35 -1.26 -1.85 117.46 134.75 3ko4 n PHE 137 Ca -0.00 -0.09 -0.00 0.00 -0.76 0.00 0.00 57.45 56.60 3ko4 n PHE 137 Cb 0.47 -2.70 -0.00 0.00 0.35 0.00 0.00 39.48 37.61 3ko4 n PHE 137 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3ko4 n GLY 138 N 4.54 0.45 3.94 7.13 0.00 -1.26 -5.04 105.19 114.94 3ko4 n GLY 138 Ca 0.23 -0.50 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 3ko4 n GLY 138 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ko4 s ASN 139 N -2.45 5.42 0.01 1.61 0.02 -0.77 -5.09 114.94 113.69 3ko4 s ASN 139 Ca 0.00 -0.52 -0.30 0.00 -1.02 0.00 0.00 52.86 51.01 3ko4 s ASN 139 Cb 0.00 -0.74 -0.04 0.00 0.02 0.00 0.00 41.25 40.49 3ko4 s ASN 139 CO 0.00 -0.62 1.14 -0.47 0.02 0.00 0.00 177.10 177.17 3ko4 s TYR 140 N -2.37 3.43 0.18 2.20 5.04 -1.26 -4.99 117.35 119.59 3ko4 s TYR 140 Ca 0.49 1.38 0.08 0.00 -2.44 0.00 0.00 57.07 56.58 3ko4 s TYR 140 Cb -0.07 -3.34 -0.04 0.00 0.35 0.00 0.00 41.96 38.85 3ko4 s TYR 140 CO 0.30 -0.96 -0.16 -1.64 -1.34 0.00 0.00 175.55 171.74 3ko4 s MET 141 N 1.34 1.28 -0.14 4.97 -1.94 -1.26 -4.56 119.30 118.99 3ko4 s MET 141 Ca 0.56 -1.47 -0.01 0.00 -1.71 0.00 0.00 55.69 53.07 3ko4 s MET 141 Cb -0.26 -1.22 0.04 0.00 2.01 0.00 0.00 34.83 35.39 3ko4 s MET 141 CO 0.27 0.23 -0.05 1.21 -0.01 0.00 0.00 175.02 176.67 3ko4 s ASN 142 N -2.91 2.50 -0.26 3.03 3.04 -0.84 -4.98 114.94 114.53 3ko4 s ASN 142 Ca 0.18 -0.49 0.02 0.00 0.04 0.00 0.00 52.86 52.61 3ko4 s ASN 142 Cb -0.04 -0.84 0.06 0.00 -1.54 0.00 0.00 41.25 38.89 3ko4 s ASN 142 CO 0.07 -0.17 -0.10 -0.63 -3.04 0.00 0.00 177.10 173.23 3ko4 s ILE 143 N 1.70 2.26 -0.15 -5.21 1.01 -1.26 -1.06 121.20 118.49 3ko4 s ILE 143 Ca 0.03 -1.56 -0.29 0.00 0.00 0.00 0.00 60.65 58.82 3ko4 s ILE 143 Cb -0.14 -2.30 -0.02 0.00 0.01 0.00 0.00 42.46 40.00 3ko4 s ILE 143 CO -0.08 -0.00 1.34 -1.81 0.00 0.00 0.00 174.94 174.39 3ko4 s ASP 144 N 1.13 6.89 -0.03 3.58 1.11 -0.77 -4.91 116.67 123.67 3ko4 s ASP 144 Ca -0.08 1.79 0.07 0.00 0.18 0.00 0.00 52.55 54.51 3ko4 s ASP 144 Cb -0.20 -2.54 -0.02 0.00 1.07 0.00 0.00 42.92 41.24 3ko4 s ASP 144 CO -0.05 -0.80 -0.23 -0.69 1.18 0.00 0.00 175.17 174.58 3ko4 s VAL 145 N 3.61 2.25 -0.98 -1.27 1.01 -1.26 -0.66 120.40 123.10 3ko4 s VAL 145 Ca 0.58 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.50 3ko4 s VAL 145 Cb -0.24 -1.81 0.25 0.00 0.00 0.00 0.00 36.38 34.58 3ko4 s VAL 145 CO 0.17 0.58 0.93 0.41 0.00 0.00 0.00 175.10 177.19 3ko4 n THR 146 N 2.52 3.64 -1.71 3.92 -1.04 -0.29 -5.01 114.28 116.30 3ko4 n THR 146 Ca -0.16 -5.24 -0.43 0.00 -2.04 0.00 0.00 64.05 56.18 3ko4 n THR 146 Cb 0.51 -2.44 -0.02 0.00 -1.82 0.00 0.00 70.33 66.57 3ko4 n THR 146 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3ko4 n ASN 147 N 2.37 3.29 -3.97 8.00 3.02 -1.26 -0.81 115.26 125.90 3ko4 n ASN 147 Ca 0.23 1.16 -0.31 0.00 -0.03 0.00 0.00 54.58 55.63 3ko4 n ASN 147 Cb 0.38 -1.52 -0.15 0.00 -0.61 0.00 0.00 39.78 37.88 3ko4 n ASN 147 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3ko4 s ASP 148 N 0.26 4.58 0.00 6.41 2.15 -0.88 -4.71 116.67 124.49 3ko4 s ASP 148 Ca 0.64 -2.25 0.00 0.00 0.43 0.00 0.00 52.55 51.37 3ko4 s ASP 148 Cb -0.56 -1.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.53 3ko4 s ASP 148 CO 0.52 -0.36 0.00 0.61 -0.17 0.00 0.00 175.17 175.77 3ko4 n GLY 149 N 4.12 2.21 3.85 2.66 0.00 -1.26 -3.45 105.19 113.32 3ko4 n GLY 149 Ca 0.04 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 3ko4 n GLY 149 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ko4 s PRO 150 N 0.00 1.42 -0.08 1.61 0.04 -1.26 -5.17 135.00 131.56 3ko4 s PRO 150 Ca 0.00 0.15 -0.01 0.00 0.04 0.00 0.00 61.00 61.18 3ko4 s PRO 150 Cb 0.00 -1.88 0.03 0.00 0.04 0.00 0.00 34.50 32.68 3ko4 s PRO 150 CO 0.00 -1.98 -0.03 0.08 0.04 0.00 0.00 177.00 175.12 3ko4 s VAL 151 N -3.46 0.59 -0.26 -0.36 1.01 -1.22 -5.06 120.40 111.64 3ko4 s VAL 151 Ca 0.64 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.59 3ko4 s VAL 151 Cb -0.12 -0.68 0.07 0.00 0.00 0.00 0.00 36.38 35.65 3ko4 s VAL 151 CO 0.51 0.28 -0.02 -0.89 0.00 0.00 0.00 175.10 174.99 3ko4 s THR 152 N 1.70 1.49 -0.15 3.92 2.01 -1.26 -2.49 115.64 120.85 3ko4 s THR 152 Ca 0.02 -1.35 -0.14 0.00 0.31 0.00 0.00 61.69 60.52 3ko4 s THR 152 Cb -0.13 -1.85 -0.05 0.00 0.01 0.00 0.00 72.50 70.48 3ko4 s THR 152 CO -0.05 -0.25 0.32 -0.63 -0.69 0.00 0.00 174.62 173.32 3ko4 s ILE 153 N 1.39 5.29 -0.09 1.82 -1.09 -0.46 -4.93 121.20 123.13 3ko4 s ILE 153 Ca -0.01 0.60 -0.02 0.00 -2.23 0.00 0.00 60.65 58.99 3ko4 s ILE 153 Cb -0.19 -3.66 -0.03 0.00 -1.58 0.00 0.00 42.46 37.00 3ko4 s ILE 153 CO -0.09 0.39 0.01 -0.47 -1.23 0.00 0.00 174.94 173.55 3ko4 s TYR 154 N 0.45 3.19 -0.05 3.97 6.14 -1.26 -0.31 117.35 129.48 3ko4 s TYR 154 Ca 0.18 0.22 -0.03 0.00 0.64 0.00 0.00 57.07 58.07 3ko4 s TYR 154 Cb -0.13 -1.80 0.02 0.00 0.42 0.00 0.00 41.96 40.47 3ko4 s TYR 154 CO 0.05 0.49 0.11 0.42 0.64 0.00 0.00 175.55 177.26 3ko4 s ILE 155 N -0.90 -0.02 -0.05 3.14 1.01 -0.30 -5.00 121.20 119.08 3ko4 s ILE 155 Ca 0.14 0.07 -0.01 0.00 0.00 0.00 0.00 60.65 60.84 3ko4 s ILE 155 Cb -0.11 -0.17 0.03 0.00 0.01 0.00 0.00 42.46 42.21 3ko4 s ILE 155 CO 0.03 0.03 0.01 -0.62 0.00 0.00 0.00 174.94 174.39 3ko4 s ASP 156 N 0.44 1.21 0.00 3.58 2.15 -1.26 -1.21 116.67 121.57 3ko4 s ASP 156 Ca -0.03 -0.03 0.27 0.00 0.43 0.00 0.00 52.55 53.18 3ko4 s ASP 156 Cb -0.05 -0.32 1.28 0.00 -0.30 0.00 0.00 42.92 43.54 3ko4 s ASP 156 CO -0.02 -0.18 1.86 0.35 -0.17 0.00 0.00 175.17 177.01 3ko4 n THR 157 N 4.93 0.04 0.73 1.71 -2.24 -0.81 -3.01 114.28 115.62 3ko4 n THR 157 Ca -0.11 -0.15 0.12 0.00 -2.27 0.00 0.00 64.05 61.64 3ko4 n THR 157 Cb 0.50 0.05 0.25 0.00 -2.10 0.00 0.00 70.33 69.03 3ko4 n THR 157 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3ko4 n HIS 158 N -0.31 0.39 0.36 4.78 8.25 -1.26 -3.45 115.22 123.97 3ko4 n HIS 158 Ca 0.19 0.11 0.05 0.00 -0.26 0.00 0.00 57.72 57.82 3ko4 n HIS 158 Cb 0.23 -0.56 0.22 0.00 1.12 0.00 0.00 29.99 31.00 3ko4 n HIS 158 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3ko4 n ASP 159 N -1.91 0.00 0.00 0.41 8.00 -1.16 -5.16 116.55 116.73 3ko4 n ASP 159 Ca 0.04 0.50 0.00 0.00 0.71 0.00 0.00 54.79 56.04 3ko4 n ASP 159 Cb 0.40 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 3ko4 n ASP 159 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43