#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ag9 h ILE 3 N 0.00 1.24 -3.55 0.00 6.09 -1.79 -3.44 117.51 116.06 1ag9 h ILE 3 Ca 0.00 -1.15 -0.67 0.00 -1.37 0.00 0.00 64.86 61.67 1ag9 h ILE 3 Cb 0.00 1.50 -0.22 0.00 0.47 0.00 0.00 36.82 38.57 1ag9 h ILE 3 CO 0.00 0.34 -0.72 -0.89 -3.07 0.00 0.00 178.15 173.81 1ag9 s THR 4 N -4.39 3.47 -0.20 2.19 2.01 -0.45 -3.79 115.64 114.49 1ag9 s THR 4 Ca -0.04 -0.54 0.01 0.00 0.31 0.00 0.00 61.69 61.43 1ag9 s THR 4 Cb 0.14 -2.44 0.02 0.00 0.01 0.00 0.00 72.50 70.23 1ag9 s THR 4 CO 0.74 0.55 -0.17 -0.83 -0.69 0.00 0.00 174.62 174.22 1ag9 s GLY 5 N -0.23 1.45 -0.27 4.40 0.00 -0.17 -0.81 107.32 111.69 1ag9 s GLY 5 Ca 0.02 -1.30 -0.13 0.00 0.00 0.00 0.00 44.72 43.31 1ag9 s GLY 5 CO 0.03 0.34 0.30 -0.42 0.00 0.00 0.00 173.10 173.35 1ag9 s ILE 6 N 1.28 5.23 -0.16 0.90 1.01 0.10 -1.10 121.20 128.46 1ag9 s ILE 6 Ca 0.03 0.41 0.02 0.00 0.00 0.00 0.00 60.65 61.10 1ag9 s ILE 6 Cb -0.14 -3.63 0.01 0.00 0.01 0.00 0.00 42.46 38.71 1ag9 s ILE 6 CO -0.11 0.20 -0.20 -0.36 0.00 0.00 0.00 174.94 174.47 1ag9 s PHE 7 N 1.93 2.73 0.22 3.97 0.40 0.27 0.10 117.98 127.61 1ag9 s PHE 7 Ca 0.12 -1.36 0.04 0.00 -0.60 0.00 0.00 56.93 55.12 1ag9 s PHE 7 Cb -0.16 -1.86 -0.05 0.00 0.51 0.00 0.00 43.02 41.46 1ag9 s PHE 7 CO 0.10 -0.64 -0.02 -0.59 0.70 0.00 0.00 175.22 174.77 1ag9 s PHE 8 N 0.96 1.54 0.02 0.36 -0.71 -0.04 -0.74 117.98 119.37 1ag9 s PHE 8 Ca -0.03 -0.89 0.04 0.00 -1.04 0.00 0.00 56.93 55.01 1ag9 s PHE 8 Cb -0.15 -0.88 -0.02 0.00 -1.21 0.00 0.00 43.02 40.77 1ag9 s PHE 8 CO -0.05 -0.00 -0.12 0.20 -1.34 0.00 0.00 175.22 173.91 1ag9 s GLY 9 N -3.29 0.64 -0.28 1.99 0.00 -0.92 -0.08 107.32 105.38 1ag9 s GLY 9 Ca 0.27 -0.64 -0.21 0.00 0.00 0.00 0.00 44.72 44.13 1ag9 s GLY 9 CO 0.08 -0.59 0.74 -0.45 0.00 0.00 0.00 173.10 172.87 1ag9 s SER 10 N -0.73 -0.80 -0.24 1.64 0.15 -1.26 -4.33 113.70 108.14 1ag9 s SER 10 Ca 0.02 1.41 -0.00 0.00 0.70 0.00 0.00 55.95 58.08 1ag9 s SER 10 Cb -0.06 1.39 -0.18 0.00 -1.71 0.00 0.00 66.02 65.46 1ag9 s SER 10 CO 0.00 -0.23 -0.13 0.47 1.20 0.00 0.00 173.24 174.55 1ag9 n ASP 11 N 3.31 2.00 -0.35 5.45 8.00 -1.26 -4.64 116.55 129.06 1ag9 n ASP 11 Ca -0.16 -0.05 0.03 0.00 0.71 0.00 0.00 54.79 55.32 1ag9 n ASP 11 Cb 0.57 -0.51 0.08 0.00 -0.02 0.00 0.00 41.12 41.23 1ag9 n ASP 11 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1ag9 n THR 12 N -3.35 0.77 -0.04 -3.53 -2.24 -1.26 -5.01 114.28 99.61 1ag9 n THR 12 Ca -0.44 -0.89 0.00 0.00 -2.27 0.00 0.00 64.05 60.46 1ag9 n THR 12 Cb 0.99 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.87 1ag9 n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ag9 n GLY 13 N 0.16 0.64 0.08 3.38 0.00 -1.26 -4.97 105.19 103.22 1ag9 n GLY 13 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 1ag9 n GLY 13 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ag9 h ASN 14 N 0.00 0.13 0.82 1.61 -0.26 -1.96 -1.17 115.58 114.75 1ag9 h ASN 14 Ca 0.00 -0.30 -0.06 0.00 -0.56 0.00 0.00 56.30 55.38 1ag9 h ASN 14 Cb 0.00 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.22 1ag9 h ASN 14 CO 0.00 0.40 -0.28 0.74 -1.06 0.00 0.00 177.43 177.23 1ag9 h THR 15 N -0.15 0.70 -0.46 2.81 2.02 -1.93 -1.89 112.91 114.01 1ag9 h THR 15 Ca 0.02 -1.22 -0.13 0.00 0.77 0.00 0.00 66.41 65.85 1ag9 h THR 15 Cb 0.33 1.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 1ag9 h THR 15 CO 0.00 0.27 -0.21 -0.08 0.37 0.00 0.00 175.52 175.87 1ag9 h GLU 16 N 0.00 0.96 -0.51 6.66 4.81 -1.77 -1.52 114.58 123.20 1ag9 h GLU 16 Ca -0.00 -0.42 -0.12 0.00 -0.13 0.00 0.00 59.36 58.69 1ag9 h GLU 16 Cb 0.76 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 1ag9 h GLU 16 CO 0.04 1.09 -0.14 -0.97 -0.73 0.00 0.00 179.01 178.29 1ag9 h ASN 17 N 0.81 0.99 -0.50 1.04 -1.24 -0.67 -2.59 115.58 113.42 1ag9 h ASN 17 Ca 0.10 -0.34 -0.05 0.00 0.71 0.00 0.00 56.30 56.73 1ag9 h ASN 17 Cb 0.79 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.55 1ag9 h ASN 17 CO 0.07 1.12 0.12 0.40 -1.29 0.00 0.00 177.43 177.85 1ag9 h ILE 18 N 0.87 1.24 -0.90 2.57 1.08 -1.22 -0.43 117.51 120.72 1ag9 h ILE 18 Ca 0.13 -0.84 0.08 0.00 -0.39 0.00 0.00 64.86 63.84 1ag9 h ILE 18 Cb 0.70 0.84 -0.07 0.00 -3.07 0.00 0.00 36.82 35.22 1ag9 h ILE 18 CO 0.05 0.30 0.56 0.00 -0.69 0.00 0.00 178.15 178.38 1ag9 h ALA 19 N 0.99 1.27 0.00 1.87 0.00 -1.13 -0.31 119.26 121.95 1ag9 h ALA 19 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 1ag9 h ALA 19 Cb 0.33 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1ag9 h ALA 19 CO 0.00 0.27 -0.61 0.87 0.00 0.00 0.00 179.25 179.79 1ag9 h LYS 20 N 0.99 0.00 -0.38 0.00 1.57 -1.07 -2.13 116.57 115.55 1ag9 h LYS 20 Ca 0.41 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 59.06 1ag9 h LYS 20 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1ag9 h LYS 20 CO -0.20 0.61 -0.30 0.52 -0.57 0.00 0.00 179.45 179.51 1ag9 h MET 21 N 0.00 0.82 -0.26 3.15 2.86 0.12 -0.85 114.93 120.76 1ag9 h MET 21 Ca -0.01 -0.37 -0.09 0.00 -2.06 0.00 0.00 59.70 57.17 1ag9 h MET 21 Cb 1.16 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.80 1ag9 h MET 21 CO 0.08 1.01 -0.19 0.82 1.06 0.00 0.00 176.91 179.69 1ag9 h ILE 22 N 0.69 1.31 -0.62 -1.22 2.04 -1.02 -2.07 117.51 116.62 1ag9 h ILE 22 Ca 0.08 -1.32 -0.08 0.00 1.00 0.00 0.00 64.86 64.53 1ag9 h ILE 22 Cb 0.84 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 38.48 1ag9 h ILE 22 CO 0.07 0.42 0.06 -0.61 0.00 0.00 0.00 178.15 178.09 1ag9 h GLN 23 N 0.32 1.04 -0.21 2.37 4.15 -1.32 -0.06 115.11 121.40 1ag9 h GLN 23 Ca 0.05 -0.29 -0.04 0.00 0.77 0.00 0.00 58.65 59.14 1ag9 h GLN 23 Cb 0.73 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.29 1ag9 h GLN 23 CO 0.05 0.98 -0.07 -0.22 -1.93 0.00 0.00 178.83 177.64 1ag9 h LYS 24 N 0.96 0.33 0.06 1.69 3.64 -1.08 0.54 116.57 122.71 1ag9 h LYS 24 Ca 0.18 -0.07 -0.24 0.00 -1.27 0.00 0.00 60.65 59.26 1ag9 h LYS 24 Cb 0.47 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1ag9 h LYS 24 CO 0.02 0.41 -1.12 0.37 -2.27 0.00 0.00 179.45 176.86 1ag9 h GLN 25 N 0.31 0.12 0.00 1.90 4.15 -0.87 -3.27 115.11 117.46 1ag9 h GLN 25 Ca 0.07 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.28 1ag9 h GLN 25 Cb 0.32 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.09 1ag9 h GLN 25 CO 0.01 1.09 -0.60 1.28 -1.93 0.00 0.00 178.83 178.69 1ag9 n LEU 26 N -3.42 0.68 0.00 -2.39 4.77 -0.08 -5.05 117.00 111.50 1ag9 n LEU 26 Ca -0.04 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1ag9 n LEU 26 Cb 0.98 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.87 1ag9 n LEU 26 CO 0.50 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1ag9 n GLY 27 N 1.35 -1.55 0.34 -0.72 0.00 0.19 -4.16 105.19 100.63 1ag9 n GLY 27 Ca 0.04 -1.12 0.19 0.00 0.00 0.00 0.00 46.02 45.12 1ag9 n GLY 27 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ag9 h LYS 28 N 0.00 0.00 0.00 1.61 2.10 -1.76 0.26 116.57 118.77 1ag9 h LYS 28 Ca 0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.56 1ag9 h LYS 28 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1ag9 h LYS 28 CO 0.00 0.00 -0.41 0.38 -2.00 0.00 0.00 179.45 177.42 1ag9 h ASP 29 N 0.00 0.00 0.08 7.07 2.03 -1.90 -3.30 116.42 120.40 1ag9 h ASP 29 Ca 0.03 0.00 -0.37 0.00 -0.73 0.00 0.00 57.03 55.95 1ag9 h ASP 29 Cb 0.40 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.86 1ag9 h ASP 29 CO -0.00 0.41 -2.15 0.52 -1.03 0.00 0.00 179.24 176.99 1ag9 n VAL 30 N -3.45 1.68 -5.00 4.15 0.31 0.76 -4.56 118.33 112.22 1ag9 n VAL 30 Ca 0.00 -0.62 -0.29 0.00 -0.01 0.00 0.00 64.34 63.43 1ag9 n VAL 30 Cb 0.57 -1.64 -0.16 0.00 -0.91 0.00 0.00 33.84 31.70 1ag9 n VAL 30 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ag9 s ALA 31 N -2.54 1.80 -0.12 3.52 0.00 -0.36 -1.35 121.76 122.71 1ag9 s ALA 31 Ca -0.27 -0.82 -0.08 0.00 0.00 0.00 0.00 51.96 50.80 1ag9 s ALA 31 Cb 0.07 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 1ag9 s ALA 31 CO 0.71 0.30 0.15 -0.51 0.00 0.00 0.00 175.76 176.42 1ag9 s ASP 32 N 0.10 6.39 -0.17 0.00 1.01 0.01 -4.42 116.67 119.58 1ag9 s ASP 32 Ca -0.08 0.47 -0.06 0.00 0.71 0.00 0.00 52.55 53.59 1ag9 s ASP 32 Cb -0.14 -2.08 -0.04 0.00 1.01 0.00 0.00 42.92 41.67 1ag9 s ASP 32 CO 0.04 0.37 0.04 -0.69 0.21 0.00 0.00 175.17 175.14 1ag9 s VAL 33 N -0.84 4.59 -0.00 -1.27 1.01 -1.26 0.00 120.40 122.62 1ag9 s VAL 33 Ca 0.15 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.04 1ag9 s VAL 33 Cb -0.12 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 1ag9 s VAL 33 CO 0.04 0.48 -0.06 -1.00 0.00 0.00 0.00 175.10 174.55 1ag9 s HIS 34 N 0.28 0.56 -0.25 5.22 3.76 0.12 -4.96 115.29 120.02 1ag9 s HIS 34 Ca 0.02 -0.11 -0.19 0.00 -0.15 0.00 0.00 55.06 54.63 1ag9 s HIS 34 Cb -0.13 -0.36 -0.03 0.00 1.11 0.00 0.00 32.58 33.18 1ag9 s HIS 34 CO 0.01 -0.01 0.55 0.34 -0.85 0.00 0.00 174.74 174.78 1ag9 s ASP 35 N -0.18 6.49 0.61 1.40 -1.08 -1.26 -0.86 116.67 121.79 1ag9 s ASP 35 Ca 0.02 0.60 0.30 0.00 -0.52 0.00 0.00 52.55 52.95 1ag9 s ASP 35 Cb -0.03 -2.30 1.71 0.00 -1.46 0.00 0.00 42.92 40.85 1ag9 s ASP 35 CO -0.00 -0.30 2.08 -0.29 0.52 0.00 0.00 175.17 177.18 1ag9 h ILE 36 N 5.37 0.35 -0.14 4.11 6.09 -0.83 -0.76 117.51 131.71 1ag9 h ILE 36 Ca -0.29 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.20 1ag9 h ILE 36 Cb 1.14 0.81 -0.01 0.00 0.47 0.00 0.00 36.82 39.23 1ag9 h ILE 36 CO 0.74 0.00 0.08 0.00 -3.07 0.00 0.00 178.15 175.90 1ag9 h ALA 37 N 1.70 1.88 -0.32 0.18 0.00 -1.88 -1.66 119.26 119.17 1ag9 h ALA 37 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ag9 h ALA 37 Cb 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1ag9 h ALA 37 CO -0.00 0.11 0.00 1.63 0.00 0.00 0.00 179.25 180.99 1ag9 n LYS 38 N -4.50 2.22 -3.14 0.00 4.01 -0.31 -5.03 118.16 111.40 1ag9 n LYS 38 Ca -0.01 -1.97 -0.26 0.00 -0.51 0.00 0.00 58.31 55.56 1ag9 n LYS 38 Cb 0.09 -1.35 -0.01 0.00 -0.51 0.00 0.00 35.03 33.25 1ag9 n LYS 38 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1ag9 s SER 39 N -1.11 6.33 0.39 4.39 0.01 -0.63 -5.02 113.70 118.06 1ag9 s SER 39 Ca 0.27 0.67 0.08 0.00 1.31 0.00 0.00 55.95 58.28 1ag9 s SER 39 Cb 0.15 -2.13 -0.06 0.00 0.21 0.00 0.00 66.02 64.19 1ag9 s SER 39 CO 0.21 -0.35 0.05 -0.94 0.41 0.00 0.00 173.24 172.62 1ag9 s SER 40 N -3.83 4.11 0.25 2.44 1.04 -1.26 -5.01 113.70 111.45 1ag9 s SER 40 Ca 0.43 -1.16 -0.06 0.00 0.48 0.00 0.00 55.95 55.64 1ag9 s SER 40 Cb -0.10 -0.46 0.27 0.00 0.10 0.00 0.00 66.02 65.83 1ag9 s SER 40 CO 0.37 -0.40 1.90 0.50 0.98 0.00 0.00 173.24 176.59 1ag9 h LYS 41 N 1.70 1.26 -0.38 4.02 3.64 -2.00 -2.05 116.57 122.76 1ag9 h LYS 41 Ca -0.43 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 58.81 1ag9 h LYS 41 Cb 1.25 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 1ag9 h LYS 41 CO 0.73 0.87 0.09 0.93 -2.27 0.00 0.00 179.45 179.80 1ag9 h GLU 42 N 1.28 0.56 -0.38 1.90 3.07 -1.98 -2.32 114.58 116.71 1ag9 h GLU 42 Ca 0.33 -0.09 0.01 0.00 -0.50 0.00 0.00 59.36 59.12 1ag9 h GLU 42 Cb -0.06 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.73 1ag9 h GLU 42 CO -0.06 0.52 0.23 -0.44 -1.40 0.00 0.00 179.01 177.85 1ag9 h ASP 43 N 0.55 0.38 -0.36 1.42 3.32 -1.76 -2.00 116.42 117.96 1ag9 h ASP 43 Ca 0.13 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 1ag9 h ASP 43 Cb 0.21 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1ag9 h ASP 43 CO -0.00 0.27 -0.16 -0.07 -1.72 0.00 0.00 179.24 177.56 1ag9 h LEU 44 N 0.47 0.77 -1.67 1.55 4.07 -1.46 -2.89 115.31 116.14 1ag9 h LEU 44 Ca 0.15 -0.40 0.00 0.00 0.08 0.00 0.00 57.88 57.71 1ag9 h LEU 44 Cb -0.01 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.52 1ag9 h LEU 44 CO -0.06 1.00 0.00 -0.33 -1.08 0.00 0.00 178.44 177.97 1ag9 h GLU 45 N 0.54 0.00 0.00 1.13 5.08 -1.19 -2.37 114.58 117.77 1ag9 h GLU 45 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1ag9 h GLU 45 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1ag9 h GLU 45 CO 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.06 1ag9 n ALA 46 N -1.89 2.53 -2.68 3.43 0.00 -0.77 -4.76 120.51 116.37 1ag9 n ALA 46 Ca -0.01 -0.17 -0.19 0.00 0.00 0.00 0.00 53.44 53.07 1ag9 n ALA 46 Cb 0.12 -1.46 -0.13 0.00 0.00 0.00 0.00 19.45 17.98 1ag9 n ALA 46 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1ag9 s TYR 47 N -2.08 1.19 -1.41 0.00 1.51 -0.89 -5.02 117.35 110.65 1ag9 s TYR 47 Ca 0.40 -0.40 0.13 0.00 -1.01 0.00 0.00 57.07 56.20 1ag9 s TYR 47 Cb 0.19 -0.69 0.22 0.00 -0.11 0.00 0.00 41.96 41.58 1ag9 s TYR 47 CO 0.34 0.04 1.09 -0.25 -1.11 0.00 0.00 175.55 175.67 1ag9 n ASP 48 N 1.63 2.56 -3.67 2.29 8.00 -1.26 -4.80 116.55 121.30 1ag9 n ASP 48 Ca -0.19 -1.75 -0.26 0.00 0.71 0.00 0.00 54.79 53.29 1ag9 n ASP 48 Cb 0.54 -0.12 -0.17 0.00 -0.02 0.00 0.00 41.12 41.35 1ag9 n ASP 48 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ag9 s ILE 49 N -1.06 0.20 -0.06 0.53 1.01 -1.25 -1.08 121.20 119.49 1ag9 s ILE 49 Ca 0.21 -0.31 0.06 0.00 0.00 0.00 0.00 60.65 60.60 1ag9 s ILE 49 Cb 0.13 -0.77 -0.01 0.00 0.01 0.00 0.00 42.46 41.82 1ag9 s ILE 49 CO 0.18 -0.22 -0.24 -0.76 0.00 0.00 0.00 174.94 173.90 1ag9 s LEU 50 N 2.01 2.13 -0.27 2.97 1.43 -0.27 -1.00 118.68 125.69 1ag9 s LEU 50 Ca 0.01 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 1ag9 s LEU 50 Cb -0.16 -1.39 0.05 0.00 0.03 0.00 0.00 46.19 44.71 1ag9 s LEU 50 CO -0.08 0.25 -0.07 -0.76 0.23 0.00 0.00 176.35 175.91 1ag9 s LEU 51 N -0.16 3.45 -0.25 1.79 1.43 -0.26 -1.87 118.68 122.81 1ag9 s LEU 51 Ca -0.03 -1.19 -0.08 0.00 -1.03 0.00 0.00 54.13 51.79 1ag9 s LEU 51 Cb -0.14 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 1ag9 s LEU 51 CO 0.04 -0.19 0.11 -0.76 0.23 0.00 0.00 176.35 175.78 1ag9 s LEU 52 N 1.21 3.65 -0.19 1.79 1.43 -0.75 -0.56 118.68 125.26 1ag9 s LEU 52 Ca -0.05 -0.12 -0.07 0.00 -1.03 0.00 0.00 54.13 52.86 1ag9 s LEU 52 Cb -0.19 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 1ag9 s LEU 52 CO -0.04 -0.02 0.05 -0.83 0.23 0.00 0.00 176.35 175.73 1ag9 s GLY 53 N 1.57 1.85 -0.19 -3.19 0.00 0.08 -1.18 107.32 106.26 1ag9 s GLY 53 Ca 0.06 -0.82 -0.04 0.00 0.00 0.00 0.00 44.72 43.92 1ag9 s GLY 53 CO 0.06 0.12 0.30 -1.50 0.00 0.00 0.00 173.10 172.07 1ag9 s ILE 54 N 0.58 -0.47 0.58 0.90 2.07 0.15 -2.16 121.20 122.86 1ag9 s ILE 54 Ca 0.02 0.06 -0.08 0.00 -1.41 0.00 0.00 60.65 59.24 1ag9 s ILE 54 Cb -0.13 -0.64 -0.02 0.00 0.13 0.00 0.00 42.46 41.80 1ag9 s ILE 54 CO 0.01 -0.05 0.93 -2.16 -1.91 0.00 0.00 174.94 171.77 1ag9 s PRO 55 N 2.45 3.32 -0.16 3.50 0.04 -1.26 -3.83 135.00 139.05 1ag9 s PRO 55 Ca 0.06 0.36 -0.06 0.00 0.04 0.00 0.00 61.00 61.40 1ag9 s PRO 55 Cb -0.14 -2.21 -0.03 0.00 0.04 0.00 0.00 34.50 32.16 1ag9 s PRO 55 CO -0.12 -0.55 0.02 0.99 0.04 0.00 0.00 177.00 177.38 1ag9 s THR 56 N -3.02 4.40 0.23 1.26 2.01 -0.94 -2.51 115.64 117.07 1ag9 s THR 56 Ca 0.53 -0.18 0.03 0.00 0.31 0.00 0.00 61.69 62.38 1ag9 s THR 56 Cb -0.11 -2.95 -0.05 0.00 0.01 0.00 0.00 72.50 69.40 1ag9 s THR 56 CO 0.49 0.49 0.02 0.26 -0.69 0.00 0.00 174.62 175.19 1ag9 s TRP 57 N 0.26 1.52 -1.27 4.92 0.52 0.30 -4.85 118.94 120.34 1ag9 s TRP 57 Ca 0.01 -1.00 -0.30 0.00 0.02 0.00 0.00 56.10 54.84 1ag9 s TRP 57 Cb -0.13 -0.89 0.04 0.00 -1.15 0.00 0.00 33.47 31.34 1ag9 s TRP 57 CO 0.01 -0.13 0.58 0.98 0.02 0.00 0.00 176.95 178.42 1ag9 n TYR 58 N -0.41 -1.38 -3.25 -1.98 9.36 -1.26 -0.34 117.16 117.90 1ag9 n TYR 58 Ca -0.04 0.15 -0.11 0.00 3.32 0.00 0.00 57.90 61.22 1ag9 n TYR 58 Cb 0.64 -2.80 0.03 0.00 -0.63 0.00 0.00 39.34 36.58 1ag9 n TYR 58 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1ag9 n TYR 59 N -4.99 -2.61 -0.57 2.98 4.01 -1.26 -3.96 117.16 110.77 1ag9 n TYR 59 Ca -0.14 0.93 0.00 0.00 -0.16 0.00 0.00 57.90 58.53 1ag9 n TYR 59 Cb 0.58 -3.97 0.00 0.00 -0.31 0.00 0.00 39.34 35.64 1ag9 n TYR 59 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ag9 n GLY 60 N -1.54 0.71 3.91 2.72 0.00 -1.21 -5.05 105.19 104.73 1ag9 n GLY 60 Ca -0.06 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 1ag9 n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ag9 s GLU 61 N -0.48 3.60 0.48 1.61 0.41 0.54 -4.53 118.70 120.33 1ag9 s GLU 61 Ca 0.00 -0.13 -0.22 0.00 -0.41 0.00 0.00 54.97 54.21 1ag9 s GLU 61 Cb 0.00 -2.80 -0.07 0.00 -1.78 0.00 0.00 34.13 29.48 1ag9 s GLU 61 CO 0.00 0.40 1.17 0.00 -0.49 0.00 0.00 175.26 176.34 1ag9 s ALA 62 N -1.79 2.90 0.23 5.21 0.00 -1.26 -0.54 121.76 126.51 1ag9 s ALA 62 Ca 0.41 0.94 -0.31 0.00 0.00 0.00 0.00 51.96 53.01 1ag9 s ALA 62 Cb -0.12 -3.39 -0.14 0.00 0.00 0.00 0.00 23.12 19.47 1ag9 s ALA 62 CO 0.27 -0.74 1.22 0.94 0.00 0.00 0.00 175.76 177.44 1ag9 n GLN 63 N -0.71 1.56 -0.31 0.00 0.00 -1.04 -4.60 117.38 112.29 1ag9 n GLN 63 Ca 0.08 0.55 0.16 0.00 -0.00 0.00 0.00 57.00 57.80 1ag9 n GLN 63 Cb 0.48 -2.08 0.34 0.00 0.00 0.00 0.00 30.24 28.98 1ag9 n GLN 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ag9 h ASP 65 N 0.21 0.85 -0.66 0.00 3.32 -1.96 -0.58 116.42 117.61 1ag9 h ASP 65 Ca 0.60 -0.32 -0.03 0.00 0.02 0.00 0.00 57.03 57.30 1ag9 h ASP 65 Cb 1.28 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.57 1ag9 h ASP 65 CO -0.67 0.97 0.28 -0.50 -1.72 0.00 0.00 179.24 177.60 1ag9 h TRP 66 N 0.71 0.98 -0.93 4.55 4.06 -1.55 -1.09 115.95 122.68 1ag9 h TRP 66 Ca 0.13 -0.07 0.03 0.00 2.06 0.00 0.00 58.89 61.05 1ag9 h TRP 66 Cb 0.55 -0.30 -0.05 0.00 -1.00 0.00 0.00 29.16 28.36 1ag9 h TRP 66 CO 0.04 0.76 0.61 0.22 -3.56 0.00 0.00 178.44 176.51 1ag9 h ASP 67 N 0.92 1.02 -0.55 -3.49 3.58 -0.86 0.12 116.42 117.16 1ag9 h ASP 67 Ca 0.22 -0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.62 1ag9 h ASP 67 Cb 0.18 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 40.96 1ag9 h ASP 67 CO -0.02 0.71 0.20 0.44 -2.88 0.00 0.00 179.24 177.69 1ag9 h ASP 68 N 1.19 0.81 1.89 2.28 3.32 -0.49 -2.88 116.42 122.54 1ag9 h ASP 68 Ca 0.36 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1ag9 h ASP 68 Cb -0.04 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.30 1ag9 h ASP 68 CO -0.11 0.76 0.00 0.15 -1.72 0.00 0.00 179.24 178.32 1ag9 h PHE 69 N 0.86 0.00 -0.83 4.55 3.57 0.18 -3.38 116.94 121.89 1ag9 h PHE 69 Ca 0.20 0.00 0.21 0.00 3.53 0.00 0.00 57.97 61.91 1ag9 h PHE 69 Cb 0.22 0.00 -0.13 0.00 2.79 0.00 0.00 35.95 38.83 1ag9 h PHE 69 CO 0.01 0.00 0.18 0.74 -2.23 0.00 0.00 178.31 177.02 1ag9 h PHE 70 N 0.00 0.27 -0.11 0.41 0.04 -0.61 0.13 116.94 117.06 1ag9 h PHE 70 Ca 0.00 0.05 -0.00 0.00 2.80 0.00 0.00 57.97 60.82 1ag9 h PHE 70 Cb 0.94 0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.10 1ag9 h PHE 70 CO 0.00 -0.19 0.07 -1.35 -0.60 0.00 0.00 178.31 176.24 1ag9 h PRO 71 N 0.20 0.15 0.03 1.51 0.11 -1.79 -1.76 132.00 130.46 1ag9 h PRO 71 Ca 0.50 -0.01 -0.27 0.00 0.11 0.00 0.00 66.00 66.33 1ag9 h PRO 71 Cb 0.96 -0.03 0.02 0.00 0.11 0.00 0.00 31.00 32.06 1ag9 h PRO 71 CO -0.63 0.11 -1.08 1.15 -0.21 0.00 0.00 178.00 177.33 1ag9 h THR 72 N 0.16 1.28 -0.48 -1.15 2.02 -1.07 -3.20 112.91 110.47 1ag9 h THR 72 Ca 0.04 -2.29 0.01 0.00 0.77 0.00 0.00 66.41 64.94 1ag9 h THR 72 Cb -0.00 2.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.84 1ag9 h THR 72 CO -0.01 0.71 0.32 0.25 0.37 0.00 0.00 175.52 177.15 1ag9 h LEU 73 N 0.36 0.54 -1.90 2.58 5.85 -0.72 -1.69 115.31 120.33 1ag9 h LEU 73 Ca -0.14 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1ag9 h LEU 73 Cb 1.74 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.64 1ag9 h LEU 73 CO 0.21 0.39 0.00 -0.33 -0.34 0.00 0.00 178.44 178.37 1ag9 h GLU 74 N 0.63 0.00 -0.00 1.25 5.08 -1.33 -1.86 114.58 118.35 1ag9 h GLU 74 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1ag9 h GLU 74 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1ag9 h GLU 74 CO -0.04 0.00 -0.29 0.39 -1.00 0.00 0.00 179.01 178.07 1ag9 n GLU 75 N -2.87 0.36 -3.34 2.33 1.02 -0.63 -4.90 120.64 112.61 1ag9 n GLU 75 Ca -0.01 -0.18 -0.35 0.00 -0.02 0.00 0.00 57.16 56.61 1ag9 n GLU 75 Cb 0.18 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.05 1ag9 n GLU 75 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1ag9 s ILE 76 N -2.76 4.84 -0.30 -3.67 1.01 -0.70 -5.06 121.20 114.57 1ag9 s ILE 76 Ca 0.19 0.81 -0.10 0.00 0.00 0.00 0.00 60.65 61.55 1ag9 s ILE 76 Cb 0.19 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.92 1ag9 s ILE 76 CO 0.58 0.17 0.16 -0.62 0.00 0.00 0.00 174.94 175.23 1ag9 s ASP 77 N -1.84 5.64 0.00 3.58 -1.08 -1.26 -4.93 116.67 116.78 1ag9 s ASP 77 Ca 0.40 -0.33 0.20 0.00 -0.52 0.00 0.00 52.55 52.30 1ag9 s ASP 77 Cb -0.14 -2.03 0.58 0.00 -1.46 0.00 0.00 42.92 39.86 1ag9 s ASP 77 CO 0.20 -0.14 1.48 0.49 0.52 0.00 0.00 175.17 177.72 1ag9 n PHE 78 N 5.01 0.87 -1.97 -5.34 3.01 0.41 -4.91 117.46 114.55 1ag9 n PHE 78 Ca -0.14 -0.44 -0.43 0.00 1.01 0.00 0.00 57.45 57.46 1ag9 n PHE 78 Cb 0.50 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.95 1ag9 n PHE 78 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1ag9 s ASN 79 N -1.01 6.25 0.00 4.37 0.01 -1.13 -1.00 114.94 122.44 1ag9 s ASN 79 Ca 0.44 1.83 0.00 0.00 -0.71 0.00 0.00 52.86 54.42 1ag9 s ASN 79 Cb 0.23 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.36 1ag9 s ASN 79 CO 0.30 -1.33 0.00 0.61 -1.51 0.00 0.00 177.10 175.17 1ag9 n GLY 80 N 4.80 0.59 3.79 0.66 0.00 -1.26 -5.04 105.19 108.73 1ag9 n GLY 80 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 1ag9 n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ag9 s LYS 81 N -0.63 3.08 -0.18 1.61 1.02 -0.17 -4.97 119.74 119.50 1ag9 s LYS 81 Ca 0.00 -0.47 -0.09 0.00 0.02 0.00 0.00 55.97 55.43 1ag9 s LYS 81 Cb 0.00 -2.87 -0.05 0.00 -0.52 0.00 0.00 37.83 34.39 1ag9 s LYS 81 CO 0.00 0.65 0.12 -0.51 -0.92 0.00 0.00 175.35 174.69 1ag9 s LEU 82 N -1.73 4.15 -0.01 3.17 2.01 -0.24 -1.81 118.68 124.21 1ag9 s LEU 82 Ca 0.23 0.24 0.02 0.00 0.01 0.00 0.00 54.13 54.62 1ag9 s LEU 82 Cb -0.12 -2.06 -0.00 0.00 0.01 0.00 0.00 46.19 44.02 1ag9 s LEU 82 CO 0.14 0.22 -0.07 -0.69 1.01 0.00 0.00 176.35 176.96 1ag9 s VAL 83 N 0.13 0.54 0.10 -1.59 1.01 0.02 -1.11 120.40 119.49 1ag9 s VAL 83 Ca 0.08 -0.27 0.09 0.00 0.00 0.00 0.00 61.98 61.88 1ag9 s VAL 83 Cb -0.11 -0.47 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 1ag9 s VAL 83 CO -0.01 0.16 -0.22 0.00 0.00 0.00 0.00 175.10 175.04 1ag9 s ALA 84 N 0.01 1.93 0.10 5.51 0.00 -0.78 -0.91 121.76 127.61 1ag9 s ALA 84 Ca 0.00 -1.26 0.10 0.00 0.00 0.00 0.00 51.96 50.80 1ag9 s ALA 84 Cb -0.05 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 1ag9 s ALA 84 CO -0.00 0.41 -0.25 -0.51 0.00 0.00 0.00 175.76 175.41 1ag9 s LEU 85 N -1.81 2.27 0.09 0.00 1.43 -1.26 -1.82 118.68 117.58 1ag9 s LEU 85 Ca 0.08 -0.68 -0.16 0.00 -1.03 0.00 0.00 54.13 52.33 1ag9 s LEU 85 Cb -0.10 -1.13 0.03 0.00 0.03 0.00 0.00 46.19 45.03 1ag9 s LEU 85 CO 0.04 0.16 0.39 0.72 0.23 0.00 0.00 176.35 177.90 1ag9 s PHE 86 N -1.01 -0.21 0.00 0.29 -0.71 -0.33 -1.00 117.98 115.02 1ag9 s PHE 86 Ca 0.11 0.01 0.00 0.00 -1.04 0.00 0.00 56.93 56.01 1ag9 s PHE 86 Cb -0.10 0.22 0.00 0.00 -1.21 0.00 0.00 43.02 41.93 1ag9 s PHE 86 CO 0.04 -0.63 0.00 0.41 -1.34 0.00 0.00 175.22 173.70 1ag9 n GLY 87 N 0.12 0.52 3.71 1.99 0.00 -0.93 0.29 105.19 110.90 1ag9 n GLY 87 Ca -0.17 -0.77 -0.23 0.00 0.00 0.00 0.00 46.02 44.85 1ag9 n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ag9 s GLY 89 N -3.77 -0.14 -0.29 0.00 0.00 -0.72 -2.22 107.32 100.18 1ag9 s GLY 89 Ca 0.34 0.02 0.03 0.00 0.00 0.00 0.00 44.72 45.11 1ag9 s GLY 89 CO 0.22 0.64 -0.05 -0.35 0.00 0.00 0.00 173.10 173.56 1ag9 s ASP 90 N -3.07 4.56 0.06 1.64 -1.08 -1.26 -4.31 116.67 113.20 1ag9 s ASP 90 Ca 0.15 -1.68 0.22 0.00 -0.52 0.00 0.00 52.55 50.72 1ag9 s ASP 90 Cb -0.01 -1.57 0.92 0.00 -1.46 0.00 0.00 42.92 40.79 1ag9 s ASP 90 CO 0.03 -0.26 1.70 0.00 0.52 0.00 0.00 175.17 177.16 1ag9 n GLN 91 N 4.37 0.06 -0.13 4.34 10.64 -1.26 -1.23 117.38 134.16 1ag9 n GLN 91 Ca -0.07 0.18 -0.28 0.00 -1.83 0.00 0.00 57.00 55.00 1ag9 n GLN 91 Cb 0.42 -1.59 -0.10 0.00 -0.86 0.00 0.00 30.24 28.11 1ag9 n GLN 91 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1ag9 n GLU 92 N -1.69 0.59 0.20 2.61 1.02 -1.26 -3.38 120.64 118.74 1ag9 n GLU 92 Ca 0.05 0.30 0.09 0.00 -0.02 0.00 0.00 57.16 57.58 1ag9 n GLU 92 Cb 0.27 -1.54 0.16 0.00 -0.02 0.00 0.00 31.44 30.31 1ag9 n GLU 92 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1ag9 h ASP 93 N -0.89 0.00 -1.07 1.62 5.19 -1.99 -3.33 116.42 115.95 1ag9 h ASP 93 Ca -0.64 0.00 -0.45 0.00 -0.62 0.00 0.00 57.03 55.33 1ag9 h ASP 93 Cb 1.60 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 40.70 1ag9 h ASP 93 CO -0.36 0.15 -0.98 -1.22 -3.12 0.00 0.00 179.24 173.71 1ag9 n TYR 94 N -3.14 2.14 0.20 4.55 4.01 -0.37 -4.91 117.16 119.64 1ag9 n TYR 94 Ca 0.03 -2.74 0.18 0.00 -0.16 0.00 0.00 57.90 55.21 1ag9 n TYR 94 Cb 0.58 -0.25 0.82 0.00 -0.31 0.00 0.00 39.34 40.18 1ag9 n TYR 94 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ag9 h ALA 95 N 2.70 1.76 -0.40 -0.72 0.00 -1.67 0.75 119.26 121.68 1ag9 h ALA 95 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ag9 h ALA 95 Cb 1.15 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1ag9 h ALA 95 CO 0.61 -0.40 0.00 0.39 0.00 0.00 0.00 179.25 179.84 1ag9 n GLU 96 N -3.54 2.40 -1.01 0.00 1.02 -1.26 -0.15 120.64 118.11 1ag9 n GLU 96 Ca 0.02 -2.17 0.03 0.00 -0.02 0.00 0.00 57.16 55.03 1ag9 n GLU 96 Cb 0.42 -1.42 0.02 0.00 -0.02 0.00 0.00 31.44 30.44 1ag9 n GLU 96 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1ag9 n TYR 97 N 1.16 0.00 -1.69 -0.32 4.01 0.13 -4.53 117.16 115.92 1ag9 n TYR 97 Ca 0.17 -0.35 -0.40 0.00 -0.16 0.00 0.00 57.90 57.15 1ag9 n TYR 97 Cb 0.52 -0.11 -0.03 0.00 -0.31 0.00 0.00 39.34 39.41 1ag9 n TYR 97 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1ag9 s PHE 98 N -0.23 1.28 -1.49 -0.72 5.36 -0.44 -2.63 117.98 119.12 1ag9 s PHE 98 Ca 0.20 0.93 -0.07 0.00 -0.96 0.00 0.00 56.93 57.03 1ag9 s PHE 98 Cb 0.23 -3.86 0.02 0.00 -0.34 0.00 0.00 43.02 39.07 1ag9 s PHE 98 CO -0.09 -3.21 0.69 0.00 -1.46 0.00 0.00 175.22 171.15 1ag9 h ASP 100 N -1.54 0.56 -0.17 0.00 3.32 -1.83 -1.75 116.42 115.00 1ag9 h ASP 100 Ca -0.52 0.02 0.05 0.00 0.02 0.00 0.00 57.03 56.60 1ag9 h ASP 100 Cb 1.36 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.81 1ag9 h ASP 100 CO 0.57 0.31 0.17 0.00 -1.72 0.00 0.00 179.24 178.57 1ag9 h ALA 101 N 1.62 1.86 -0.79 3.45 0.00 -1.84 0.02 119.26 123.58 1ag9 h ALA 101 Ca 0.38 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 1ag9 h ALA 101 Cb 0.62 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1ag9 h ALA 101 CO -0.14 -0.26 0.43 -0.07 0.00 0.00 0.00 179.25 179.21 1ag9 h LEU 102 N 0.00 0.98 -0.07 0.00 3.38 -1.56 -0.83 115.31 117.20 1ag9 h LEU 102 Ca 0.08 -0.08 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 1ag9 h LEU 102 Cb 0.43 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1ag9 h LEU 102 CO -0.00 0.79 -1.05 1.23 0.09 0.00 0.00 178.44 179.50 1ag9 h GLY 103 N 1.13 0.29 0.94 0.83 0.00 -1.12 -2.49 103.07 102.65 1ag9 h GLY 103 Ca 0.28 -0.60 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 1ag9 h GLY 103 CO -0.05 0.53 0.14 -0.84 0.00 0.00 0.00 176.54 176.33 1ag9 h THR 104 N 0.11 1.21 -0.13 4.70 2.02 -0.92 0.32 112.91 120.21 1ag9 h THR 104 Ca -0.08 -0.67 -0.15 0.00 0.77 0.00 0.00 66.41 66.27 1ag9 h THR 104 Cb 1.73 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 69.02 1ag9 h THR 104 CO 0.17 0.24 -0.58 -0.29 0.37 0.00 0.00 175.52 175.43 1ag9 h ILE 105 N 0.51 1.35 -0.88 3.11 2.10 -1.23 -2.81 117.51 119.67 1ag9 h ILE 105 Ca 0.13 -1.88 -0.01 0.00 1.08 0.00 0.00 64.86 64.19 1ag9 h ILE 105 Cb 0.23 1.88 -0.04 0.00 -1.09 0.00 0.00 36.82 37.80 1ag9 h ILE 105 CO -0.01 0.57 0.53 -0.09 -1.08 0.00 0.00 178.15 178.07 1ag9 h ARG 106 N 0.31 1.19 0.00 2.19 1.12 -1.23 0.01 114.38 117.97 1ag9 h ARG 106 Ca -0.00 -0.11 -0.00 0.00 -1.11 0.00 0.00 59.98 58.76 1ag9 h ARG 106 Cb 1.10 -0.25 -0.00 0.00 -0.01 0.00 0.00 29.97 30.82 1ag9 h ARG 106 CO 0.10 0.84 -0.01 -0.44 -3.11 0.00 0.00 179.97 177.35 1ag9 h ASP 107 N 1.21 0.00 0.00 -3.80 3.32 -0.67 0.04 116.42 116.52 1ag9 h ASP 107 Ca 0.31 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.31 1ag9 h ASP 107 Cb -0.05 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1ag9 h ASP 107 CO -0.06 0.01 -0.62 0.40 -1.72 0.00 0.00 179.24 177.25 1ag9 h ILE 108 N 0.00 0.28 0.00 0.35 2.04 -0.94 -3.40 117.51 115.84 1ag9 h ILE 108 Ca -0.00 -1.33 -0.09 0.00 1.00 0.00 0.00 64.86 64.44 1ag9 h ILE 108 Cb 0.07 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1ag9 h ILE 108 CO 0.00 0.09 -0.45 0.16 0.00 0.00 0.00 178.15 177.96 1ag9 h ILE 109 N -1.00 0.99 0.29 -0.67 3.07 -1.26 -3.27 117.51 115.66 1ag9 h ILE 109 Ca -0.08 -1.77 -0.01 0.00 1.55 0.00 0.00 64.86 64.54 1ag9 h ILE 109 Cb 0.66 2.06 0.00 0.00 -0.27 0.00 0.00 36.82 39.27 1ag9 h ILE 109 CO -0.05 0.44 -0.14 -0.08 -1.05 0.00 0.00 178.15 177.27 1ag9 h GLU 110 N 0.00 -0.37 0.00 0.16 4.81 -1.22 -0.87 114.58 117.09 1ag9 h GLU 110 Ca -0.00 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1ag9 h GLU 110 Cb 1.02 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.49 1ag9 h GLU 110 CO 0.06 -0.07 -0.02 -1.35 -0.73 0.00 0.00 179.01 176.90 1ag9 h PRO 111 N -0.69 0.00 -0.37 0.92 0.11 -1.77 -1.38 132.00 128.81 1ag9 h PRO 111 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1ag9 h PRO 111 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1ag9 h PRO 111 CO 0.07 0.02 0.00 0.54 -0.21 0.00 0.00 178.00 178.41 1ag9 n ARG 112 N -3.43 1.83 0.00 1.05 1.74 -1.12 -4.91 116.66 111.82 1ag9 n ARG 112 Ca -0.03 -1.16 0.00 0.00 -0.77 0.00 0.00 57.85 55.89 1ag9 n ARG 112 Cb 0.12 -1.31 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 1ag9 n ARG 112 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ag9 n GLY 113 N 0.93 0.54 3.74 -0.13 0.00 -0.52 -0.44 105.19 109.31 1ag9 n GLY 113 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1ag9 n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ag9 s ALA 114 N -2.00 3.82 -0.51 4.61 0.00 -0.35 -3.80 121.76 123.54 1ag9 s ALA 114 Ca 0.00 1.58 -0.17 0.00 0.00 0.00 0.00 51.96 53.37 1ag9 s ALA 114 Cb 0.00 -3.67 0.08 0.00 0.00 0.00 0.00 23.12 19.53 1ag9 s ALA 114 CO 0.00 -0.96 0.53 0.99 0.00 0.00 0.00 175.76 176.32 1ag9 s THR 115 N 0.47 5.04 -0.02 0.00 2.01 -0.75 -4.75 115.64 117.64 1ag9 s THR 115 Ca 0.68 -0.90 -0.19 0.00 0.31 0.00 0.00 61.69 61.59 1ag9 s THR 115 Cb -0.49 -4.26 -0.05 0.00 0.01 0.00 0.00 72.50 67.71 1ag9 s THR 115 CO 0.42 -0.77 0.53 -0.63 -0.69 0.00 0.00 174.62 173.47 1ag9 s ILE 116 N 2.14 4.97 0.27 1.82 1.01 -1.26 -0.80 121.20 129.35 1ag9 s ILE 116 Ca 0.09 1.09 0.06 0.00 0.00 0.00 0.00 60.65 61.89 1ag9 s ILE 116 Cb -0.23 -3.86 -0.06 0.00 0.01 0.00 0.00 42.46 38.33 1ag9 s ILE 116 CO 0.08 0.45 -0.04 0.68 0.00 0.00 0.00 174.94 176.12 1ag9 s VAL 117 N -0.33 1.47 0.00 2.92 -7.23 -0.09 -4.91 120.40 112.23 1ag9 s VAL 117 Ca 0.28 -2.09 0.00 0.00 -1.81 0.00 0.00 61.98 58.36 1ag9 s VAL 117 Cb -0.17 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.31 1ag9 s VAL 117 CO 0.15 -0.28 0.00 0.61 -0.31 0.00 0.00 175.10 175.27 1ag9 n GLY 118 N -0.55 0.88 3.75 2.32 0.00 -1.26 -4.16 105.19 106.17 1ag9 n GLY 118 Ca -0.05 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 1ag9 n GLY 118 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ag9 n HIS 119 N -2.20 2.44 -4.37 1.61 8.25 -1.26 -3.91 115.22 115.78 1ag9 n HIS 119 Ca 0.00 0.43 -0.19 0.00 -0.26 0.00 0.00 57.72 57.70 1ag9 n HIS 119 Cb 0.00 -2.40 -0.15 0.00 1.12 0.00 0.00 29.99 28.56 1ag9 n HIS 119 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 1ag9 s TRP 120 N -1.26 0.86 0.33 4.41 -0.11 -0.73 -4.89 118.94 117.54 1ag9 s TRP 120 Ca 0.68 -0.18 -0.29 0.00 1.22 0.00 0.00 56.10 57.54 1ag9 s TRP 120 Cb -0.43 -0.58 -0.10 0.00 -1.50 0.00 0.00 33.47 30.86 1ag9 s TRP 120 CO 0.52 -0.05 1.36 -1.25 -4.62 0.00 0.00 176.95 172.91 1ag9 s PRO 121 N -0.05 4.30 0.00 5.86 0.04 -1.26 0.15 135.00 144.04 1ag9 s PRO 121 Ca 0.01 2.29 0.23 0.00 0.04 0.00 0.00 61.00 63.57 1ag9 s PRO 121 Cb -0.05 -3.06 1.09 0.00 0.04 0.00 0.00 34.50 32.52 1ag9 s PRO 121 CO -0.00 -0.28 1.75 0.25 0.04 0.00 0.00 177.00 178.76 1ag9 n THR 122 N 0.97 0.34 -1.85 1.26 -2.24 -0.55 -4.75 114.28 107.46 1ag9 n THR 122 Ca 0.01 0.08 -0.41 0.00 -2.27 0.00 0.00 64.05 61.46 1ag9 n THR 122 Cb 0.41 -0.70 -0.02 0.00 -2.10 0.00 0.00 70.33 67.92 1ag9 n THR 122 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ag9 s ALA 123 N -2.74 3.69 0.00 6.98 0.00 -1.26 -2.22 121.76 126.21 1ag9 s ALA 123 Ca 0.18 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.64 1ag9 s ALA 123 Cb 0.15 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1ag9 s ALA 123 CO 0.38 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.62 1ag9 n GLY 124 N 1.95 1.21 3.87 0.00 0.00 -1.26 -5.05 105.19 105.91 1ag9 n GLY 124 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1ag9 n GLY 124 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ag9 s TYR 125 N -2.29 3.39 -0.45 1.61 1.51 -0.94 -5.08 117.35 115.09 1ag9 s TYR 125 Ca 0.00 0.16 0.03 0.00 -1.01 0.00 0.00 57.07 56.26 1ag9 s TYR 125 Cb 0.00 -1.69 0.12 0.00 -0.11 0.00 0.00 41.96 40.28 1ag9 s TYR 125 CO 0.00 0.56 0.20 -3.38 -1.11 0.00 0.00 175.55 171.82 1ag9 s HIS 126 N -1.51 2.98 0.19 2.71 -3.43 -1.26 -5.08 115.29 109.88 1ag9 s HIS 126 Ca 0.33 -2.91 -0.00 0.00 -0.80 0.00 0.00 55.06 51.68 1ag9 s HIS 126 Cb -0.12 -2.59 -0.04 0.00 -1.43 0.00 0.00 32.58 28.39 1ag9 s HIS 126 CO 0.26 -0.80 0.09 -0.59 -2.00 0.00 0.00 174.74 171.70 1ag9 s PHE 127 N 0.20 1.16 -0.15 0.38 -0.71 -1.26 -4.58 117.98 113.01 1ag9 s PHE 127 Ca 0.15 -1.27 0.05 0.00 -1.04 0.00 0.00 56.93 54.82 1ag9 s PHE 127 Cb -0.24 -0.62 -0.13 0.00 -1.21 0.00 0.00 43.02 40.83 1ag9 s PHE 127 CO -0.03 -0.51 -0.07 -1.91 -1.34 0.00 0.00 175.22 171.35 1ag9 n GLU 128 N -0.26 0.99 -3.78 1.99 2.13 0.79 -5.04 120.64 117.46 1ag9 n GLU 128 Ca -0.01 0.06 -0.13 0.00 0.66 0.00 0.00 57.16 57.74 1ag9 n GLU 128 Cb 0.65 -1.34 -0.10 0.00 0.27 0.00 0.00 31.44 30.92 1ag9 n GLU 128 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ag9 s ALA 129 N -2.33 -0.71 -0.19 4.31 0.00 0.54 -4.94 121.76 118.45 1ag9 s ALA 129 Ca -0.16 0.59 -0.14 0.00 0.00 0.00 0.00 51.96 52.24 1ag9 s ALA 129 Cb 0.05 -0.26 0.05 0.00 0.00 0.00 0.00 23.12 22.96 1ag9 s ALA 129 CO 0.45 -0.18 0.48 0.45 0.00 0.00 0.00 175.76 176.95 1ag9 s SER 130 N -0.44 -0.55 0.00 0.00 0.15 -1.26 -2.50 113.70 109.10 1ag9 s SER 130 Ca -0.05 1.00 0.26 0.00 0.70 0.00 0.00 55.95 57.85 1ag9 s SER 130 Cb -0.04 0.95 0.73 0.00 -1.71 0.00 0.00 66.02 65.95 1ag9 s SER 130 CO 0.02 -0.18 1.57 0.29 1.20 0.00 0.00 173.24 176.13 1ag9 n LYS 131 N 3.47 0.06 -1.00 5.44 5.02 -1.26 -4.20 118.16 125.68 1ag9 n LYS 131 Ca -0.17 -0.03 -0.21 0.00 -2.02 0.00 0.00 58.31 55.88 1ag9 n LYS 131 Cb 0.56 -1.50 0.11 0.00 -0.02 0.00 0.00 35.03 34.18 1ag9 n LYS 131 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ag9 n GLY 132 N 1.49 4.32 3.87 0.72 0.00 -1.26 -3.86 105.19 110.47 1ag9 n GLY 132 Ca 0.06 -1.17 -0.36 0.00 0.00 0.00 0.00 46.02 44.56 1ag9 n GLY 132 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ag9 s LEU 133 N -2.64 4.40 -0.12 0.99 1.43 -1.26 0.05 118.68 121.52 1ag9 s LEU 133 Ca 0.45 0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 54.06 1ag9 s LEU 133 Cb 0.37 -2.48 -0.26 0.00 0.03 0.00 0.00 46.19 43.86 1ag9 s LEU 133 CO 0.05 0.31 0.41 0.00 0.23 0.00 0.00 176.35 177.36 1ag9 h ALA 134 N 4.42 0.34 -4.09 4.21 0.00 0.32 -3.42 119.26 121.04 1ag9 h ALA 134 Ca -0.52 -1.29 -0.29 0.00 0.00 0.00 0.00 54.91 52.80 1ag9 h ALA 134 Cb 1.21 0.65 -0.07 0.00 0.00 0.00 0.00 17.79 19.58 1ag9 h ALA 134 CO 0.63 1.12 -0.19 -0.40 0.00 0.00 0.00 179.25 180.41 1ag9 n ASP 135 N -3.69 -1.17 -0.32 0.00 5.68 -1.11 -5.01 116.55 110.92 1ag9 n ASP 135 Ca -0.30 -2.82 0.23 0.00 -0.50 0.00 0.00 54.79 51.40 1ag9 n ASP 135 Cb 0.98 2.25 0.45 0.00 -1.14 0.00 0.00 41.12 43.66 1ag9 n ASP 135 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1ag9 h ASP 136 N 1.86 0.12 0.00 -1.12 3.32 -2.03 -2.47 116.42 116.11 1ag9 h ASP 136 Ca -0.25 0.24 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 1ag9 h ASP 136 Cb 1.12 0.29 -0.10 0.00 0.22 0.00 0.00 39.33 40.86 1ag9 h ASP 136 CO 0.34 -0.32 -0.60 -0.90 -1.72 0.00 0.00 179.24 176.05 1ag9 n ASP 137 N -5.27 1.51 -3.73 6.45 5.75 -1.26 -5.00 116.55 115.00 1ag9 n ASP 137 Ca 0.31 -3.24 -0.14 0.00 -0.01 0.00 0.00 54.79 51.71 1ag9 n ASP 137 Cb 1.01 -0.45 -0.14 0.00 -1.03 0.00 0.00 41.12 40.51 1ag9 n ASP 137 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 1ag9 s HIS 138 N -2.21 -0.19 0.73 2.11 3.76 -0.93 -1.49 115.29 117.07 1ag9 s HIS 138 Ca 0.35 0.54 -0.11 0.00 -0.15 0.00 0.00 55.06 55.69 1ag9 s HIS 138 Cb 0.35 -0.09 0.03 0.00 1.11 0.00 0.00 32.58 33.98 1ag9 s HIS 138 CO -0.08 -0.19 1.08 -0.06 -0.85 0.00 0.00 174.74 174.63 1ag9 s PHE 139 N 1.34 2.80 -1.06 1.40 0.08 0.39 0.88 117.98 123.81 1ag9 s PHE 139 Ca -0.08 1.50 0.28 0.00 0.12 0.00 0.00 56.93 58.76 1ag9 s PHE 139 Cb -0.12 -2.99 1.23 0.00 -0.57 0.00 0.00 43.02 40.57 1ag9 s PHE 139 CO -0.06 -1.55 1.91 1.55 -0.10 0.00 0.00 175.22 176.97 1ag9 n VAL 140 N -3.25 0.08 -3.58 -0.44 3.14 0.11 -1.78 118.33 112.62 1ag9 n VAL 140 Ca 0.09 0.02 -0.04 0.00 -2.96 0.00 0.00 64.34 61.45 1ag9 n VAL 140 Cb 0.53 -0.54 0.02 0.00 -1.06 0.00 0.00 33.84 32.78 1ag9 n VAL 140 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ag9 n GLY 141 N 1.34 1.17 3.67 7.55 0.00 -1.26 -4.07 105.19 113.58 1ag9 n GLY 141 Ca 0.08 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 1ag9 n GLY 141 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ag9 s LEU 142 N 0.00 4.30 -0.25 0.99 2.96 -0.17 -4.24 118.68 122.27 1ag9 s LEU 142 Ca 0.11 2.13 -0.09 0.00 -0.22 0.00 0.00 54.13 56.06 1ag9 s LEU 142 Cb -0.02 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.08 1ag9 s LEU 142 CO 0.06 -0.83 0.12 0.00 -1.32 0.00 0.00 176.35 174.38 1ag9 s ALA 143 N 3.30 3.35 -0.08 5.97 0.00 -1.26 -2.19 121.76 130.85 1ag9 s ALA 143 Ca 0.67 -1.06 0.03 0.00 0.00 0.00 0.00 51.96 51.60 1ag9 s ALA 143 Cb -0.31 -2.23 -0.02 0.00 0.00 0.00 0.00 23.12 20.56 1ag9 s ALA 143 CO 0.26 -0.43 -0.16 0.42 0.00 0.00 0.00 175.76 175.86 1ag9 s ILE 144 N 1.51 2.85 -0.34 0.00 -1.09 -0.60 -5.01 121.20 118.51 1ag9 s ILE 144 Ca 0.06 -0.77 0.02 0.00 -2.23 0.00 0.00 60.65 57.73 1ag9 s ILE 144 Cb -0.15 -2.13 0.10 0.00 -1.58 0.00 0.00 42.46 38.70 1ag9 s ILE 144 CO 0.06 0.56 0.10 -0.62 -1.23 0.00 0.00 174.94 173.81 1ag9 s ASP 145 N -0.23 4.30 0.08 3.58 -1.08 -1.26 -1.76 116.67 120.30 1ag9 s ASP 145 Ca 0.00 -1.99 0.27 0.00 -0.52 0.00 0.00 52.55 50.32 1ag9 s ASP 145 Cb -0.13 -1.21 0.94 0.00 -1.46 0.00 0.00 42.92 41.06 1ag9 s ASP 145 CO 0.03 -0.38 1.77 -0.62 0.52 0.00 0.00 175.17 176.49 1ag9 n GLU 146 N 4.43 0.11 0.02 4.34 -0.58 -1.26 -1.34 120.64 126.35 1ag9 n GLU 146 Ca 0.02 0.07 -0.20 0.00 -0.42 0.00 0.00 57.16 56.63 1ag9 n GLU 146 Cb 0.41 -1.61 -0.14 0.00 -0.57 0.00 0.00 31.44 29.53 1ag9 n GLU 146 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1ag9 h ASP 147 N 0.00 0.43 0.00 1.62 3.32 -1.93 -3.38 116.42 116.48 1ag9 h ASP 147 Ca 0.00 -0.83 -0.15 0.00 0.02 0.00 0.00 57.03 56.07 1ag9 h ASP 147 Cb 0.60 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 1ag9 h ASP 147 CO 0.00 1.73 -1.58 0.54 -1.72 0.00 0.00 179.24 178.21 1ag9 n ARG 148 N -3.47 2.30 -2.61 3.56 5.12 -1.25 -4.79 116.66 115.53 1ag9 n ARG 148 Ca -0.27 0.01 -0.17 0.00 -1.93 0.00 0.00 57.85 55.48 1ag9 n ARG 148 Cb 1.06 -1.22 0.01 0.00 -1.16 0.00 0.00 32.46 31.15 1ag9 n ARG 148 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1ag9 n GLN 149 N -2.38 2.15 0.13 5.56 6.02 -0.45 -4.89 117.38 123.52 1ag9 n GLN 149 Ca -0.14 -3.83 0.04 0.00 -0.01 0.00 0.00 57.00 53.06 1ag9 n GLN 149 Cb 0.76 -1.71 0.45 0.00 1.02 0.00 0.00 30.24 30.77 1ag9 n GLN 149 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1ag9 h PRO 150 N 2.82 0.24 -0.00 -1.09 0.13 -1.61 -2.20 132.00 130.28 1ag9 h PRO 150 Ca 0.08 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1ag9 h PRO 150 Cb 1.05 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.13 1ag9 h PRO 150 CO 0.66 0.29 0.05 1.05 -0.23 0.00 0.00 178.00 179.81 1ag9 h GLU 151 N 0.23 0.00 -0.01 0.86 9.09 -1.90 -1.44 114.58 121.41 1ag9 h GLU 151 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.46 1ag9 h GLU 151 Cb 0.21 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.31 1ag9 h GLU 151 CO 0.01 0.00 -0.42 1.28 0.05 0.00 0.00 179.01 179.93 1ag9 n LEU 152 N -3.11 1.76 0.03 3.06 4.77 -0.83 -4.57 117.00 118.12 1ag9 n LEU 152 Ca -0.03 -0.63 -0.12 0.00 -0.03 0.00 0.00 56.01 55.21 1ag9 n LEU 152 Cb 0.12 -0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.11 1ag9 n LEU 152 CO 0.20 0.33 0.86 0.74 -1.33 0.00 0.00 177.39 178.18 1ag9 h THR 153 N 2.10 1.04 0.00 -5.08 2.02 -1.33 -0.58 112.91 111.09 1ag9 h THR 153 Ca 0.00 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 67.09 1ag9 h THR 153 Cb 0.69 1.09 -0.05 0.00 -1.74 0.00 0.00 68.15 68.14 1ag9 h THR 153 CO 0.00 0.03 -0.27 0.00 0.37 0.00 0.00 175.52 175.65 1ag9 h ALA 154 N 0.96 -0.37 -0.35 6.16 0.00 -1.80 0.87 119.26 124.72 1ag9 h ALA 154 Ca 0.01 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1ag9 h ALA 154 Cb 0.04 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1ag9 h ALA 154 CO -0.00 -0.78 0.15 1.49 0.00 0.00 0.00 179.25 180.11 1ag9 h GLU 155 N -0.41 0.31 -0.21 0.00 4.22 -1.83 -2.27 114.58 114.38 1ag9 h GLU 155 Ca 0.06 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.49 1ag9 h GLU 155 Cb 0.50 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1ag9 h GLU 155 CO -0.23 0.20 0.14 0.00 -2.18 0.00 0.00 179.01 176.94 1ag9 h ARG 156 N 0.32 0.28 -0.12 1.92 3.08 -0.41 -2.62 114.38 116.82 1ag9 h ARG 156 Ca 0.15 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 1ag9 h ARG 156 Cb 0.10 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1ag9 h ARG 156 CO -0.13 0.19 0.05 0.28 -1.07 0.00 0.00 179.97 179.29 1ag9 h VAL 157 N 0.28 1.13 -0.06 2.04 2.07 -0.74 -2.08 116.25 118.89 1ag9 h VAL 157 Ca 0.08 -0.37 0.04 0.00 0.82 0.00 0.00 66.70 67.26 1ag9 h VAL 157 Cb -0.03 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1ag9 h VAL 157 CO -0.02 0.11 -0.20 -0.08 0.02 0.00 0.00 177.57 177.40 1ag9 h GLU 158 N 0.06 -0.29 -0.41 1.57 4.81 -1.36 0.17 114.58 119.13 1ag9 h GLU 158 Ca 0.04 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1ag9 h GLU 158 Cb 0.13 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1ag9 h GLU 158 CO -0.00 -0.19 0.12 -0.22 -0.73 0.00 0.00 179.01 177.99 1ag9 h LYS 159 N -0.30 0.63 -0.85 1.92 3.64 -1.50 -0.23 116.57 119.88 1ag9 h LYS 159 Ca 0.08 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 1ag9 h LYS 159 Cb 0.40 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.09 1ag9 h LYS 159 CO -0.23 0.63 0.43 2.35 -2.27 0.00 0.00 179.45 180.37 1ag9 h TRP 160 N 0.51 1.20 -0.29 1.91 7.01 -1.10 0.64 115.95 125.83 1ag9 h TRP 160 Ca 0.13 -0.05 -0.06 0.00 2.11 0.00 0.00 58.89 61.02 1ag9 h TRP 160 Cb 0.27 -0.38 -0.01 0.00 -2.10 0.00 0.00 29.16 26.94 1ag9 h TRP 160 CO 0.01 0.85 -0.06 0.28 -2.79 0.00 0.00 178.44 176.73 1ag9 h VAL 161 N 1.20 1.28 -0.81 2.65 2.07 -0.45 0.11 116.25 122.31 1ag9 h VAL 161 Ca 0.30 -1.08 0.01 0.00 0.82 0.00 0.00 66.70 66.75 1ag9 h VAL 161 Cb 0.08 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 1ag9 h VAL 161 CO -0.04 0.34 0.53 0.50 0.02 0.00 0.00 177.57 178.93 1ag9 h LYS 162 N 0.33 1.05 0.39 1.57 3.64 -0.54 0.01 116.57 123.02 1ag9 h LYS 162 Ca 0.08 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1ag9 h LYS 162 Cb 0.54 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1ag9 h LYS 162 CO 0.03 0.69 -0.19 0.37 -2.27 0.00 0.00 179.45 178.08 1ag9 h GLN 163 N 1.08 -0.51 0.00 1.90 4.15 0.60 -2.51 115.11 119.82 1ag9 h GLN 163 Ca 0.30 0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.71 1ag9 h GLN 163 Cb -0.10 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 1ag9 h GLN 163 CO -0.07 -0.28 -0.21 -0.84 -1.93 0.00 0.00 178.83 175.49 1ag9 h ILE 164 N -0.62 0.82 -0.63 2.39 3.07 -0.52 -1.59 117.51 120.43 1ag9 h ILE 164 Ca -0.05 -0.83 -0.06 0.00 1.55 0.00 0.00 64.86 65.46 1ag9 h ILE 164 Cb 0.46 1.50 -0.03 0.00 -0.27 0.00 0.00 36.82 38.48 1ag9 h ILE 164 CO 0.09 0.21 0.16 0.28 -1.05 0.00 0.00 178.15 177.84 1ag9 h SER 165 N 0.00 0.94 0.20 2.16 0.02 -0.75 0.27 113.55 116.39 1ag9 h SER 165 Ca -0.00 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.71 1ag9 h SER 165 Cb 0.48 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1ag9 h SER 165 CO 0.03 0.92 -0.10 -0.33 -1.14 0.00 0.00 176.83 176.21 1ag9 h GLU 166 N 0.92 -0.26 -0.13 3.45 4.39 -0.99 0.62 114.58 122.57 1ag9 h GLU 166 Ca 0.20 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.90 1ag9 h GLU 166 Cb 0.34 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1ag9 h GLU 166 CO -0.00 -0.05 -0.01 0.93 -1.16 0.00 0.00 179.01 178.72 1ag9 h GLU 167 N -0.43 0.18 0.00 2.33 5.08 -1.07 -1.97 114.58 118.71 1ag9 h GLU 167 Ca -0.03 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.21 1ag9 h GLU 167 Cb 0.33 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1ag9 h GLU 167 CO 0.04 0.21 -0.99 -0.07 -1.00 0.00 0.00 179.01 177.21 1ag9 h LEU 168 N 0.18 0.00 -1.12 1.33 3.38 -0.30 -3.49 115.31 115.30 1ag9 h LEU 168 Ca 0.04 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.82 1ag9 h LEU 168 Cb 0.15 0.00 0.07 0.00 0.09 0.00 0.00 40.66 40.97 1ag9 h LEU 168 CO 0.00 0.37 -0.35 1.41 0.09 0.00 0.00 178.44 179.96 1ag9 n HIS 169 N -2.93 -1.36 0.18 1.13 8.25 0.21 -4.88 115.22 115.82 1ag9 n HIS 169 Ca -0.03 0.50 0.12 0.00 -0.26 0.00 0.00 57.72 58.04 1ag9 n HIS 169 Cb 0.72 -3.13 0.62 0.00 1.12 0.00 0.00 29.99 29.32 1ag9 n HIS 169 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1ag9 h LEU 170 N -1.26 0.00 0.16 2.41 3.38 -1.59 -0.40 115.31 118.00 1ag9 h LEU 170 Ca -0.29 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 1ag9 h LEU 170 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1ag9 h LEU 170 CO 0.27 0.00 -0.08 0.44 0.09 0.00 0.00 178.44 179.17 1ag9 h ASP 171 N 0.00 -0.18 -0.00 -0.43 5.19 -1.91 -3.03 116.42 116.06 1ag9 h ASP 171 Ca 0.00 -0.31 -0.13 0.00 -0.62 0.00 0.00 57.03 55.97 1ag9 h ASP 171 Cb 0.02 0.05 0.01 0.00 0.18 0.00 0.00 39.33 39.58 1ag9 h ASP 171 CO 0.00 0.24 -0.50 -0.33 -3.12 0.00 0.00 179.24 175.54 1ag9 h GLU 172 N -0.65 0.35 -0.52 3.56 3.07 -1.39 -2.17 114.58 116.83 1ag9 h GLU 172 Ca -0.02 -0.37 0.06 0.00 -0.50 0.00 0.00 59.36 58.53 1ag9 h GLU 172 Cb 0.48 0.10 -0.05 0.00 -0.84 0.00 0.00 28.75 28.44 1ag9 h GLU 172 CO 0.04 1.05 0.23 0.82 -1.40 0.00 0.00 179.01 179.75 1ag9 h ILE 173 N -0.21 0.90 0.24 3.13 2.04 -1.41 -2.26 117.51 119.95 1ag9 h ILE 173 Ca -0.06 -0.16 -0.33 0.00 1.00 0.00 0.00 64.86 65.31 1ag9 h ILE 173 Cb 1.22 0.41 0.03 0.00 -0.74 0.00 0.00 36.82 37.74 1ag9 h ILE 173 CO 0.10 0.08 -1.47 -0.07 0.00 0.00 0.00 178.15 176.79 1ag9 h LEU 174 N 0.45 0.80 -5.36 1.44 3.38 -1.65 -3.44 115.31 110.93 1ag9 h LEU 174 Ca 0.24 -0.87 -0.30 0.00 0.09 0.00 0.00 57.88 57.04 1ag9 h LEU 174 Cb 0.20 -0.26 -0.22 0.00 0.09 0.00 0.00 40.66 40.46 1ag9 h LEU 174 CO -0.20 1.68 -0.66 -0.46 0.09 0.00 0.00 178.44 178.89 1ag9 n ASN 175 N -3.69 -2.26 0.00 -0.43 0.23 -0.82 -5.10 115.26 103.18 1ag9 n ASN 175 Ca -0.16 -2.94 0.00 0.00 -0.53 0.00 0.00 54.58 50.95 1ag9 n ASN 175 Cb 1.10 1.07 0.00 0.00 -2.08 0.00 0.00 39.78 39.87 1ag9 n ASN 175 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33