#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hr7 s GLN 2 N 0.00 4.18 0.61 0.03 -1.52 -1.26 -3.97 119.66 117.73 3hr7 s GLN 2 Ca 0.00 0.73 -0.19 0.00 -1.95 0.00 0.00 55.36 53.95 3hr7 s GLN 2 Cb 0.00 -3.10 -0.03 0.00 -0.22 0.00 0.00 33.01 29.66 3hr7 s GLN 2 CO 0.00 0.55 1.27 0.72 -0.25 0.00 0.00 175.29 177.58 3hr7 n HIS 3 N 1.30 1.92 -3.64 0.91 8.25 -1.26 -4.69 115.22 118.01 3hr7 n HIS 3 Ca -0.07 0.43 -0.40 0.00 -0.26 0.00 0.00 57.72 57.42 3hr7 n HIS 3 Cb 0.51 -2.29 -0.11 0.00 1.12 0.00 0.00 29.99 29.22 3hr7 n HIS 3 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3hr7 s LEU 4 N -3.71 4.48 -0.21 2.41 1.43 -0.67 -0.63 118.68 121.79 3hr7 s LEU 4 Ca 0.78 -0.88 -0.04 0.00 -1.03 0.00 0.00 54.13 52.96 3hr7 s LEU 4 Cb -0.40 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 43.81 3hr7 s LEU 4 CO 0.44 -0.32 -0.04 -0.69 0.23 0.00 0.00 176.35 175.97 3hr7 s VAL 5 N 1.55 3.47 -0.22 -1.59 1.01 -0.07 -0.76 120.40 123.79 3hr7 s VAL 5 Ca 0.02 -0.47 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 3hr7 s VAL 5 Cb -0.19 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.58 3hr7 s VAL 5 CO 0.06 0.43 0.21 -0.76 0.00 0.00 0.00 175.10 175.04 3hr7 s LEU 6 N 1.25 4.14 0.27 3.92 1.43 -0.33 -0.60 118.68 128.75 3hr7 s LEU 6 Ca 0.03 0.22 0.08 0.00 -1.03 0.00 0.00 54.13 53.44 3hr7 s LEU 6 Cb -0.14 -2.19 -0.05 0.00 0.03 0.00 0.00 46.19 43.83 3hr7 s LEU 6 CO -0.01 0.06 -0.12 0.27 0.23 0.00 0.00 176.35 176.78 3hr7 s ILE 7 N 0.98 1.90 -5.00 -0.59 -4.36 0.24 -3.04 121.20 111.34 3hr7 s ILE 7 Ca 0.10 -2.21 0.00 0.00 -0.26 0.00 0.00 60.65 58.28 3hr7 s ILE 7 Cb -0.13 -2.32 0.00 0.00 1.25 0.00 0.00 42.46 41.25 3hr7 s ILE 7 CO 0.04 -0.40 0.00 0.61 0.24 0.00 0.00 174.94 175.44 3hr7 n GLY 8 N -0.56 0.02 3.77 6.27 0.00 -1.26 -1.51 105.19 111.92 3hr7 n GLY 8 Ca -0.06 -1.77 -0.35 0.00 0.00 0.00 0.00 46.02 43.84 3hr7 n GLY 8 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hr7 s PHE 9 N -1.46 2.57 0.20 1.61 0.40 -1.26 -4.35 117.98 115.69 3hr7 s PHE 9 Ca 0.00 1.54 -0.32 0.00 -0.60 0.00 0.00 56.93 57.54 3hr7 s PHE 9 Cb 0.00 -3.34 -0.14 0.00 0.51 0.00 0.00 43.02 40.05 3hr7 s PHE 9 CO 0.00 -1.80 1.45 -0.12 0.70 0.00 0.00 175.22 175.45 3hr7 n MET 10 N -1.54 1.99 -0.39 0.44 0.00 -1.26 -2.39 117.12 113.97 3hr7 n MET 10 Ca 0.12 0.71 0.00 0.00 -0.00 0.00 0.00 57.70 58.53 3hr7 n MET 10 Cb 0.51 -2.40 0.00 0.00 0.00 0.00 0.00 33.22 31.32 3hr7 n MET 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3hr7 n GLY 11 N 2.61 0.79 0.03 -5.12 0.00 -1.26 -4.95 105.19 97.29 3hr7 n GLY 11 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 3hr7 n GLY 11 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hr7 n SER 12 N 0.00 0.53 0.00 1.61 3.41 -1.01 -4.89 113.62 113.26 3hr7 n SER 12 Ca 0.00 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 3hr7 n SER 12 Cb 0.00 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 3hr7 n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hr7 n GLY 13 N 1.42 1.45 0.14 5.00 0.00 -1.26 -4.96 105.19 106.99 3hr7 n GLY 13 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 3hr7 n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hr7 h LYS 14 N 0.00 0.38 -0.30 1.61 1.57 -1.92 -1.82 116.57 116.10 3hr7 h LYS 14 Ca 0.00 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3hr7 h LYS 14 Cb 0.00 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3hr7 h LYS 14 CO 0.00 0.47 0.17 1.03 -0.57 0.00 0.00 179.45 180.55 3hr7 h SER 15 N 0.22 0.37 -0.72 0.86 0.87 -1.96 0.79 113.55 113.98 3hr7 h SER 15 Ca 0.08 -0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 3hr7 h SER 15 Cb 0.25 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.09 3hr7 h SER 15 CO -0.00 0.34 0.33 0.28 -0.53 0.00 0.00 176.83 177.24 3hr7 h SER 16 N 0.37 0.96 -0.38 6.23 0.02 -1.98 -1.88 113.55 116.88 3hr7 h SER 16 Ca 0.11 -0.15 -0.13 0.00 -0.84 0.00 0.00 61.79 60.78 3hr7 h SER 16 Cb 0.05 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 3hr7 h SER 16 CO -0.02 0.84 -0.26 0.25 -1.14 0.00 0.00 176.83 176.50 3hr7 h LEU 17 N 1.01 0.93 -0.83 5.07 5.85 -1.23 -2.48 115.31 123.64 3hr7 h LEU 17 Ca 0.25 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 3hr7 h LEU 17 Cb 0.15 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 3hr7 h LEU 17 CO -0.03 1.13 0.48 0.00 -0.34 0.00 0.00 178.44 179.68 3hr7 h ALA 18 N 0.93 1.05 -0.39 1.25 0.00 -0.53 -0.20 119.26 121.38 3hr7 h ALA 18 Ca 0.09 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3hr7 h ALA 18 Cb 0.82 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3hr7 h ALA 18 CO 0.07 0.53 0.04 1.96 0.00 0.00 0.00 179.25 181.85 3hr7 h GLN 19 N 1.14 0.67 -0.81 0.00 1.08 -1.19 -1.51 115.11 114.48 3hr7 h GLN 19 Ca 0.29 -0.19 -0.01 0.00 -1.45 0.00 0.00 58.65 57.29 3hr7 h GLN 19 Cb -0.02 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.30 3hr7 h GLN 19 CO -0.05 0.74 0.47 0.93 -0.95 0.00 0.00 178.83 179.97 3hr7 h GLU 20 N 0.50 1.11 -0.72 1.46 4.39 -1.30 -1.66 114.58 118.37 3hr7 h GLU 20 Ca 0.12 -0.11 -0.06 0.00 0.34 0.00 0.00 59.36 59.65 3hr7 h GLU 20 Cb 0.41 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 3hr7 h GLU 20 CO 0.01 0.80 0.23 -0.07 -1.16 0.00 0.00 179.01 178.82 3hr7 h LEU 21 N 1.12 1.04 -0.58 1.33 3.38 -0.88 -0.94 115.31 119.77 3hr7 h LEU 21 Ca 0.29 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 3hr7 h LEU 21 Cb -0.01 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 3hr7 h LEU 21 CO -0.05 0.97 0.02 1.23 0.09 0.00 0.00 178.44 180.69 3hr7 h GLY 22 N 1.05 1.10 0.98 0.83 0.00 -1.08 -0.70 103.07 105.25 3hr7 h GLY 22 Ca 0.23 -0.79 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 3hr7 h GLY 22 CO -0.01 0.73 0.20 1.41 0.00 0.00 0.00 176.54 178.87 3hr7 h LEU 23 N 0.91 0.39 -0.93 3.11 3.38 -1.14 0.12 115.31 121.15 3hr7 h LEU 23 Ca 0.17 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 3hr7 h LEU 23 Cb 0.53 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3hr7 h LEU 23 CO 0.03 0.33 -0.01 0.00 0.09 0.00 0.00 178.44 178.87 3hr7 h ALA 24 N 1.08 1.12 -0.03 1.53 0.00 -0.96 -3.15 119.26 118.84 3hr7 h ALA 24 Ca 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3hr7 h ALA 24 Cb 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3hr7 h ALA 24 CO -0.02 0.56 -0.06 1.28 0.00 0.00 0.00 179.25 181.01 3hr7 n LEU 25 N -4.21 2.77 -3.83 0.00 4.77 -0.29 -4.97 117.00 111.24 3hr7 n LEU 25 Ca 0.02 -0.93 -0.25 0.00 -0.03 0.00 0.00 56.01 54.82 3hr7 n LEU 25 Cb 0.30 -0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.41 3hr7 n LEU 25 CO 0.41 0.47 -0.07 0.29 -1.33 0.00 0.00 177.39 177.16 3hr7 n LYS 26 N 1.10 -4.57 -4.38 3.23 5.02 0.26 -5.01 118.16 113.81 3hr7 n LYS 26 Ca 0.14 0.55 -0.23 0.00 -2.02 0.00 0.00 58.31 56.75 3hr7 n LYS 26 Cb 0.57 -5.08 -0.11 0.00 -0.02 0.00 0.00 35.03 30.38 3hr7 n LYS 26 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hr7 s LEU 27 N -6.90 2.48 0.40 -0.35 1.43 -0.26 -5.04 118.68 110.44 3hr7 s LEU 27 Ca 0.18 -0.91 -0.24 0.00 -1.03 0.00 0.00 54.13 52.13 3hr7 s LEU 27 Cb -0.09 -0.94 -0.09 0.00 0.03 0.00 0.00 46.19 45.10 3hr7 s LEU 27 CO 0.84 0.00 1.03 -0.70 0.23 0.00 0.00 176.35 177.75 3hr7 s GLU 28 N -3.00 4.17 -0.08 1.70 2.12 -1.26 -4.52 118.70 117.82 3hr7 s GLU 28 Ca 0.20 1.45 0.03 0.00 0.36 0.00 0.00 54.97 57.02 3hr7 s GLU 28 Cb -0.05 -2.49 -0.01 0.00 0.26 0.00 0.00 34.13 31.83 3hr7 s GLU 28 CO 0.09 -0.12 -0.18 0.08 -0.54 0.00 0.00 175.26 174.58 3hr7 s VAL 29 N -1.73 2.62 0.11 3.70 1.01 -1.26 -1.39 120.40 123.47 3hr7 s VAL 29 Ca 0.58 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.79 3hr7 s VAL 29 Cb -0.20 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 3hr7 s VAL 29 CO 0.25 0.56 -0.18 -0.76 0.00 0.00 0.00 175.10 174.97 3hr7 s LEU 30 N -0.06 2.34 -0.11 3.92 1.43 0.74 -4.96 118.68 121.97 3hr7 s LEU 30 Ca -0.04 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.33 3hr7 s LEU 30 Cb -0.14 -0.76 0.02 0.00 0.03 0.00 0.00 46.19 45.34 3hr7 s LEU 30 CO 0.04 -0.01 -0.09 -0.62 0.23 0.00 0.00 176.35 175.90 3hr7 s ASP 31 N -2.12 2.14 0.19 2.29 2.15 -1.26 -1.16 116.67 118.90 3hr7 s ASP 31 Ca 0.07 -0.31 -0.09 0.00 0.43 0.00 0.00 52.55 52.65 3hr7 s ASP 31 Cb -0.08 -0.86 0.10 0.00 -0.30 0.00 0.00 42.92 41.78 3hr7 s ASP 31 CO 0.04 -0.09 1.69 0.71 -0.17 0.00 0.00 175.17 177.35 3hr7 h THR 32 N 6.14 1.26 -0.86 1.71 1.35 -1.68 -1.73 112.91 119.10 3hr7 h THR 32 Ca -0.31 -1.02 -0.01 0.00 -0.55 0.00 0.00 66.41 64.52 3hr7 h THR 32 Cb 1.14 0.62 -0.04 0.00 -1.73 0.00 0.00 68.15 68.14 3hr7 h THR 32 CO 0.43 0.39 0.50 0.44 -0.25 0.00 0.00 175.52 177.02 3hr7 h ASP 33 N 1.04 1.05 -0.02 5.36 3.32 -1.93 -1.46 116.42 123.78 3hr7 h ASP 33 Ca 0.21 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 3hr7 h ASP 33 Cb 0.43 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 3hr7 h ASP 33 CO 0.01 0.82 0.01 -0.03 -1.72 0.00 0.00 179.24 178.33 3hr7 h MET 34 N 1.19 0.03 -0.21 3.56 1.85 -1.88 -1.35 114.93 118.11 3hr7 h MET 34 Ca 0.31 -0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 59.39 3hr7 h MET 34 Cb -0.02 -0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.00 3hr7 h MET 34 CO -0.05 0.17 0.12 0.82 -0.40 0.00 0.00 176.91 177.57 3hr7 h ILE 35 N -0.12 1.09 -0.14 1.77 2.04 -1.17 -0.39 117.51 120.59 3hr7 h ILE 35 Ca 0.01 -0.21 0.02 0.00 1.00 0.00 0.00 64.86 65.68 3hr7 h ILE 35 Cb 0.15 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3hr7 h ILE 35 CO -0.00 0.08 0.01 0.40 0.00 0.00 0.00 178.15 178.65 3hr7 h ILE 36 N 0.25 0.92 -0.75 -0.67 2.04 -1.18 -1.03 117.51 117.09 3hr7 h ILE 36 Ca 0.07 -0.02 -0.04 0.00 1.00 0.00 0.00 64.86 65.87 3hr7 h ILE 36 Cb 0.03 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 3hr7 h ILE 36 CO -0.01 0.01 0.30 -1.28 0.00 0.00 0.00 178.15 177.17 3hr7 h SER 37 N 0.07 1.02 -0.50 1.72 0.87 -1.06 -0.04 113.55 115.63 3hr7 h SER 37 Ca 0.07 -0.15 -0.07 0.00 -1.23 0.00 0.00 61.79 60.40 3hr7 h SER 37 Cb 0.07 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 3hr7 h SER 37 CO -0.10 0.90 0.04 -0.33 -0.53 0.00 0.00 176.83 176.82 3hr7 h GLU 38 N 1.08 0.86 -0.09 2.24 4.39 -0.81 -0.79 114.58 121.46 3hr7 h GLU 38 Ca 0.25 -0.25 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 3hr7 h GLU 38 Cb 0.20 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 3hr7 h GLU 38 CO -0.02 0.87 -0.39 0.00 -1.16 0.00 0.00 179.01 178.31 3hr7 h ARG 39 N 0.73 0.42 -0.01 2.33 3.08 -0.93 -3.31 114.38 116.68 3hr7 h ARG 39 Ca 0.15 -0.33 -0.15 0.00 0.07 0.00 0.00 59.98 59.71 3hr7 h ARG 39 Cb 0.45 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 3hr7 h ARG 39 CO 0.02 0.97 -0.70 0.28 -1.07 0.00 0.00 179.97 179.46 3hr7 h VAL 40 N -0.03 1.47 0.00 2.04 2.07 -1.01 -3.47 116.25 117.32 3hr7 h VAL 40 Ca -0.02 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 65.18 3hr7 h VAL 40 Cb 1.03 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 3hr7 h VAL 40 CO 0.08 0.67 0.00 0.61 0.02 0.00 0.00 177.57 178.95 3hr7 n GLY 41 N 0.48 0.72 3.29 2.17 0.00 -0.31 -5.06 105.19 106.48 3hr7 n GLY 41 Ca -0.02 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.55 3hr7 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hr7 s LEU 42 N 0.00 2.35 0.88 0.99 1.43 -1.20 -5.06 118.68 118.07 3hr7 s LEU 42 Ca 0.00 -0.75 -0.11 0.00 -1.03 0.00 0.00 54.13 52.24 3hr7 s LEU 42 Cb 0.00 -0.80 0.12 0.00 0.03 0.00 0.00 46.19 45.53 3hr7 s LEU 42 CO 0.00 -0.00 1.09 -0.94 0.23 0.00 0.00 176.35 176.73 3hr7 s SER 43 N -2.20 3.61 0.21 2.29 1.04 -1.26 -4.42 113.70 112.96 3hr7 s SER 43 Ca 0.09 1.62 -0.09 0.00 0.48 0.00 0.00 55.95 58.04 3hr7 s SER 43 Cb -0.08 -2.29 0.24 0.00 0.10 0.00 0.00 66.02 63.99 3hr7 s SER 43 CO 0.05 -2.57 1.80 0.58 0.98 0.00 0.00 173.24 174.07 3hr7 h VAL 44 N -1.50 0.93 -0.56 5.02 2.07 -1.94 0.17 116.25 120.45 3hr7 h VAL 44 Ca -0.48 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 66.85 3hr7 h VAL 44 Cb 1.27 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 3hr7 h VAL 44 CO 0.53 0.11 0.35 -0.09 0.02 0.00 0.00 177.57 178.49 3hr7 h ARG 45 N 0.63 0.67 -0.70 1.57 2.43 -2.00 -1.72 114.38 115.26 3hr7 h ARG 45 Ca 0.30 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.37 3hr7 h ARG 45 Cb 0.22 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 3hr7 h ARG 45 CO -0.20 0.44 0.21 0.93 -1.51 0.00 0.00 179.97 179.85 3hr7 h GLU 46 N 0.69 1.07 -0.30 0.20 5.08 -1.72 -1.02 114.58 118.58 3hr7 h GLU 46 Ca 0.22 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3hr7 h GLU 46 Cb -0.00 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 3hr7 h GLU 46 CO -0.08 0.92 0.18 0.82 -1.00 0.00 0.00 179.01 179.84 3hr7 h ILE 47 N 1.03 1.03 -0.55 3.13 2.04 -0.23 0.24 117.51 124.21 3hr7 h ILE 47 Ca 0.23 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.96 3hr7 h ILE 47 Cb 0.30 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 3hr7 h ILE 47 CO -0.01 0.07 0.35 -0.26 0.00 0.00 0.00 178.15 178.30 3hr7 h PHE 48 N 0.36 0.70 -0.28 1.37 -1.00 -0.89 0.76 116.94 117.96 3hr7 h PHE 48 Ca 0.12 0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.87 3hr7 h PHE 48 Cb 0.00 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.32 3hr7 h PHE 48 CO -0.08 0.46 0.04 0.93 -1.61 0.00 0.00 178.31 178.06 3hr7 h GLU 49 N 0.74 0.46 0.05 1.51 4.39 -0.92 -2.64 114.58 118.17 3hr7 h GLU 49 Ca 0.20 -0.13 -0.36 0.00 0.34 0.00 0.00 59.36 59.41 3hr7 h GLU 49 Cb -0.05 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.50 3hr7 h GLU 49 CO -0.04 0.58 -2.16 0.39 -1.16 0.00 0.00 179.01 176.62 3hr7 n GLU 50 N -4.65 0.70 -0.00 2.33 -0.58 0.83 -4.52 120.64 114.74 3hr7 n GLU 50 Ca -0.03 0.20 0.06 0.00 -0.42 0.00 0.00 57.16 56.97 3hr7 n GLU 50 Cb 0.21 -1.64 -0.09 0.00 -0.57 0.00 0.00 31.44 29.35 3hr7 n GLU 50 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3hr7 n LEU 51 N -3.25 0.13 0.00 -4.62 4.77 0.17 -5.07 117.00 109.12 3hr7 n LEU 51 Ca -0.34 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 3hr7 n LEU 51 Cb 1.04 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.13 3hr7 n LEU 51 CO 0.38 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 3hr7 n GLY 52 N 1.67 0.66 0.37 -0.72 0.00 -0.67 -4.37 105.19 102.13 3hr7 n GLY 52 Ca -0.01 -1.67 0.09 0.00 0.00 0.00 0.00 46.02 44.43 3hr7 n GLY 52 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3hr7 h GLU 53 N 0.00 0.79 -0.77 1.61 9.09 -1.85 -2.42 114.58 121.04 3hr7 h GLU 53 Ca 0.00 -0.05 -0.04 0.00 0.05 0.00 0.00 59.36 59.32 3hr7 h GLU 53 Cb 0.00 -0.18 -0.03 0.00 -1.65 0.00 0.00 28.75 26.89 3hr7 h GLU 53 CO 0.00 0.53 0.32 -0.44 0.05 0.00 0.00 179.01 179.46 3hr7 h ASP 54 N 0.82 1.05 -0.24 3.06 3.32 -1.97 -0.03 116.42 122.43 3hr7 h ASP 54 Ca 0.44 -0.15 -0.10 0.00 0.02 0.00 0.00 57.03 57.24 3hr7 h ASP 54 Cb 0.55 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 3hr7 h ASP 54 CO -0.20 0.92 -0.23 0.78 -1.72 0.00 0.00 179.24 178.79 3hr7 h ASN 55 N 1.12 0.61 -0.67 6.45 2.35 -1.70 -1.05 115.58 122.69 3hr7 h ASN 55 Ca 0.26 -0.47 0.08 0.00 -0.55 0.00 0.00 56.30 55.62 3hr7 h ASN 55 Cb 0.19 -0.17 -0.06 0.00 0.05 0.00 0.00 38.32 38.33 3hr7 h ASN 55 CO -0.02 0.96 0.34 0.15 -1.65 0.00 0.00 177.43 177.21 3hr7 h PHE 56 N 0.28 0.62 -0.39 1.19 3.04 -1.04 -1.11 116.94 119.53 3hr7 h PHE 56 Ca 0.04 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 61.92 3hr7 h PHE 56 Cb 0.78 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 39.10 3hr7 h PHE 56 CO 0.08 0.25 -0.16 0.00 -2.02 0.00 0.00 178.31 176.46 3hr7 h ARG 57 N 0.61 0.71 -0.48 1.11 2.47 -0.89 0.02 114.38 117.93 3hr7 h ARG 57 Ca 0.32 -0.25 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 3hr7 h ARG 57 Cb 0.29 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.53 3hr7 h ARG 57 CO -0.23 0.84 0.31 1.98 0.56 0.00 0.00 179.97 183.43 3hr7 h MET 58 N 0.64 0.63 -0.66 0.04 4.05 -0.66 0.49 114.93 119.46 3hr7 h MET 58 Ca 0.10 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.46 3hr7 h MET 58 Cb 0.63 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 31.26 3hr7 h MET 58 CO 0.04 0.42 0.34 0.74 0.23 0.00 0.00 176.91 178.68 3hr7 h PHE 59 N 0.65 0.94 -0.22 1.39 0.05 -0.52 -1.05 116.94 118.17 3hr7 h PHE 59 Ca 0.17 -0.04 -0.01 0.00 3.82 0.00 0.00 57.97 61.92 3hr7 h PHE 59 Cb -0.07 -0.29 -0.01 0.00 2.00 0.00 0.00 35.95 37.58 3hr7 h PHE 59 CO -0.04 0.69 0.09 1.49 -0.18 0.00 0.00 178.31 180.36 3hr7 h GLU 60 N 0.91 0.33 -0.42 1.51 4.81 -0.63 -0.44 114.58 120.65 3hr7 h GLU 60 Ca 0.23 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.41 3hr7 h GLU 60 Cb 0.09 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 3hr7 h GLU 60 CO -0.03 0.38 0.27 -0.22 -0.73 0.00 0.00 179.01 178.68 3hr7 h LYS 61 N 0.21 0.54 -0.67 1.92 3.64 0.16 -1.17 116.57 121.20 3hr7 h LYS 61 Ca 0.07 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3hr7 h LYS 61 Cb 0.17 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 3hr7 h LYS 61 CO -0.01 0.36 0.43 -0.91 -2.27 0.00 0.00 179.45 177.05 3hr7 h ASN 62 N 0.56 0.78 -0.85 4.20 2.35 -1.13 -2.16 115.58 119.33 3hr7 h ASN 62 Ca 0.16 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 3hr7 h ASN 62 Cb -0.05 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.09 3hr7 h ASN 62 CO -0.04 0.58 0.48 0.25 -1.65 0.00 0.00 177.43 177.05 3hr7 h LEU 63 N 0.91 1.06 -0.34 1.61 5.85 -0.80 -1.22 115.31 122.37 3hr7 h LEU 63 Ca 0.24 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3hr7 h LEU 63 Cb -0.08 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.67 3hr7 h LEU 63 CO -0.05 0.84 0.18 0.40 -0.34 0.00 0.00 178.44 179.47 3hr7 h ILE 64 N 1.19 1.15 -0.76 4.05 2.04 -0.89 0.22 117.51 124.52 3hr7 h ILE 64 Ca 0.30 -0.42 0.02 0.00 1.00 0.00 0.00 64.86 65.76 3hr7 h ILE 64 Cb 0.01 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 3hr7 h ILE 64 CO -0.05 0.16 0.49 0.44 0.00 0.00 0.00 178.15 179.19 3hr7 h ASP 65 N 0.43 0.83 -0.25 1.72 3.32 -1.20 -1.50 116.42 119.78 3hr7 h ASP 65 Ca 0.12 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 3hr7 h ASP 65 Cb 0.09 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3hr7 h ASP 65 CO -0.02 0.59 0.09 -0.08 -1.72 0.00 0.00 179.24 178.11 3hr7 h GLU 66 N 0.99 0.38 0.00 3.56 4.81 -0.49 -3.01 114.58 120.81 3hr7 h GLU 66 Ca 0.29 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.39 3hr7 h GLU 66 Cb -0.06 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 3hr7 h GLU 66 CO -0.08 0.43 -0.26 -0.07 -0.73 0.00 0.00 179.01 178.30 3hr7 h LEU 67 N 0.24 0.00 -2.30 1.64 3.38 -0.26 -1.80 115.31 116.21 3hr7 h LEU 67 Ca 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3hr7 h LEU 67 Cb 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3hr7 h LEU 67 CO -0.01 0.26 -0.05 0.11 0.09 0.00 0.00 178.44 178.84 3hr7 h LYS 68 N 0.00 0.00 -0.00 1.13 1.57 -1.14 -2.17 116.57 115.96 3hr7 h LYS 68 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hr7 h LYS 68 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 3hr7 h LYS 68 CO 0.03 0.05 -0.05 0.25 -0.57 0.00 0.00 179.45 179.16 3hr7 n THR 69 N -3.51 0.00 -2.92 -0.16 -2.24 -0.68 -4.71 114.28 100.06 3hr7 n THR 69 Ca -0.02 -0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.33 3hr7 n THR 69 Cb 0.16 -0.40 -0.05 0.00 -2.10 0.00 0.00 70.33 67.94 3hr7 n THR 69 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hr7 s LEU 70 N -2.75 4.08 0.08 3.22 1.43 -0.82 -4.92 118.68 119.01 3hr7 s LEU 70 Ca 0.22 0.61 -0.04 0.00 -1.03 0.00 0.00 54.13 53.90 3hr7 s LEU 70 Cb 0.20 -3.11 -0.26 0.00 0.03 0.00 0.00 46.19 43.05 3hr7 s LEU 70 CO 0.50 -0.68 1.17 0.11 0.23 0.00 0.00 176.35 177.69 3hr7 h LYS 71 N 8.22 0.27 -6.56 1.70 1.57 -1.87 -3.44 116.57 116.46 3hr7 h LYS 71 Ca -0.24 -0.44 -0.53 0.00 -1.87 0.00 0.00 60.65 57.57 3hr7 h LYS 71 Cb 1.09 0.16 0.03 0.00 0.08 0.00 0.00 32.23 33.60 3hr7 h LYS 71 CO 0.91 1.20 0.85 0.99 -0.57 0.00 0.00 179.45 182.82 3hr7 s THR 72 N -2.73 2.89 0.22 -0.16 2.01 -1.26 -4.80 115.64 111.81 3hr7 s THR 72 Ca -0.04 0.61 -0.30 0.00 0.31 0.00 0.00 61.69 62.27 3hr7 s THR 72 Cb 0.07 -3.39 -0.09 0.00 0.01 0.00 0.00 72.50 69.10 3hr7 s THR 72 CO 0.88 0.04 1.37 -2.16 -0.69 0.00 0.00 174.62 174.06 3hr7 s PRO 73 N 1.34 4.34 0.20 4.92 0.04 -1.25 -4.89 135.00 139.69 3hr7 s PRO 73 Ca 0.69 2.17 0.11 0.00 0.04 0.00 0.00 61.00 64.00 3hr7 s PRO 73 Cb -0.41 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 30.93 3hr7 s PRO 73 CO 0.31 -0.32 -0.18 -1.01 0.04 0.00 0.00 177.00 175.83 3hr7 s HIS 74 N 0.04 2.41 -0.03 0.56 3.76 -1.26 -4.51 115.29 116.27 3hr7 s HIS 74 Ca 0.58 -0.31 -0.18 0.00 -0.15 0.00 0.00 55.06 55.00 3hr7 s HIS 74 Cb -0.39 -1.17 -0.05 0.00 1.11 0.00 0.00 32.58 32.08 3hr7 s HIS 74 CO 0.41 0.54 0.50 0.08 -0.85 0.00 0.00 174.74 175.41 3hr7 s VAL 75 N -1.81 5.01 -0.15 -0.90 1.01 -0.49 -1.67 120.40 121.40 3hr7 s VAL 75 Ca 0.24 1.02 -0.02 0.00 0.00 0.00 0.00 61.98 63.22 3hr7 s VAL 75 Cb -0.08 -3.82 0.05 0.00 0.00 0.00 0.00 36.38 32.53 3hr7 s VAL 75 CO 0.12 0.46 0.02 -0.63 0.00 0.00 0.00 175.10 175.07 3hr7 s ILE 76 N -0.35 0.52 0.29 2.22 1.01 0.06 -0.19 121.20 124.77 3hr7 s ILE 76 Ca 0.27 -0.33 -0.13 0.00 0.00 0.00 0.00 60.65 60.45 3hr7 s ILE 76 Cb -0.17 -0.88 -0.08 0.00 0.01 0.00 0.00 42.46 41.34 3hr7 s ILE 76 CO 0.14 -0.02 0.67 -0.94 0.00 0.00 0.00 174.94 174.79 3hr7 s SER 77 N 1.88 6.73 0.13 3.58 1.04 -0.31 -1.18 113.70 125.58 3hr7 s SER 77 Ca 0.01 1.17 0.03 0.00 0.48 0.00 0.00 55.95 57.64 3hr7 s SER 77 Cb -0.15 -2.33 -0.04 0.00 0.10 0.00 0.00 66.02 63.60 3hr7 s SER 77 CO -0.07 -0.15 -0.07 0.42 0.98 0.00 0.00 173.24 174.34 3hr7 s THR 78 N -1.92 0.93 0.76 2.02 -4.23 -1.17 -1.63 115.64 110.40 3hr7 s THR 78 Ca 0.52 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.91 3hr7 s THR 78 Cb -0.11 -1.83 0.05 0.00 1.34 0.00 0.00 72.50 71.95 3hr7 s THR 78 CO 0.19 -0.75 1.13 -0.83 -0.54 0.00 0.00 174.62 173.82 3hr7 s GLY 79 N -3.13 1.61 0.36 3.99 0.00 -1.26 -4.88 107.32 104.02 3hr7 s GLY 79 Ca 0.16 -0.52 0.06 0.00 0.00 0.00 0.00 44.72 44.42 3hr7 s GLY 79 CO -0.01 -0.10 1.96 -1.33 0.00 0.00 0.00 173.10 173.62 3hr7 h GLY 80 N -0.84 0.95 -1.50 0.20 0.00 -1.93 -2.74 103.07 97.21 3hr7 h GLY 80 Ca -0.45 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.58 3hr7 h GLY 80 CO 0.65 0.21 0.00 0.61 0.00 0.00 0.00 176.54 178.01 3hr7 n GLY 81 N -1.45 0.91 0.34 4.60 0.00 -1.26 -4.32 105.19 104.00 3hr7 n GLY 81 Ca 0.11 -0.57 0.17 0.00 0.00 0.00 0.00 46.02 45.72 3hr7 n GLY 81 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3hr7 h ILE 82 N 3.35 0.59 0.00 -0.61 2.10 -1.88 -2.51 117.51 118.56 3hr7 h ILE 82 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3hr7 h ILE 82 Cb 0.73 0.84 0.00 0.00 -1.09 0.00 0.00 36.82 37.30 3hr7 h ILE 82 CO 0.00 0.00 0.00 1.33 -1.08 0.00 0.00 178.15 178.40 3hr7 n VAL 83 N -4.01 1.48 0.47 2.19 0.24 -1.26 -1.71 118.33 115.73 3hr7 n VAL 83 Ca 0.03 0.43 0.12 0.00 -2.04 0.00 0.00 64.34 62.87 3hr7 n VAL 83 Cb 0.35 -1.34 0.47 0.00 -1.47 0.00 0.00 33.84 31.84 3hr7 n VAL 83 CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 3hr7 n MET 84 N -1.65 0.21 -2.73 7.34 0.00 -0.95 -4.81 117.12 114.54 3hr7 n MET 84 Ca 0.01 0.35 -0.41 0.00 0.00 0.00 0.00 57.70 57.65 3hr7 n MET 84 Cb 0.08 -1.85 -0.04 0.00 0.00 0.00 0.00 33.22 31.41 3hr7 n MET 84 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 175.97 174.96 3hr7 s HIS 85 N -3.25 3.76 0.39 3.17 4.02 -0.69 -4.95 115.29 117.74 3hr7 s HIS 85 Ca 0.06 1.76 0.09 0.00 1.02 0.00 0.00 55.06 57.99 3hr7 s HIS 85 Cb 0.10 -3.07 0.79 0.00 -1.02 0.00 0.00 32.58 29.38 3hr7 s HIS 85 CO 0.46 0.13 1.94 1.49 1.02 0.00 0.00 174.74 179.78 3hr7 h GLU 86 N 5.99 0.30 -0.02 1.40 4.81 -1.90 -2.94 114.58 122.23 3hr7 h GLU 86 Ca -0.42 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3hr7 h GLU 86 Cb 1.21 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3hr7 h GLU 86 CO 0.73 0.38 0.00 0.27 -0.73 0.00 0.00 179.01 179.66 3hr7 n ASN 87 N -4.31 0.33 0.29 1.04 2.04 -1.26 -4.29 115.26 109.09 3hr7 n ASN 87 Ca -0.00 -1.29 -0.15 0.00 -0.44 0.00 0.00 54.58 52.70 3hr7 n ASN 87 Cb 0.23 -0.01 -0.08 0.00 -2.53 0.00 0.00 39.78 37.39 3hr7 n ASN 87 CO 0.00 0.00 0.00 0.25 -0.44 0.00 0.00 177.26 177.07 3hr7 h LEU 88 N 0.48 -0.62 -9.47 -4.53 6.46 -1.85 -3.27 115.31 102.51 3hr7 h LEU 88 Ca 0.00 -0.05 -0.54 0.00 -0.12 0.00 0.00 57.88 57.18 3hr7 h LEU 88 Cb 0.10 0.16 0.01 0.00 -0.73 0.00 0.00 40.66 40.20 3hr7 h LEU 88 CO 0.00 -0.30 0.66 -0.54 -0.62 0.00 0.00 178.44 177.64 3hr7 s LYS 89 N -5.17 4.37 0.00 1.25 1.02 -1.26 -1.62 119.74 118.33 3hr7 s LYS 89 Ca -0.15 1.88 0.00 0.00 0.02 0.00 0.00 55.97 57.72 3hr7 s LYS 89 Cb 0.02 -3.37 0.00 0.00 -0.52 0.00 0.00 37.83 33.96 3hr7 s LYS 89 CO 0.54 -0.37 0.00 0.41 -0.92 0.00 0.00 175.35 175.01 3hr7 n GLY 90 N 3.38 2.63 0.24 -3.33 0.00 -1.26 -4.96 105.19 101.89 3hr7 n GLY 90 Ca 0.10 -0.62 -0.07 0.00 0.00 0.00 0.00 46.02 45.44 3hr7 n GLY 90 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hr7 h LEU 91 N 0.00 0.65 0.00 0.99 5.85 -1.35 -3.49 115.31 117.95 3hr7 h LEU 91 Ca 0.00 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.46 3hr7 h LEU 91 Cb 0.00 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.85 3hr7 h LEU 91 CO 0.00 0.93 0.00 0.61 -0.34 0.00 0.00 178.44 179.64 3hr7 n GLY 92 N -0.13 -0.58 3.66 3.75 0.00 -1.26 -4.31 105.19 106.31 3hr7 n GLY 92 Ca -0.01 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 3hr7 n GLY 92 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hr7 s THR 93 N -3.60 4.52 -0.10 2.61 2.01 0.20 -4.89 115.64 116.39 3hr7 s THR 93 Ca 0.00 1.83 -0.06 0.00 0.31 0.00 0.00 61.69 63.77 3hr7 s THR 93 Cb 0.00 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 3hr7 s THR 93 CO 0.00 -0.14 0.12 0.42 -0.69 0.00 0.00 174.62 174.33 3hr7 s THR 94 N 3.18 5.33 -0.16 -0.82 -4.23 -1.26 -0.89 115.64 116.78 3hr7 s THR 94 Ca 0.49 0.10 0.01 0.00 -1.18 0.00 0.00 61.69 61.11 3hr7 s THR 94 Cb -0.18 -3.33 0.03 0.00 1.34 0.00 0.00 72.50 70.35 3hr7 s THR 94 CO 0.11 0.59 -0.14 -0.36 -0.54 0.00 0.00 174.62 174.28 3hr7 s PHE 95 N -1.04 2.29 -0.33 3.99 0.40 0.23 -0.47 117.98 123.04 3hr7 s PHE 95 Ca 0.16 -1.35 -0.25 0.00 -0.60 0.00 0.00 56.93 54.89 3hr7 s PHE 95 Cb -0.12 -1.64 0.01 0.00 0.51 0.00 0.00 43.02 41.78 3hr7 s PHE 95 CO 0.05 -0.70 0.88 -0.47 0.70 0.00 0.00 175.22 175.68 3hr7 s TYR 96 N 1.45 3.16 -0.96 0.36 5.04 -0.23 -0.59 117.35 125.58 3hr7 s TYR 96 Ca 0.03 0.87 -0.22 0.00 -2.44 0.00 0.00 57.07 55.31 3hr7 s TYR 96 Cb -0.14 -3.42 0.07 0.00 0.35 0.00 0.00 41.96 38.82 3hr7 s TYR 96 CO -0.10 -0.68 1.35 -1.17 -1.34 0.00 0.00 175.55 173.61 3hr7 s LEU 97 N 3.22 3.85 -0.38 6.97 2.96 -0.57 -0.60 118.68 134.13 3hr7 s LEU 97 Ca 0.36 -1.48 -0.25 0.00 -0.22 0.00 0.00 54.13 52.54 3hr7 s LEU 97 Cb -0.13 -2.53 0.02 0.00 0.50 0.00 0.00 46.19 44.05 3hr7 s LEU 97 CO 0.15 -1.43 0.87 -0.75 -1.32 0.00 0.00 176.35 173.86 3hr7 s LYS 98 N 4.50 3.75 -0.02 1.98 2.20 -0.12 -4.69 119.74 127.34 3hr7 s LYS 98 Ca 0.41 0.40 0.07 0.00 -0.36 0.00 0.00 55.97 56.49 3hr7 s LYS 98 Cb -0.02 -3.83 -0.02 0.00 -1.51 0.00 0.00 37.83 32.45 3hr7 s LYS 98 CO -0.07 -0.96 -0.22 1.41 -0.36 0.00 0.00 175.35 175.15 3hr7 s MET 99 N 3.38 1.78 0.42 4.03 -2.45 -1.26 -1.08 119.30 124.12 3hr7 s MET 99 Ca 0.35 -0.79 -0.26 0.00 -1.25 0.00 0.00 55.69 53.75 3hr7 s MET 99 Cb -0.12 -1.72 -0.09 0.00 1.25 0.00 0.00 34.83 34.15 3hr7 s MET 99 CO 0.19 0.47 1.35 0.16 1.05 0.00 0.00 175.02 178.25 3hr7 s ASP 100 N -0.52 6.16 0.39 1.11 -4.77 -1.26 -4.86 116.67 112.92 3hr7 s ASP 100 Ca 0.08 2.76 0.06 0.00 -3.30 0.00 0.00 52.55 52.16 3hr7 s ASP 100 Cb -0.08 -2.64 0.78 0.00 -1.09 0.00 0.00 42.92 39.88 3hr7 s ASP 100 CO -0.01 -0.96 2.00 -0.26 0.70 0.00 0.00 175.17 176.64 3hr7 h PHE 101 N 2.57 0.52 -0.50 2.11 0.04 -1.99 -1.76 116.94 117.92 3hr7 h PHE 101 Ca -0.50 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.26 3hr7 h PHE 101 Cb 1.25 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 39.21 3hr7 h PHE 101 CO 0.52 0.39 0.32 0.93 -0.60 0.00 0.00 178.31 179.86 3hr7 h GLU 102 N 0.53 0.68 -0.34 1.51 3.07 -2.00 0.26 114.58 118.30 3hr7 h GLU 102 Ca 0.14 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.36 58.85 3hr7 h GLU 102 Cb 0.06 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.82 3hr7 h GLU 102 CO -0.02 0.48 -0.16 1.15 -1.40 0.00 0.00 179.01 179.05 3hr7 h THR 103 N 0.68 1.29 -0.47 1.13 2.02 -1.72 -2.49 112.91 113.35 3hr7 h THR 103 Ca 0.18 -1.28 0.08 0.00 0.77 0.00 0.00 66.41 66.17 3hr7 h THR 103 Cb -0.04 1.40 -0.07 0.00 -1.74 0.00 0.00 68.15 67.70 3hr7 h THR 103 CO -0.04 0.42 0.07 0.25 0.37 0.00 0.00 175.52 176.58 3hr7 h LEU 104 N 0.48 -0.06 -0.67 2.58 5.85 -0.96 -1.92 115.31 120.62 3hr7 h LEU 104 Ca 0.08 0.09 -0.11 0.00 0.84 0.00 0.00 57.88 58.77 3hr7 h LEU 104 Cb 0.70 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 3hr7 h LEU 104 CO 0.05 -0.00 -0.19 0.40 -0.34 0.00 0.00 178.44 178.35 3hr7 h ILE 105 N 0.19 1.27 -0.48 4.05 2.04 -0.87 -2.49 117.51 121.22 3hr7 h ILE 105 Ca 0.24 -1.31 -0.00 0.00 1.00 0.00 0.00 64.86 64.78 3hr7 h ILE 105 Cb 0.33 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 3hr7 h ILE 105 CO -0.34 0.44 0.29 0.11 0.00 0.00 0.00 178.15 178.66 3hr7 h LYS 106 N 0.73 0.65 0.00 2.37 1.57 -1.06 -3.52 116.57 117.31 3hr7 h LYS 106 Ca 0.10 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3hr7 h LYS 106 Cb 0.72 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.89 3hr7 h LYS 106 CO 0.06 0.46 0.00 0.54 -0.57 0.00 0.00 179.45 179.93 3hr7 n ARG 107 N -4.44 0.16 0.00 3.15 1.74 -0.76 -5.12 116.66 111.40 3hr7 n ARG 107 Ca 0.04 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 3hr7 n ARG 107 Cb 0.08 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 29.81 3hr7 n ARG 107 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3hr7 n LEU 119 N -1.98 0.00 -4.02 0.55 4.77 -1.26 -5.02 117.00 110.04 3hr7 n LEU 119 Ca 0.05 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.78 3hr7 n LEU 119 Cb 0.36 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.29 3hr7 n LEU 119 CO 0.27 0.00 -0.47 0.21 -1.33 0.00 0.00 177.39 176.07 3hr7 s ASN 120 N 0.00 1.89 0.63 -1.43 3.84 -1.26 -5.02 114.94 113.59 3hr7 s ASN 120 Ca 0.00 -0.31 0.34 0.00 0.21 0.00 0.00 52.86 53.09 3hr7 s ASN 120 Cb 0.00 -0.86 1.88 0.00 -0.55 0.00 0.00 41.25 41.72 3hr7 s ASN 120 CO 0.00 0.02 2.13 0.78 -2.79 0.00 0.00 177.10 177.24 3hr7 h ASN 121 N 7.13 0.00 -0.21 -4.21 2.35 -2.02 -2.37 115.58 116.26 3hr7 h ASN 121 Ca -0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 3hr7 h ASN 121 Cb 1.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.55 3hr7 h ASN 121 CO 0.47 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 176.43 3hr7 n LEU 122 N -3.35 2.92 -4.77 1.61 4.77 -1.26 -4.94 117.00 111.98 3hr7 n LEU 122 Ca -0.01 -1.31 -0.29 0.00 -0.03 0.00 0.00 56.01 54.37 3hr7 n LEU 122 Cb 0.27 -0.13 -0.07 0.00 -2.33 0.00 0.00 43.42 41.16 3hr7 n LEU 122 CO 0.22 0.59 -0.18 0.42 -1.33 0.00 0.00 177.39 177.11 3hr7 s THR 123 N -1.42 1.61 0.05 -5.08 -4.23 -0.89 -5.08 115.64 100.61 3hr7 s THR 123 Ca 0.28 -1.83 0.05 0.00 -1.18 0.00 0.00 61.69 59.01 3hr7 s THR 123 Cb 0.18 -2.45 -0.23 0.00 1.34 0.00 0.00 72.50 71.33 3hr7 s THR 123 CO 0.25 0.00 1.02 1.56 -0.54 0.00 0.00 174.62 176.91 3hr7 h GLN 124 N 1.30 0.07 -0.88 3.99 4.20 -1.92 -3.37 115.11 118.50 3hr7 h GLN 124 Ca -0.42 -0.12 0.01 0.00 0.06 0.00 0.00 58.65 58.18 3hr7 h GLN 124 Cb 1.29 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 29.07 3hr7 h GLN 124 CO 0.71 0.91 0.58 0.00 -0.67 0.00 0.00 178.83 180.37 3hr7 h ALA 125 N 0.86 1.38 -0.45 3.87 0.00 -1.98 -1.93 119.26 121.01 3hr7 h ALA 125 Ca -0.14 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.80 3hr7 h ALA 125 Cb 1.90 -0.35 -0.07 0.00 0.00 0.00 0.00 17.79 19.27 3hr7 h ALA 125 CO 0.13 0.57 0.03 -0.22 0.00 0.00 0.00 179.25 179.76 3hr7 h LYS 126 N 1.18 0.14 -0.97 0.00 3.11 -1.79 -0.50 116.57 117.73 3hr7 h LYS 126 Ca 0.33 -0.01 0.10 0.00 -2.81 0.00 0.00 60.65 58.26 3hr7 h LYS 126 Cb -0.12 -0.03 -0.08 0.00 -1.00 0.00 0.00 32.23 31.00 3hr7 h LYS 126 CO -0.07 0.10 0.62 0.93 -2.81 0.00 0.00 179.45 178.21 3hr7 h GLU 127 N 0.15 0.97 -0.30 1.90 5.08 -1.58 0.84 114.58 121.65 3hr7 h GLU 127 Ca 0.22 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 3hr7 h GLU 127 Cb 0.32 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3hr7 h GLU 127 CO -0.35 0.64 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.22 3hr7 h LEU 128 N 1.00 0.53 -0.71 1.33 3.38 -0.91 -0.61 115.31 119.33 3hr7 h LEU 128 Ca 0.46 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3hr7 h LEU 128 Cb 0.40 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3hr7 h LEU 128 CO -0.22 0.73 0.28 -0.26 0.09 0.00 0.00 178.44 179.06 3hr7 h PHE 129 N 0.33 1.08 -0.63 1.13 0.04 -0.70 -1.94 116.94 116.25 3hr7 h PHE 129 Ca 0.08 -0.08 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 3hr7 h PHE 129 Cb 0.46 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 38.26 3hr7 h PHE 129 CO 0.04 0.84 0.32 0.93 -0.60 0.00 0.00 178.31 179.84 3hr7 h GLU 130 N 1.02 0.90 -0.83 1.51 5.08 -0.66 -1.12 114.58 120.48 3hr7 h GLU 130 Ca 0.24 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3hr7 h GLU 130 Cb 0.21 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 3hr7 h GLU 130 CO -0.02 0.71 0.52 0.87 -1.00 0.00 0.00 179.01 180.09 3hr7 h LYS 131 N 0.87 1.11 -0.24 2.33 1.57 -0.87 -0.52 116.57 120.81 3hr7 h LYS 131 Ca 0.22 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3hr7 h LYS 131 Cb 0.09 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 3hr7 h LYS 131 CO -0.03 0.76 0.11 0.00 -0.57 0.00 0.00 179.45 179.72 3hr7 h ARG 132 N 1.13 0.35 -0.69 3.15 2.47 -1.05 -1.86 114.38 117.88 3hr7 h ARG 132 Ca 0.30 -0.06 0.10 0.00 -1.26 0.00 0.00 59.98 59.07 3hr7 h ARG 132 Cb -0.08 -0.06 -0.08 0.00 -1.65 0.00 0.00 29.97 28.11 3hr7 h ARG 132 CO -0.06 0.37 0.30 0.37 0.56 0.00 0.00 179.97 181.51 3hr7 h GLN 133 N 0.25 0.49 -0.99 0.04 4.15 -0.91 -0.61 115.11 117.54 3hr7 h GLN 133 Ca 0.08 -0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.58 3hr7 h GLN 133 Cb 0.14 -0.11 -0.08 0.00 0.21 0.00 0.00 27.48 27.64 3hr7 h GLN 133 CO -0.01 0.33 0.63 0.00 -1.93 0.00 0.00 178.83 177.85 3hr7 h ALA 134 N 1.45 1.51 -0.58 3.38 0.00 -0.72 0.52 119.26 124.82 3hr7 h ALA 134 Ca 0.35 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 3hr7 h ALA 134 Cb 0.43 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3hr7 h ALA 134 CO -0.31 0.27 0.21 -0.07 0.00 0.00 0.00 179.25 179.35 3hr7 h LEU 135 N 1.02 0.82 -0.34 0.00 3.38 -0.32 -0.79 115.31 119.08 3hr7 h LEU 135 Ca 0.47 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.22 3hr7 h LEU 135 Cb 0.40 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3hr7 h LEU 135 CO -0.23 0.79 0.09 1.88 0.09 0.00 0.00 178.44 181.06 3hr7 h TYR 136 N 0.81 0.57 -0.68 1.13 0.99 -0.39 -2.44 116.97 116.95 3hr7 h TYR 136 Ca 0.19 -0.06 0.01 0.00 2.00 0.00 0.00 58.73 60.87 3hr7 h TYR 136 Cb 0.24 -0.16 -0.04 0.00 1.00 0.00 0.00 36.73 37.77 3hr7 h TYR 136 CO 0.01 0.57 0.45 0.93 -0.00 0.00 0.00 178.16 180.12 3hr7 h GLU 137 N 0.40 0.88 -0.14 4.88 5.08 -0.84 -1.58 114.58 123.26 3hr7 h GLU 137 Ca 0.11 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 3hr7 h GLU 137 Cb 0.28 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3hr7 h GLU 137 CO -0.00 0.58 0.10 -0.22 -1.00 0.00 0.00 179.01 178.47 3hr7 h LYS 138 N 0.91 0.00 -0.62 2.33 3.64 -1.01 -2.62 116.57 119.19 3hr7 h LYS 138 Ca 0.25 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3hr7 h LYS 138 Cb -0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 3hr7 h LYS 138 CO -0.06 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.21 3hr7 n ASN 139 N -4.48 3.77 -4.59 4.20 3.02 -0.68 -4.96 115.26 111.53 3hr7 n ASN 139 Ca 0.00 -2.06 -0.34 0.00 -0.03 0.00 0.00 54.58 52.15 3hr7 n ASN 139 Cb 0.23 -0.43 -0.10 0.00 -0.61 0.00 0.00 39.78 38.86 3hr7 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hr7 s ALA 140 N -1.11 3.30 0.19 5.41 0.00 -0.70 -4.74 121.76 124.12 3hr7 s ALA 140 Ca 0.42 -0.78 -0.08 0.00 0.00 0.00 0.00 51.96 51.52 3hr7 s ALA 140 Cb 0.23 -1.84 0.09 0.00 0.00 0.00 0.00 23.12 21.59 3hr7 s ALA 140 CO 0.28 0.15 1.62 0.77 0.00 0.00 0.00 175.76 178.58 3hr7 h SER 141 N 6.77 0.99 -4.69 0.00 0.02 -1.09 -3.46 113.55 112.09 3hr7 h SER 141 Ca -0.36 -0.32 -0.18 0.00 -0.84 0.00 0.00 61.79 60.09 3hr7 h SER 141 Cb 1.17 -0.27 -0.23 0.00 0.14 0.00 0.00 62.40 63.22 3hr7 h SER 141 CO 0.68 1.10 -0.70 -0.36 -1.14 0.00 0.00 176.83 176.41 3hr7 s PHE 142 N -4.86 0.19 -0.20 3.45 0.08 -0.70 -5.00 117.98 110.93 3hr7 s PHE 142 Ca -0.11 -0.39 -0.05 0.00 0.12 0.00 0.00 56.93 56.50 3hr7 s PHE 142 Cb 0.13 -0.14 -0.02 0.00 -0.57 0.00 0.00 43.02 42.42 3hr7 s PHE 142 CO 0.86 -0.15 0.00 0.42 -0.10 0.00 0.00 175.22 176.25 3hr7 s ILE 143 N -1.12 3.97 -0.21 0.64 1.01 -1.26 -1.06 121.20 123.16 3hr7 s ILE 143 Ca -0.12 -0.31 -0.10 0.00 0.00 0.00 0.00 60.65 60.12 3hr7 s ILE 143 Cb -0.08 -2.80 -0.05 0.00 0.01 0.00 0.00 42.46 39.55 3hr7 s ILE 143 CO -0.01 0.42 0.15 -0.63 0.00 0.00 0.00 174.94 174.87 3hr7 s ILE 144 N 1.04 5.39 -0.43 2.92 1.01 0.23 -4.96 121.20 126.40 3hr7 s ILE 144 Ca 0.02 0.20 -0.28 0.00 0.00 0.00 0.00 60.65 60.59 3hr7 s ILE 144 Cb -0.14 -3.49 0.01 0.00 0.01 0.00 0.00 42.46 38.84 3hr7 s ILE 144 CO 0.02 0.40 1.48 -0.62 0.00 0.00 0.00 174.94 176.22 3hr7 s ASP 145 N 0.64 6.20 0.00 3.58 -1.08 -1.26 -0.94 116.67 123.81 3hr7 s ASP 145 Ca 0.08 0.79 0.29 0.00 -0.52 0.00 0.00 52.55 53.19 3hr7 s ASP 145 Cb -0.12 -2.54 1.22 0.00 -1.46 0.00 0.00 42.92 40.02 3hr7 s ASP 145 CO 0.01 -1.55 1.85 0.00 0.52 0.00 0.00 175.17 176.00 3hr7 n ALA 146 N 9.28 2.76 0.27 3.66 0.00 -0.24 -4.26 120.51 131.98 3hr7 n ALA 146 Ca 0.17 -0.27 0.16 0.00 0.00 0.00 0.00 53.44 53.50 3hr7 n ALA 146 Cb 0.48 -1.33 0.73 0.00 0.00 0.00 0.00 19.45 19.32 3hr7 n ALA 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hr7 h ARG 147 N 0.56 0.00 -0.01 0.00 3.08 -1.91 -2.73 114.38 113.38 3hr7 h ARG 147 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hr7 h ARG 147 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3hr7 h ARG 147 CO 0.00 0.06 -0.05 0.41 -1.07 0.00 0.00 179.97 179.32 3hr7 n GLY 148 N -0.21 -0.54 0.00 0.04 0.00 -1.26 -5.04 105.19 98.18 3hr7 n GLY 148 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3hr7 n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hr7 n GLY 149 N 1.17 0.09 0.14 -0.02 0.00 -1.03 -4.47 105.19 101.08 3hr7 n GLY 149 Ca 0.18 -1.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.21 3hr7 n GLY 149 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hr7 h LEU 150 N 0.00 0.33 -0.67 0.99 5.85 -1.97 -0.78 115.31 119.07 3hr7 h LEU 150 Ca 0.00 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 3hr7 h LEU 150 Cb 0.00 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3hr7 h LEU 150 CO 0.00 0.24 -0.16 -1.13 -0.34 0.00 0.00 178.44 177.05 3hr7 h ASN 151 N 0.39 0.88 -0.81 1.25 -1.24 -1.99 0.78 115.58 114.83 3hr7 h ASN 151 Ca 0.11 -0.30 -0.04 0.00 0.71 0.00 0.00 56.30 56.78 3hr7 h ASN 151 Cb -0.04 -0.24 -0.04 0.00 0.73 0.00 0.00 38.32 38.73 3hr7 h ASN 151 CO -0.03 1.03 0.34 -1.13 -1.29 0.00 0.00 177.43 176.35 3hr7 h ASN 152 N 0.77 1.11 -0.24 1.15 -1.24 -1.70 -1.03 115.58 114.41 3hr7 h ASN 152 Ca 0.12 -0.17 -0.02 0.00 0.71 0.00 0.00 56.30 56.94 3hr7 h ASN 152 Cb 0.68 -0.29 -0.01 0.00 0.73 0.00 0.00 38.32 39.44 3hr7 h ASN 152 CO 0.05 0.97 0.06 0.28 -1.29 0.00 0.00 177.43 177.50 3hr7 h SER 153 N 1.18 0.36 -0.41 1.15 0.02 -0.77 -2.64 113.55 112.45 3hr7 h SER 153 Ca 0.27 -0.22 0.08 0.00 -0.84 0.00 0.00 61.79 61.08 3hr7 h SER 153 Cb 0.20 -0.10 -0.08 0.00 0.14 0.00 0.00 62.40 62.56 3hr7 h SER 153 CO -0.03 0.49 -0.13 0.25 -1.14 0.00 0.00 176.83 176.28 3hr7 h LEU 154 N 0.22 -0.46 -0.91 5.07 5.85 -0.68 -1.96 115.31 122.43 3hr7 h LEU 154 Ca 0.08 0.13 0.10 0.00 0.84 0.00 0.00 57.88 59.02 3hr7 h LEU 154 Cb 0.27 0.28 -0.08 0.00 0.37 0.00 0.00 40.66 41.51 3hr7 h LEU 154 CO -0.00 -0.16 0.55 0.11 -0.34 0.00 0.00 178.44 178.60 3hr7 h LYS 155 N -0.04 0.90 -0.58 1.25 1.57 -1.13 -0.16 116.57 118.38 3hr7 h LYS 155 Ca 0.20 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.85 3hr7 h LYS 155 Cb 0.34 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3hr7 h LYS 155 CO -0.44 0.60 0.07 1.96 -0.57 0.00 0.00 179.45 181.07 3hr7 h GLN 156 N 0.93 0.98 -0.12 3.15 4.20 -1.03 -1.57 115.11 121.65 3hr7 h GLN 156 Ca 0.43 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 3hr7 h GLN 156 Cb 0.36 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 3hr7 h GLN 156 CO -0.24 0.94 -0.02 0.28 -0.67 0.00 0.00 178.83 179.13 3hr7 h VAL 157 N 0.88 1.28 -0.83 -0.54 2.07 -0.60 -1.93 116.25 116.58 3hr7 h VAL 157 Ca 0.17 -0.92 0.03 0.00 0.82 0.00 0.00 66.70 66.81 3hr7 h VAL 157 Cb 0.45 1.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.82 3hr7 h VAL 157 CO 0.02 0.26 0.53 -0.07 0.02 0.00 0.00 177.57 178.33 3hr7 h LEU 158 N -0.08 0.88 -0.62 2.57 3.38 -1.01 -2.19 115.31 118.24 3hr7 h LEU 158 Ca 0.03 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3hr7 h LEU 158 Cb 0.42 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3hr7 h LEU 158 CO 0.01 0.60 0.33 -0.61 0.09 0.00 0.00 178.44 178.86 3hr7 h GLN 159 N 1.03 0.87 -0.84 1.13 4.15 -1.19 -1.74 115.11 118.52 3hr7 h GLN 159 Ca 0.33 -0.11 -0.03 0.00 0.77 0.00 0.00 58.65 59.61 3hr7 h GLN 159 Cb 0.02 -0.17 -0.04 0.00 0.21 0.00 0.00 27.48 27.50 3hr7 h GLN 159 CO -0.12 0.67 0.40 0.74 -1.93 0.00 0.00 178.83 178.59 3hr7 h PHE 160 N 0.84 1.21 0.00 3.99 0.04 -0.76 -3.08 116.94 119.19 3hr7 h PHE 160 Ca 0.22 -0.06 -0.04 0.00 2.80 0.00 0.00 57.97 60.88 3hr7 h PHE 160 Cb 0.06 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 37.83 3hr7 h PHE 160 CO -0.01 0.87 -0.53 -0.84 -0.60 0.00 0.00 178.31 177.21 3hr7 h ILE 161 N 1.19 0.27 0.00 -0.55 3.07 -1.32 -3.52 117.51 116.65 3hr7 h ILE 161 Ca 0.29 -1.41 0.00 0.00 1.55 0.00 0.00 64.86 65.29 3hr7 h ILE 161 Cb 0.12 1.99 0.00 0.00 -0.27 0.00 0.00 36.82 38.66 3hr7 h ILE 161 CO -0.04 0.15 0.00 0.00 -1.05 0.00 0.00 178.15 177.22