#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 4.40 0.52 0.03 -1.52 -1.26 -4.09 119.66 117.74 3hr7 s GLN 2 Ca 0.00 0.96 -0.22 0.00 -1.95 0.00 0.00 55.36 54.15 3hr7 s GLN 2 Cb 0.00 -3.24 -0.06 0.00 -0.22 0.00 0.00 33.01 29.49 3hr7 s GLN 2 CO 0.00 0.60 1.23 0.72 -0.25 0.00 0.00 175.29 177.59 3hr7 n HIS 3 N 1.62 1.87 -3.52 0.91 8.25 -1.26 -4.67 115.22 118.42 3hr7 n HIS 3 Ca -0.08 0.46 -0.41 0.00 -0.26 0.00 0.00 57.72 57.43 3hr7 n HIS 3 Cb 0.50 -2.31 -0.10 0.00 1.12 0.00 0.00 29.99 29.19 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 -2.52 4.78 -0.26 2.41 1.43 -0.66 -0.90 118.68 122.95 3hr7 s LEU 4 Ca 0.69 -0.74 -0.05 0.00 -1.03 0.00 0.00 54.13 53.01 3hr7 s LEU 4 Cb -0.45 -2.12 -0.00 0.00 0.03 0.00 0.00 46.19 43.65 3hr7 s LEU 4 CO 0.51 -0.35 0.03 -0.69 0.23 0.00 0.00 176.35 176.08 3hr7 s VAL 5 N 1.67 3.72 -0.25 -1.59 1.01 0.39 -0.38 120.40 124.97 3hr7 s VAL 5 Ca 0.05 -0.59 -0.15 0.00 0.00 0.00 0.00 61.98 61.30 3hr7 s VAL 5 Cb -0.18 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 3hr7 s VAL 5 CO 0.09 0.24 0.36 -0.76 0.00 0.00 0.00 175.10 175.03 3hr7 s LEU 6 N 1.49 4.06 0.19 3.92 1.43 0.03 -0.36 118.68 129.45 3hr7 s LEU 6 Ca 0.04 0.31 0.11 0.00 -1.03 0.00 0.00 54.13 53.56 3hr7 s LEU 6 Cb -0.16 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.60 3hr7 s LEU 6 CO 0.00 -0.14 -0.24 0.27 0.23 0.00 0.00 176.35 176.47 3hr7 s ILE 7 N 1.85 2.34 -5.00 -0.59 -4.36 -0.25 -2.70 121.20 112.49 3hr7 s ILE 7 Ca 0.15 -2.03 0.00 0.00 -0.26 0.00 0.00 60.65 58.51 3hr7 s ILE 7 Cb -0.15 -2.12 0.00 0.00 1.25 0.00 0.00 42.46 41.44 3hr7 s ILE 7 CO 0.09 -0.12 0.00 0.61 0.24 0.00 0.00 174.94 175.76 3hr7 n GLY 8 N 0.27 -1.09 3.80 6.27 0.00 -1.26 -2.23 105.19 110.95 3hr7 n GLY 8 Ca -0.13 -1.49 -0.34 0.00 0.00 0.00 0.00 46.02 44.07 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 -2.21 3.07 0.28 1.61 0.08 -1.26 -4.25 117.98 115.30 3hr7 s PHE 9 Ca 0.00 1.58 -0.30 0.00 0.12 0.00 0.00 56.93 58.34 3hr7 s PHE 9 Cb 0.00 -3.01 -0.13 0.00 -0.57 0.00 0.00 43.02 39.31 3hr7 s PHE 9 CO 0.00 -0.65 1.33 -0.12 -0.10 0.00 0.00 175.22 175.67 3hr7 n MET 10 N -0.89 1.99 -0.87 0.44 0.00 -1.26 -1.98 117.12 114.55 3hr7 n MET 10 Ca 0.09 0.71 0.00 0.00 -0.00 0.00 0.00 57.70 58.49 3hr7 n MET 10 Cb 0.53 -2.31 0.00 0.00 0.00 0.00 0.00 33.22 31.44 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 1.59 0.73 0.10 -5.12 0.00 -1.26 -4.93 105.19 96.30 3hr7 n GLY 11 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.23 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 0.67 0.00 1.61 3.41 -0.84 -4.90 113.62 113.58 3hr7 n SER 12 Ca 0.00 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 3hr7 n SER 12 Cb 0.00 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.18 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 0.75 1.11 0.22 5.00 0.00 -1.26 -4.99 105.19 106.00 3hr7 n GLY 13 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 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 2.47 0.34 -0.29 1.61 1.57 -1.90 -1.03 116.57 119.34 3hr7 h LYS 14 Ca 0.00 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3hr7 h LYS 14 Cb 0.00 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3hr7 h LYS 14 CO 0.00 0.23 0.12 0.77 -0.57 0.00 0.00 179.45 180.00 3hr7 h SER 15 N 0.35 0.40 -0.23 0.86 0.02 -1.97 0.10 113.55 113.08 3hr7 h SER 15 Ca 0.27 -0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 3hr7 h SER 15 Cb 0.33 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 3hr7 h SER 15 CO -0.29 0.45 -0.03 0.28 -1.14 0.00 0.00 176.83 176.10 3hr7 h SER 16 N 0.32 0.43 -0.46 3.07 0.02 -1.95 -2.08 113.55 112.90 3hr7 h SER 16 Ca 0.10 -0.34 0.02 0.00 -0.84 0.00 0.00 61.79 60.73 3hr7 h SER 16 Cb 0.17 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 3hr7 h SER 16 CO -0.01 0.66 0.26 0.25 -1.14 0.00 0.00 176.83 176.86 3hr7 h LEU 17 N 0.18 0.42 -0.94 5.07 5.85 -1.14 -1.87 115.31 122.88 3hr7 h LEU 17 Ca 0.06 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.89 3hr7 h LEU 17 Cb 0.46 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.33 3hr7 h LEU 17 CO 0.02 0.30 0.57 0.00 -0.34 0.00 0.00 178.44 178.99 3hr7 h ALA 18 N 1.21 1.37 -0.39 1.25 0.00 -0.71 0.10 119.26 122.10 3hr7 h ALA 18 Ca 0.19 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 3hr7 h ALA 18 Cb 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3hr7 h ALA 18 CO -0.10 0.21 -0.10 0.37 0.00 0.00 0.00 179.25 179.63 3hr7 h GLN 19 N 0.94 0.75 -0.65 0.00 4.15 -1.00 -0.81 115.11 118.49 3hr7 h GLN 19 Ca 0.45 -0.29 -0.06 0.00 0.77 0.00 0.00 58.65 59.52 3hr7 h GLN 19 Cb 0.40 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.02 3hr7 h GLN 19 CO -0.25 0.90 0.17 0.93 -1.93 0.00 0.00 178.83 178.65 3hr7 h GLU 20 N 0.56 1.03 -0.40 1.69 4.39 -0.73 -1.10 114.58 120.01 3hr7 h GLU 20 Ca 0.10 -0.24 -0.03 0.00 0.34 0.00 0.00 59.36 59.53 3hr7 h GLU 20 Cb 0.62 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 3hr7 h GLU 20 CO 0.04 0.92 0.13 -0.07 -1.16 0.00 0.00 179.01 178.87 3hr7 h LEU 21 N 0.95 0.58 -0.44 1.33 3.38 -0.70 -0.90 115.31 119.52 3hr7 h LEU 21 Ca 0.21 -0.20 0.08 0.00 0.09 0.00 0.00 57.88 58.06 3hr7 h LEU 21 Cb 0.34 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.87 3hr7 h LEU 21 CO -0.00 0.63 0.03 1.23 0.09 0.00 0.00 178.44 180.41 3hr7 h GLY 22 N 0.51 0.47 0.93 0.83 0.00 -0.93 -0.40 103.07 104.48 3hr7 h GLY 22 Ca 0.13 0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.46 3hr7 h GLY 22 CO -0.01 -0.10 0.12 1.41 0.00 0.00 0.00 176.54 177.97 3hr7 h LEU 23 N 0.14 0.55 -0.77 3.11 3.38 -1.01 -0.87 115.31 119.84 3hr7 h LEU 23 Ca 0.22 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 3hr7 h LEU 23 Cb 0.31 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3hr7 h LEU 23 CO -0.34 0.60 -0.22 0.00 0.09 0.00 0.00 178.44 178.57 3hr7 h ALA 24 N 0.96 0.95 -0.03 1.53 0.00 -0.81 -3.08 119.26 118.79 3hr7 h ALA 24 Ca 0.12 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3hr7 h ALA 24 Cb 0.25 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3hr7 h ALA 24 CO -0.00 0.61 -0.04 1.28 0.00 0.00 0.00 179.25 181.09 3hr7 n LEU 25 N -4.12 2.73 -3.78 0.00 4.77 -0.19 -4.97 117.00 111.44 3hr7 n LEU 25 Ca 0.00 -0.92 -0.24 0.00 -0.03 0.00 0.00 56.01 54.83 3hr7 n LEU 25 Cb 0.42 -0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.53 3hr7 n LEU 25 CO 0.44 0.46 -0.06 0.29 -1.33 0.00 0.00 177.39 177.19 3hr7 n LYS 26 N 1.09 -4.80 -4.44 3.23 5.02 -0.44 -5.01 118.16 112.82 3hr7 n LYS 26 Ca 0.14 0.59 -0.24 0.00 -2.02 0.00 0.00 58.31 56.78 3hr7 n LYS 26 Cb 0.56 -5.15 -0.09 0.00 -0.02 0.00 0.00 35.03 30.33 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 -6.83 2.75 0.50 -0.35 1.43 -0.56 -5.04 118.68 110.57 3hr7 s LEU 27 Ca 0.13 -0.98 -0.18 0.00 -1.03 0.00 0.00 54.13 52.08 3hr7 s LEU 27 Cb -0.07 -1.22 -0.08 0.00 0.03 0.00 0.00 46.19 44.85 3hr7 s LEU 27 CO 0.83 -0.02 0.99 -1.61 0.23 0.00 0.00 176.35 176.77 3hr7 s GLU 28 N -3.57 3.96 -0.04 1.70 0.41 -1.26 -4.58 118.70 115.33 3hr7 s GLU 28 Ca 0.31 1.03 0.06 0.00 -0.41 0.00 0.00 54.97 55.97 3hr7 s GLU 28 Cb -0.04 -2.14 -0.01 0.00 -1.78 0.00 0.00 34.13 30.16 3hr7 s GLU 28 CO 0.16 -0.26 -0.23 0.08 -0.49 0.00 0.00 175.26 174.52 3hr7 s VAL 29 N -2.48 1.88 0.06 2.63 1.01 -1.26 -1.49 120.40 120.75 3hr7 s VAL 29 Ca 0.60 -0.99 0.05 0.00 0.00 0.00 0.00 61.98 61.64 3hr7 s VAL 29 Cb -0.10 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 3hr7 s VAL 29 CO 0.27 0.53 -0.13 -0.76 0.00 0.00 0.00 175.10 175.01 3hr7 s LEU 30 N -0.33 2.26 -0.14 3.92 1.43 0.10 -4.97 118.68 120.95 3hr7 s LEU 30 Ca 0.03 -0.58 0.02 0.00 -1.03 0.00 0.00 54.13 52.56 3hr7 s LEU 30 Cb -0.11 -0.46 0.01 0.00 0.03 0.00 0.00 46.19 45.67 3hr7 s LEU 30 CO 0.01 -0.09 -0.19 -0.62 0.23 0.00 0.00 176.35 175.70 3hr7 s ASP 31 N -1.64 2.85 0.18 2.29 2.15 -1.26 -0.51 116.67 120.72 3hr7 s ASP 31 Ca -0.03 -0.54 -0.07 0.00 0.43 0.00 0.00 52.55 52.34 3hr7 s ASP 31 Cb -0.10 -1.30 0.07 0.00 -0.30 0.00 0.00 42.92 41.29 3hr7 s ASP 31 CO 0.02 0.03 1.55 0.71 -0.17 0.00 0.00 175.17 177.31 3hr7 h THR 32 N 5.91 1.28 -0.63 1.71 1.35 -1.34 -1.11 112.91 120.08 3hr7 h THR 32 Ca -0.35 -1.48 -0.02 0.00 -0.55 0.00 0.00 66.41 64.01 3hr7 h THR 32 Cb 1.17 1.33 -0.03 0.00 -1.73 0.00 0.00 68.15 68.89 3hr7 h THR 32 CO 0.54 0.49 0.31 0.44 -0.25 0.00 0.00 175.52 177.05 3hr7 h ASP 33 N 0.70 0.81 -0.86 5.36 3.32 -1.92 -1.98 116.42 121.85 3hr7 h ASP 33 Ca 0.07 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 3hr7 h ASP 33 Cb 0.87 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.18 3hr7 h ASP 33 CO 0.08 0.71 0.50 0.24 -1.72 0.00 0.00 179.24 179.05 3hr7 h MET 34 N 0.86 1.18 0.01 3.56 2.86 -1.87 -0.53 114.93 121.00 3hr7 h MET 34 Ca 0.22 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3hr7 h MET 34 Cb 0.10 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.52 3hr7 h MET 34 CO -0.03 0.84 -0.01 0.82 1.06 0.00 0.00 176.91 179.60 3hr7 h ILE 35 N 1.19 1.00 -0.18 -1.22 2.04 -1.07 -0.74 117.51 118.53 3hr7 h ILE 35 Ca 0.31 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 66.14 3hr7 h ILE 35 Cb -0.02 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3hr7 h ILE 35 CO -0.05 0.01 0.12 0.40 0.00 0.00 0.00 178.15 178.62 3hr7 h ILE 36 N -0.03 1.05 -0.55 -0.67 2.04 -1.15 -1.35 117.51 116.85 3hr7 h ILE 36 Ca -0.00 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 3hr7 h ILE 36 Cb 0.02 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3hr7 h ILE 36 CO 0.00 0.05 0.26 -1.28 0.00 0.00 0.00 178.15 177.18 3hr7 h SER 37 N 0.24 0.72 -0.76 1.72 0.87 -1.02 -0.74 113.55 114.58 3hr7 h SER 37 Ca 0.06 -0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.46 3hr7 h SER 37 Cb -0.02 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.71 3hr7 h SER 37 CO -0.01 0.65 0.37 -0.08 -0.53 0.00 0.00 176.83 177.23 3hr7 h GLU 38 N 0.74 1.10 0.20 2.24 4.81 -0.99 0.51 114.58 123.19 3hr7 h GLU 38 Ca 0.19 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3hr7 h GLU 38 Cb 0.13 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.31 3hr7 h GLU 38 CO -0.02 0.85 -0.10 0.00 -0.73 0.00 0.00 179.01 179.01 3hr7 h ARG 39 N 1.08 -0.26 -0.05 1.92 3.08 -0.84 -3.30 114.38 116.00 3hr7 h ARG 39 Ca 0.26 0.02 -0.12 0.00 0.07 0.00 0.00 59.98 60.21 3hr7 h ARG 39 Cb 0.12 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3hr7 h ARG 39 CO -0.03 0.11 -0.54 0.28 -1.07 0.00 0.00 179.97 178.71 3hr7 h VAL 40 N -0.71 1.38 0.00 2.04 2.07 -1.09 -3.47 116.25 116.46 3hr7 h VAL 40 Ca -0.03 -1.85 0.00 0.00 0.82 0.00 0.00 66.70 65.65 3hr7 h VAL 40 Cb 0.49 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 3hr7 h VAL 40 CO 0.05 0.54 0.00 0.61 0.02 0.00 0.00 177.57 178.78 3hr7 n GLY 41 N 0.08 0.48 3.03 2.17 0.00 0.18 -5.05 105.19 106.07 3hr7 n GLY 41 Ca -0.02 -0.93 -0.17 0.00 0.00 0.00 0.00 46.02 44.91 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 2.09 0.96 0.99 1.43 -1.15 -5.05 118.68 117.96 3hr7 s LEU 42 Ca 0.00 -0.27 -0.11 0.00 -1.03 0.00 0.00 54.13 52.72 3hr7 s LEU 42 Cb 0.00 -0.36 0.17 0.00 0.03 0.00 0.00 46.19 46.04 3hr7 s LEU 42 CO 0.00 0.01 1.12 -0.94 0.23 0.00 0.00 176.35 176.78 3hr7 s SER 43 N -0.64 2.52 0.14 2.29 1.04 -1.26 -4.39 113.70 113.40 3hr7 s SER 43 Ca -0.00 2.06 -0.21 0.00 0.48 0.00 0.00 55.95 58.28 3hr7 s SER 43 Cb -0.05 -2.52 0.01 0.00 0.10 0.00 0.00 66.02 63.56 3hr7 s SER 43 CO 0.00 -3.33 1.67 0.58 0.98 0.00 0.00 173.24 173.13 3hr7 h VAL 44 N -2.03 0.59 -0.73 5.02 2.07 -1.96 0.52 116.25 119.74 3hr7 h VAL 44 Ca -0.47 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.19 3hr7 h VAL 44 Cb 1.28 0.59 -0.09 0.00 -1.52 0.00 0.00 31.29 31.55 3hr7 h VAL 44 CO 0.43 0.00 0.28 -0.09 0.02 0.00 0.00 177.57 178.21 3hr7 h ARG 45 N -0.14 0.41 -0.23 1.57 2.43 -2.00 -1.02 114.38 115.40 3hr7 h ARG 45 Ca 0.12 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.19 3hr7 h ARG 45 Cb 0.31 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3hr7 h ARG 45 CO -0.29 0.27 -0.20 0.93 -1.51 0.00 0.00 179.97 179.17 3hr7 h GLU 46 N 0.42 0.40 -0.30 0.20 5.08 -1.67 -1.74 114.58 116.96 3hr7 h GLU 46 Ca 0.40 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.57 3hr7 h GLU 46 Cb 0.60 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 3hr7 h GLU 46 CO -0.40 0.59 -0.03 0.82 -1.00 0.00 0.00 179.01 178.98 3hr7 h ILE 47 N 0.36 1.27 -0.64 3.13 2.04 0.33 0.32 117.51 124.32 3hr7 h ILE 47 Ca 0.06 -1.02 0.01 0.00 1.00 0.00 0.00 64.86 64.91 3hr7 h ILE 47 Cb 0.56 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 3hr7 h ILE 47 CO 0.04 0.33 0.42 -0.26 0.00 0.00 0.00 178.15 178.68 3hr7 h PHE 48 N 0.33 0.80 -0.35 1.37 0.04 -1.09 0.16 116.94 118.20 3hr7 h PHE 48 Ca 0.08 0.02 -0.16 0.00 2.80 0.00 0.00 57.97 60.71 3hr7 h PHE 48 Cb 0.49 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 3hr7 h PHE 48 CO 0.04 0.51 -0.40 0.93 -0.60 0.00 0.00 178.31 178.79 3hr7 h GLU 49 N 0.87 0.85 0.04 1.51 4.39 -1.21 -2.45 114.58 118.58 3hr7 h GLU 49 Ca 0.23 -0.45 -0.36 0.00 0.34 0.00 0.00 59.36 59.11 3hr7 h GLU 49 Cb -0.10 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.52 3hr7 h GLU 49 CO -0.05 1.10 -2.20 0.39 -1.16 0.00 0.00 179.01 177.09 3hr7 n GLU 50 N -4.05 0.69 -0.00 2.33 -0.58 0.09 -4.64 120.64 114.48 3hr7 n GLU 50 Ca -0.02 0.18 0.03 0.00 -0.42 0.00 0.00 57.16 56.93 3hr7 n GLU 50 Cb 0.55 -1.62 -0.04 0.00 -0.57 0.00 0.00 31.44 29.75 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 -3.21 0.20 0.00 -4.62 4.77 0.45 -5.07 117.00 109.51 3hr7 n LEU 51 Ca -0.35 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 3hr7 n LEU 51 Cb 1.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.14 3hr7 n LEU 51 CO 0.37 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 3hr7 n GLY 52 N 1.52 -0.59 0.21 -0.72 0.00 -0.45 -4.30 105.19 100.86 3hr7 n GLY 52 Ca 0.00 -1.68 -0.05 0.00 0.00 0.00 0.00 46.02 44.29 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 0.40 -0.75 1.61 9.09 -1.85 -2.27 114.58 120.81 3hr7 h GLU 53 Ca 0.00 -0.22 -0.03 0.00 0.05 0.00 0.00 59.36 59.16 3hr7 h GLU 53 Cb 0.00 0.01 -0.03 0.00 -1.65 0.00 0.00 28.75 27.08 3hr7 h GLU 53 CO 0.00 0.78 0.34 -0.44 0.05 0.00 0.00 179.01 179.74 3hr7 h ASP 54 N 0.33 1.01 -0.16 3.06 3.32 -1.98 0.37 116.42 122.37 3hr7 h ASP 54 Ca 0.02 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 56.89 3hr7 h ASP 54 Cb 0.93 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 3hr7 h ASP 54 CO 0.08 0.88 -0.02 0.78 -1.72 0.00 0.00 179.24 179.24 3hr7 h ASN 55 N 1.07 0.30 -0.49 6.45 2.35 -1.71 -0.90 115.58 122.65 3hr7 h ASN 55 Ca 0.26 -0.34 0.07 0.00 -0.55 0.00 0.00 56.30 55.74 3hr7 h ASN 55 Cb 0.16 -0.08 -0.06 0.00 0.05 0.00 0.00 38.32 38.39 3hr7 h ASN 55 CO -0.03 0.57 0.13 0.15 -1.65 0.00 0.00 177.43 176.60 3hr7 h PHE 56 N 0.03 0.22 0.00 1.19 3.57 -1.16 -0.94 116.94 119.86 3hr7 h PHE 56 Ca 0.04 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 3hr7 h PHE 56 Cb 0.42 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 3hr7 h PHE 56 CO 0.04 0.04 -0.37 0.00 -2.23 0.00 0.00 178.31 175.80 3hr7 h ARG 57 N 0.28 0.00 -0.39 1.11 2.47 -0.82 -0.79 114.38 116.24 3hr7 h ARG 57 Ca 0.24 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.91 3hr7 h ARG 57 Cb 0.29 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.59 3hr7 h ARG 57 CO -0.28 0.37 0.04 1.98 0.56 0.00 0.00 179.97 182.64 3hr7 h MET 58 N 0.00 0.66 -0.56 0.04 4.05 -0.41 0.20 114.93 118.91 3hr7 h MET 58 Ca -0.00 -0.19 -0.00 0.00 -0.28 0.00 0.00 59.70 59.22 3hr7 h MET 58 Cb 0.67 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.38 3hr7 h MET 58 CO 0.05 0.73 0.34 0.74 0.23 0.00 0.00 176.91 179.00 3hr7 h PHE 59 N 0.50 0.74 -0.31 1.39 0.04 -0.70 -1.60 116.94 117.01 3hr7 h PHE 59 Ca 0.12 -0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.86 3hr7 h PHE 59 Cb 0.40 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 3hr7 h PHE 59 CO 0.03 0.50 0.08 1.49 -0.60 0.00 0.00 178.31 179.82 3hr7 h GLU 60 N 0.75 0.49 -0.39 1.51 4.81 -0.97 -1.44 114.58 119.34 3hr7 h GLU 60 Ca 0.20 -0.11 0.06 0.00 -0.13 0.00 0.00 59.36 59.38 3hr7 h GLU 60 Cb -0.02 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.24 3hr7 h GLU 60 CO -0.04 0.55 0.08 -0.22 -0.73 0.00 0.00 179.01 178.65 3hr7 h LYS 61 N 0.34 0.20 -0.58 1.92 3.64 -0.45 -1.51 116.57 120.12 3hr7 h LYS 61 Ca 0.10 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3hr7 h LYS 61 Cb 0.27 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 3hr7 h LYS 61 CO -0.00 0.13 0.36 -0.91 -2.27 0.00 0.00 179.45 176.76 3hr7 h ASN 62 N 0.21 0.69 -0.72 4.20 2.35 -1.22 -2.43 115.58 118.65 3hr7 h ASN 62 Ca 0.19 -0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.85 3hr7 h ASN 62 Cb 0.22 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 3hr7 h ASN 62 CO -0.25 0.53 0.30 0.25 -1.65 0.00 0.00 177.43 176.61 3hr7 h LEU 63 N 0.78 1.01 -0.31 1.61 5.85 -0.90 -1.20 115.31 122.16 3hr7 h LEU 63 Ca 0.21 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 3hr7 h LEU 63 Cb -0.04 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 3hr7 h LEU 63 CO -0.04 0.89 0.16 0.40 -0.34 0.00 0.00 178.44 179.51 3hr7 h ILE 64 N 1.07 1.14 -0.86 4.05 2.04 -1.04 0.17 117.51 124.08 3hr7 h ILE 64 Ca 0.25 -0.37 0.09 0.00 1.00 0.00 0.00 64.86 65.83 3hr7 h ILE 64 Cb 0.20 0.83 -0.07 0.00 -0.74 0.00 0.00 36.82 37.04 3hr7 h ILE 64 CO -0.02 0.14 0.51 0.44 0.00 0.00 0.00 178.15 179.22 3hr7 h ASP 65 N 0.37 0.76 -0.33 1.72 3.32 -1.10 -1.48 116.42 119.68 3hr7 h ASP 65 Ca 0.11 0.04 -0.14 0.00 0.02 0.00 0.00 57.03 57.06 3hr7 h ASP 65 Cb 0.08 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3hr7 h ASP 65 CO -0.02 0.44 -0.31 -0.08 -1.72 0.00 0.00 179.24 177.56 3hr7 h GLU 66 N 0.87 0.85 0.00 3.56 4.81 -0.67 -3.10 114.58 120.90 3hr7 h GLU 66 Ca 0.41 -0.40 -0.11 0.00 -0.13 0.00 0.00 59.36 59.13 3hr7 h GLU 66 Cb 0.33 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 3hr7 h GLU 66 CO -0.23 1.04 -0.51 -0.07 -0.73 0.00 0.00 179.01 178.51 3hr7 h LEU 67 N 0.72 0.00 -2.46 1.64 3.38 -0.40 -2.75 115.31 115.44 3hr7 h LEU 67 Ca 0.08 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.06 3hr7 h LEU 67 Cb 0.86 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 3hr7 h LEU 67 CO 0.08 0.51 0.04 0.11 0.09 0.00 0.00 178.44 179.26 3hr7 h LYS 68 N 0.00 0.00 -0.00 1.13 1.57 -1.20 -1.62 116.57 116.46 3hr7 h LYS 68 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3hr7 h LYS 68 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 3hr7 h LYS 68 CO 0.07 0.00 -0.08 0.25 -0.57 0.00 0.00 179.45 179.12 3hr7 n THR 69 N -3.78 0.00 -2.56 -0.16 -2.24 -1.04 -4.65 114.28 99.85 3hr7 n THR 69 Ca -0.02 -0.02 -0.43 0.00 -2.27 0.00 0.00 64.05 61.31 3hr7 n THR 69 Cb 0.13 -0.31 -0.02 0.00 -2.10 0.00 0.00 70.33 68.03 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 -2.68 3.98 -0.00 3.22 1.43 -0.61 -4.93 118.68 119.09 3hr7 s LEU 70 Ca 0.24 1.23 -0.25 0.00 -1.03 0.00 0.00 54.13 54.31 3hr7 s LEU 70 Cb 0.20 -3.54 -0.19 0.00 0.03 0.00 0.00 46.19 42.68 3hr7 s LEU 70 CO 0.50 -0.88 1.33 0.07 0.23 0.00 0.00 176.35 177.61 3hr7 h LYS 71 N 8.27 -0.04 -6.41 1.70 5.09 -1.87 -3.45 116.57 119.86 3hr7 h LYS 71 Ca -0.22 0.00 -0.54 0.00 0.09 0.00 0.00 60.65 59.98 3hr7 h LYS 71 Cb 1.07 0.01 0.01 0.00 0.10 0.00 0.00 32.23 33.42 3hr7 h LYS 71 CO 1.02 0.36 0.84 0.99 -2.09 0.00 0.00 179.45 180.57 3hr7 s THR 72 N -4.58 3.54 0.31 0.07 2.01 -1.26 -4.84 115.64 110.89 3hr7 s THR 72 Ca -0.15 0.97 -0.29 0.00 0.31 0.00 0.00 61.69 62.53 3hr7 s THR 72 Cb 0.02 -3.63 -0.11 0.00 0.01 0.00 0.00 72.50 68.80 3hr7 s THR 72 CO 0.66 0.01 1.47 -2.16 -0.69 0.00 0.00 174.62 173.91 3hr7 s PRO 73 N 2.24 4.20 0.18 4.92 0.04 -1.26 -4.92 135.00 140.40 3hr7 s PRO 73 Ca 0.66 2.43 0.09 0.00 0.04 0.00 0.00 61.00 64.22 3hr7 s PRO 73 Cb -0.34 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.12 3hr7 s PRO 73 CO 0.28 -0.47 -0.20 -1.01 0.04 0.00 0.00 177.00 175.64 3hr7 s HIS 74 N -0.48 1.95 -0.02 0.56 3.76 -1.26 -4.57 115.29 115.22 3hr7 s HIS 74 Ca 0.57 -0.44 -0.22 0.00 -0.15 0.00 0.00 55.06 54.82 3hr7 s HIS 74 Cb -0.44 -0.96 -0.05 0.00 1.11 0.00 0.00 32.58 32.24 3hr7 s HIS 74 CO 0.51 0.39 0.64 0.08 -0.85 0.00 0.00 174.74 175.51 3hr7 s VAL 75 N -2.01 4.94 -0.16 -0.90 1.01 -0.55 -1.66 120.40 121.07 3hr7 s VAL 75 Ca 0.18 1.34 -0.01 0.00 0.00 0.00 0.00 61.98 63.48 3hr7 s VAL 75 Cb -0.06 -3.98 0.04 0.00 0.00 0.00 0.00 36.38 32.38 3hr7 s VAL 75 CO 0.08 0.36 -0.02 -0.63 0.00 0.00 0.00 175.10 174.89 3hr7 s ILE 76 N 0.16 0.81 0.18 2.22 1.01 0.49 -0.72 121.20 125.34 3hr7 s ILE 76 Ca 0.34 -0.47 -0.09 0.00 0.00 0.00 0.00 60.65 60.42 3hr7 s ILE 76 Cb -0.18 -1.08 -0.07 0.00 0.01 0.00 0.00 42.46 41.15 3hr7 s ILE 76 CO 0.18 0.05 0.48 -0.94 0.00 0.00 0.00 174.94 174.71 3hr7 s SER 77 N 1.76 6.61 0.14 3.58 1.04 0.33 -0.79 113.70 126.36 3hr7 s SER 77 Ca 0.01 0.82 0.04 0.00 0.48 0.00 0.00 55.95 57.30 3hr7 s SER 77 Cb -0.15 -2.19 -0.04 0.00 0.10 0.00 0.00 66.02 63.74 3hr7 s SER 77 CO -0.07 0.01 -0.10 0.42 0.98 0.00 0.00 173.24 174.48 3hr7 s THR 78 N -1.69 1.09 0.57 2.02 -4.23 -1.10 -0.82 115.64 111.49 3hr7 s THR 78 Ca 0.43 -2.03 -0.07 0.00 -1.18 0.00 0.00 61.69 58.84 3hr7 s THR 78 Cb -0.12 -1.81 -0.01 0.00 1.34 0.00 0.00 72.50 71.90 3hr7 s THR 78 CO 0.22 -0.76 0.90 -0.83 -0.54 0.00 0.00 174.62 173.61 3hr7 s GLY 79 N -3.12 1.58 0.54 3.99 0.00 -1.26 -4.78 107.32 104.27 3hr7 s GLY 79 Ca 0.16 -0.54 -0.21 0.00 0.00 0.00 0.00 44.72 44.13 3hr7 s GLY 79 CO -0.00 -0.28 1.24 -0.32 0.00 0.00 0.00 173.10 173.73 3hr7 s GLY 80 N -4.24 2.80 0.00 0.20 0.00 -1.26 -2.26 107.32 102.56 3hr7 s GLY 80 Ca 0.53 1.09 0.00 0.00 0.00 0.00 0.00 44.72 46.34 3hr7 s GLY 80 CO 0.47 1.54 0.00 0.61 0.00 0.00 0.00 173.10 175.72 3hr7 n GLY 81 N 0.56 3.06 0.33 0.20 0.00 -1.26 -4.88 105.19 103.20 3hr7 n GLY 81 Ca 0.11 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 0.40 0.00 -0.61 2.10 -1.84 -1.77 117.51 115.78 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 0.00 0.86 0.00 0.00 -1.09 0.00 0.00 36.82 36.59 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 -3.68 0.86 0.31 2.19 0.24 -1.26 -2.16 118.33 114.82 3hr7 n VAL 83 Ca 0.00 0.21 0.20 0.00 -2.04 0.00 0.00 64.34 62.72 3hr7 n VAL 83 Cb 0.27 -0.95 1.03 0.00 -1.47 0.00 0.00 33.84 32.73 3hr7 n VAL 83 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hr7 h MET 84 N 0.00 0.00 -6.18 7.34 -0.00 -1.72 -3.44 114.93 110.94 3hr7 h MET 84 Ca 0.00 0.00 -0.56 0.00 -0.00 0.00 0.00 59.70 59.14 3hr7 h MET 84 Cb 0.30 0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 31.85 3hr7 h MET 84 CO 0.00 0.00 0.49 -1.01 -0.00 0.00 0.00 176.91 176.39 3hr7 s HIS 85 N -3.97 3.50 0.46 -0.10 4.02 -0.92 -4.95 115.29 113.33 3hr7 s HIS 85 Ca -0.03 1.50 0.14 0.00 1.02 0.00 0.00 55.06 57.69 3hr7 s HIS 85 Cb 0.11 -3.12 1.08 0.00 -1.02 0.00 0.00 32.58 29.63 3hr7 s HIS 85 CO 0.41 -0.20 2.03 1.49 1.02 0.00 0.00 174.74 179.48 3hr7 h GLU 86 N 7.12 0.31 0.00 1.40 4.81 -1.91 -2.00 114.58 124.31 3hr7 h GLU 86 Ca -0.31 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 3hr7 h GLU 86 Cb 1.15 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.46 3hr7 h GLU 86 CO 0.84 0.20 0.00 0.27 -0.73 0.00 0.00 179.01 179.60 3hr7 n ASN 87 N -4.47 0.00 0.03 1.04 2.04 -1.26 -4.28 115.26 108.35 3hr7 n ASN 87 Ca 0.06 -0.07 -0.12 0.00 -0.44 0.00 0.00 54.58 54.01 3hr7 n ASN 87 Cb 0.29 -0.29 -0.08 0.00 -2.53 0.00 0.00 39.78 37.17 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 0.00 0.01 -1.46 -4.53 7.12 -1.68 -3.24 115.31 111.52 3hr7 h LEU 88 Ca 0.00 -0.11 0.04 0.00 0.13 0.00 0.00 57.88 57.94 3hr7 h LEU 88 Cb 0.25 -0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.34 3hr7 h LEU 88 CO 0.00 0.11 0.40 0.11 -0.13 0.00 0.00 178.44 178.93 3hr7 h LYS 89 N -0.10 0.67 0.00 1.25 1.57 -1.80 -0.68 116.57 117.49 3hr7 h LYS 89 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3hr7 h LYS 89 Cb 0.11 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3hr7 h LYS 89 CO -0.00 0.44 0.00 0.41 -0.57 0.00 0.00 179.45 179.73 3hr7 n GLY 90 N -1.46 -0.77 0.15 3.86 0.00 -1.22 -3.35 105.19 102.39 3hr7 n GLY 90 Ca 0.07 -0.13 0.02 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 0.00 0.99 5.85 -1.22 -3.49 115.31 117.45 3hr7 h LEU 91 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hr7 h LEU 91 Cb 0.05 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3hr7 h LEU 91 CO 0.00 0.55 0.00 0.61 -0.34 0.00 0.00 178.44 179.26 3hr7 n GLY 92 N 0.69 -0.55 3.66 3.75 0.00 -1.21 -4.29 105.19 107.23 3hr7 n GLY 92 Ca 0.00 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 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 4.88 -0.12 2.61 2.01 -0.08 -4.89 115.64 116.45 3hr7 s THR 93 Ca 0.00 1.59 -0.07 0.00 0.31 0.00 0.00 61.69 63.51 3hr7 s THR 93 Cb 0.00 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 3hr7 s THR 93 CO 0.00 0.00 0.15 0.42 -0.69 0.00 0.00 174.62 174.50 3hr7 s THR 94 N 2.34 5.48 -0.19 -0.82 -4.23 -1.26 -0.46 115.64 116.50 3hr7 s THR 94 Ca 0.37 0.24 0.01 0.00 -1.18 0.00 0.00 61.69 61.13 3hr7 s THR 94 Cb -0.16 -3.42 0.04 0.00 1.34 0.00 0.00 72.50 70.30 3hr7 s THR 94 CO 0.11 0.61 -0.11 -0.36 -0.54 0.00 0.00 174.62 174.33 3hr7 s PHE 95 N -0.99 2.36 -0.29 3.99 0.08 0.52 -1.66 117.98 121.99 3hr7 s PHE 95 Ca 0.15 -1.53 -0.22 0.00 0.12 0.00 0.00 56.93 55.45 3hr7 s PHE 95 Cb -0.12 -1.62 -0.01 0.00 -0.57 0.00 0.00 43.02 40.70 3hr7 s PHE 95 CO 0.04 -0.73 0.73 -0.47 -0.10 0.00 0.00 175.22 174.70 3hr7 s TYR 96 N 1.41 3.23 -0.91 0.36 5.04 0.08 -1.09 117.35 125.48 3hr7 s TYR 96 Ca -0.00 0.81 -0.21 0.00 -2.44 0.00 0.00 57.07 55.23 3hr7 s TYR 96 Cb -0.16 -3.08 0.09 0.00 0.35 0.00 0.00 41.96 39.17 3hr7 s TYR 96 CO -0.08 -0.48 1.20 -1.17 -1.34 0.00 0.00 175.55 173.68 3hr7 s LEU 97 N 2.79 4.43 0.03 6.97 2.96 -0.95 0.59 118.68 135.50 3hr7 s LEU 97 Ca 0.30 -1.65 -0.30 0.00 -0.22 0.00 0.00 54.13 52.26 3hr7 s LEU 97 Cb -0.15 -2.46 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 3hr7 s LEU 97 CO 0.11 -1.28 1.01 -0.75 -1.32 0.00 0.00 176.35 174.12 3hr7 s LYS 98 N 3.68 4.56 0.11 1.98 2.20 0.25 -4.67 119.74 127.85 3hr7 s LYS 98 Ca 0.35 1.49 0.05 0.00 -0.36 0.00 0.00 55.97 57.50 3hr7 s LYS 98 Cb -0.05 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.81 3hr7 s LYS 98 CO -0.06 -0.03 -0.12 -1.64 -0.36 0.00 0.00 175.35 173.13 3hr7 s MET 99 N 0.80 0.95 0.53 4.03 -1.94 -1.26 -1.05 119.30 121.36 3hr7 s MET 99 Ca 0.52 -1.21 0.02 0.00 -1.71 0.00 0.00 55.69 53.31 3hr7 s MET 99 Cb -0.23 -0.76 0.03 0.00 2.01 0.00 0.00 34.83 35.88 3hr7 s MET 99 CO 0.29 0.14 0.74 0.16 -0.01 0.00 0.00 175.02 176.34 3hr7 s ASP 100 N -2.45 5.38 0.16 3.03 1.47 -1.26 -4.97 116.67 118.04 3hr7 s ASP 100 Ca 0.07 -0.01 -0.15 0.00 1.18 0.00 0.00 52.55 53.65 3hr7 s ASP 100 Cb -0.04 -0.94 0.07 0.00 -0.34 0.00 0.00 42.92 41.67 3hr7 s ASP 100 CO 0.02 -1.05 1.80 0.15 0.68 0.00 0.00 175.17 176.77 3hr7 h PHE 101 N 0.17 0.47 -0.92 2.11 3.57 -1.99 -2.30 116.94 118.03 3hr7 h PHE 101 Ca -0.42 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.09 3hr7 h PHE 101 Cb 1.29 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.84 3hr7 h PHE 101 CO 0.38 0.26 0.56 0.93 -2.23 0.00 0.00 178.31 178.21 3hr7 h GLU 102 N 0.50 1.25 -0.21 1.11 3.07 -1.99 -0.87 114.58 117.44 3hr7 h GLU 102 Ca 0.18 -0.11 -0.02 0.00 -0.50 0.00 0.00 59.36 58.91 3hr7 h GLU 102 Cb 0.04 -0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 27.67 3hr7 h GLU 102 CO -0.10 0.87 0.06 1.15 -1.40 0.00 0.00 179.01 179.60 3hr7 h THR 103 N 1.27 1.20 -0.19 1.13 2.02 -1.89 -1.16 112.91 115.29 3hr7 h THR 103 Ca 0.33 -0.62 0.05 0.00 0.77 0.00 0.00 66.41 66.94 3hr7 h THR 103 Cb -0.06 1.20 -0.06 0.00 -1.74 0.00 0.00 68.15 67.49 3hr7 h THR 103 CO -0.06 0.20 -0.24 0.25 0.37 0.00 0.00 175.52 176.04 3hr7 h LEU 104 N 0.17 -0.74 -0.40 2.58 6.46 -0.90 -0.40 115.31 122.08 3hr7 h LEU 104 Ca 0.07 0.13 0.01 0.00 -0.12 0.00 0.00 57.88 57.97 3hr7 h LEU 104 Cb 0.25 0.34 -0.02 0.00 -0.73 0.00 0.00 40.66 40.49 3hr7 h LEU 104 CO -0.00 -0.28 0.25 0.40 -0.62 0.00 0.00 178.44 178.19 3hr7 h ILE 105 N -0.27 1.08 -0.43 4.05 1.08 -1.10 -0.69 117.51 121.23 3hr7 h ILE 105 Ca 0.12 -0.18 0.07 0.00 -0.39 0.00 0.00 64.86 64.48 3hr7 h ILE 105 Cb 0.45 0.52 -0.06 0.00 -3.07 0.00 0.00 36.82 34.66 3hr7 h ILE 105 CO -0.34 0.09 0.10 0.50 -0.69 0.00 0.00 178.15 177.80 3hr7 h LYS 106 N 0.51 0.23 0.00 2.37 3.64 -0.59 -1.10 116.57 121.63 3hr7 h LYS 106 Ca 0.15 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 3hr7 h LYS 106 Cb -0.04 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 3hr7 h LYS 106 CO -0.05 0.15 -0.25 0.00 -2.27 0.00 0.00 179.45 177.03 3hr7 h ARG 107 N 0.23 0.00 -0.17 1.90 3.08 -0.55 -3.02 114.38 115.86 3hr7 h ARG 107 Ca 0.21 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.05 3hr7 h ARG 107 Cb 0.25 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.31 3hr7 h ARG 107 CO -0.27 0.25 -0.72 -0.07 -1.07 0.00 0.00 179.97 178.09 3hr7 h LEU 108 N 0.00 0.87 -0.99 3.04 3.38 0.11 -3.32 115.31 118.40 3hr7 h LEU 108 Ca -0.00 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.42 3hr7 h LEU 108 Cb 0.49 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3hr7 h LEU 108 CO 0.03 1.33 0.00 0.59 0.09 0.00 0.00 178.44 180.49 3hr7 n ASN 109 N -3.93 0.76 -2.55 -0.43 4.13 -0.84 -5.11 115.26 107.28 3hr7 n ASN 109 Ca -0.06 -1.53 -0.35 0.00 1.68 0.00 0.00 54.58 54.32 3hr7 n ASN 109 Cb 0.72 -0.38 0.04 0.00 -1.54 0.00 0.00 39.78 38.62 3hr7 n ASN 109 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hr7 n GLN 110 N 0.11 2.93 0.00 3.52 6.02 -1.25 -5.12 117.38 123.59 3hr7 n GLN 110 Ca 0.00 -3.67 0.00 0.00 -0.01 0.00 0.00 57.00 53.32 3hr7 n GLN 110 Cb 0.19 -2.27 0.00 0.00 1.02 0.00 0.00 30.24 29.17 3hr7 n GLN 110 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3hr7 n LEU 118 N -0.68 0.00 0.01 1.08 4.77 -1.26 -5.21 117.00 115.71 3hr7 n LEU 118 Ca 0.54 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.64 3hr7 n LEU 118 Cb 0.52 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.87 3hr7 n LEU 118 CO 0.56 0.00 0.46 0.18 -1.33 0.00 0.00 177.39 177.26 3hr7 n LEU 119 N -0.08 0.50 -4.78 2.23 4.77 -1.26 -4.90 117.00 113.48 3hr7 n LEU 119 Ca 0.00 0.05 -0.37 0.00 -0.03 0.00 0.00 56.01 55.66 3hr7 n LEU 119 Cb 0.00 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 40.80 3hr7 n LEU 119 CO 0.00 0.09 0.76 0.20 -1.33 0.00 0.00 177.39 177.11 3hr7 s ASN 120 N -3.18 6.79 -0.55 -1.43 0.01 -1.26 -5.01 114.94 110.32 3hr7 s ASN 120 Ca 0.10 2.11 -0.19 0.00 -0.71 0.00 0.00 52.86 54.17 3hr7 s ASN 120 Cb 0.17 -2.60 0.08 0.00 0.41 0.00 0.00 41.25 39.31 3hr7 s ASN 120 CO 0.70 -0.47 0.68 0.21 -1.51 0.00 0.00 177.10 176.71 3hr7 s ASN 121 N -1.41 6.21 0.00 -1.22 3.84 -1.26 -4.90 114.94 116.19 3hr7 s ASN 121 Ca 0.56 -1.13 0.20 0.00 0.21 0.00 0.00 52.86 52.70 3hr7 s ASN 121 Cb -0.25 -2.31 0.64 0.00 -0.55 0.00 0.00 41.25 38.79 3hr7 s ASN 121 CO 0.31 -1.03 1.49 0.18 -2.79 0.00 0.00 177.10 175.26 3hr7 n LEU 122 N 6.35 2.00 -0.13 3.21 4.77 -1.26 -4.33 117.00 127.62 3hr7 n LEU 122 Ca -0.07 -0.87 -0.04 0.00 -0.03 0.00 0.00 56.01 55.00 3hr7 n LEU 122 Cb 0.44 -0.15 0.04 0.00 -2.33 0.00 0.00 43.42 41.42 3hr7 n LEU 122 CO 0.57 0.43 0.87 0.74 -1.33 0.00 0.00 177.39 178.67 3hr7 h THR 123 N 2.58 0.72 -0.16 -5.08 2.02 -1.99 0.17 112.91 111.16 3hr7 h THR 123 Ca 0.00 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 3hr7 h THR 123 Cb 0.57 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 3hr7 h THR 123 CO 0.00 0.03 0.07 -0.61 0.37 0.00 0.00 175.52 175.37 3hr7 h GLN 124 N 0.15 0.24 -0.89 6.66 4.15 -2.01 -1.81 115.11 121.59 3hr7 h GLN 124 Ca 0.21 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.59 3hr7 h GLN 124 Cb 0.29 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.89 3hr7 h GLN 124 CO -0.32 0.32 0.59 0.00 -1.93 0.00 0.00 178.83 177.49 3hr7 h ALA 125 N 0.91 1.36 -0.15 3.38 0.00 -1.69 -2.24 119.26 120.82 3hr7 h ALA 125 Ca 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3hr7 h ALA 125 Cb 0.17 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3hr7 h ALA 125 CO -0.00 0.59 0.07 -0.22 0.00 0.00 0.00 179.25 179.69 3hr7 h LYS 126 N 1.21 0.21 -0.47 0.00 3.64 -0.50 0.42 116.57 121.09 3hr7 h LYS 126 Ca 0.33 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.73 3hr7 h LYS 126 Cb -0.14 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.60 3hr7 h LYS 126 CO -0.07 0.28 0.17 1.49 -2.27 0.00 0.00 179.45 179.05 3hr7 h GLU 127 N 0.10 0.33 -0.39 1.90 4.81 -1.06 -0.23 114.58 120.04 3hr7 h GLU 127 Ca 0.05 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.13 3hr7 h GLU 127 Cb 0.14 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3hr7 h GLU 127 CO -0.01 0.22 -0.26 -0.07 -0.73 0.00 0.00 179.01 178.16 3hr7 h LEU 128 N 0.34 0.84 -0.38 1.64 3.38 -1.28 -2.79 115.31 117.06 3hr7 h LEU 128 Ca 0.22 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.88 3hr7 h LEU 128 Cb 0.22 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3hr7 h LEU 128 CO -0.22 1.05 0.24 0.15 0.09 0.00 0.00 178.44 179.75 3hr7 h PHE 129 N 0.70 0.46 -0.92 1.13 3.57 -0.47 -0.78 116.94 120.62 3hr7 h PHE 129 Ca 0.09 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.61 3hr7 h PHE 129 Cb 0.80 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.34 3hr7 h PHE 129 CO 0.04 0.28 0.60 0.93 -2.23 0.00 0.00 178.31 177.94 3hr7 h GLU 130 N 0.49 1.21 -0.62 1.11 4.39 -0.97 -0.67 114.58 119.53 3hr7 h GLU 130 Ca 0.15 -0.08 -0.05 0.00 0.34 0.00 0.00 59.36 59.72 3hr7 h GLU 130 Cb -0.03 -0.27 -0.03 0.00 -0.10 0.00 0.00 28.75 28.32 3hr7 h GLU 130 CO -0.05 0.81 0.20 0.87 -1.16 0.00 0.00 179.01 179.68 3hr7 h LYS 131 N 1.25 0.96 -0.44 2.33 1.57 -1.27 -2.95 116.57 118.01 3hr7 h LYS 131 Ca 0.34 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3hr7 h LYS 131 Cb -0.14 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.01 3hr7 h LYS 131 CO -0.07 0.85 0.29 0.00 -0.57 0.00 0.00 179.45 179.95 3hr7 h ARG 132 N 0.89 0.58 -0.92 3.15 3.08 -0.13 -2.82 114.38 118.21 3hr7 h ARG 132 Ca 0.20 -0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.32 3hr7 h ARG 132 Cb 0.28 -0.13 -0.07 0.00 0.08 0.00 0.00 29.97 30.13 3hr7 h ARG 132 CO -0.01 0.39 0.59 1.96 -1.07 0.00 0.00 179.97 181.83 3hr7 h GLN 133 N 0.60 0.86 -0.17 0.04 4.20 -0.98 -2.01 115.11 117.65 3hr7 h GLN 133 Ca 0.16 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.78 3hr7 h GLN 133 Cb -0.07 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.51 3hr7 h GLN 133 CO -0.03 0.57 -0.09 0.00 -0.67 0.00 0.00 178.83 178.60 3hr7 h ALA 134 N 1.56 1.54 -0.67 3.87 0.00 -1.58 -0.55 119.26 123.42 3hr7 h ALA 134 Ca 0.43 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3hr7 h ALA 134 Cb 0.46 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3hr7 h ALA 134 CO -0.20 0.33 0.27 1.25 0.00 0.00 0.00 179.25 180.90 3hr7 h LEU 135 N 0.25 0.92 -0.43 0.00 5.85 -1.47 -0.62 115.31 119.82 3hr7 h LEU 135 Ca 0.05 -0.17 -0.13 0.00 0.84 0.00 0.00 57.88 58.47 3hr7 h LEU 135 Cb 0.33 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3hr7 h LEU 135 CO 0.02 0.84 -0.25 1.88 -0.34 0.00 0.00 178.44 180.59 3hr7 h TYR 136 N 0.94 1.07 -0.50 1.25 -1.99 -1.20 -2.93 116.97 113.62 3hr7 h TYR 136 Ca 0.22 -0.28 -0.03 0.00 2.00 0.00 0.00 58.73 60.65 3hr7 h TYR 136 Cb 0.21 -0.24 -0.02 0.00 2.00 0.00 0.00 36.73 38.67 3hr7 h TYR 136 CO 0.01 1.09 0.21 0.93 -0.00 0.00 0.00 178.16 180.40 3hr7 h GLU 137 N 0.75 0.74 -0.66 4.88 5.08 -0.99 -1.56 114.58 122.82 3hr7 h GLU 137 Ca 0.09 -0.13 0.14 0.00 -1.00 0.00 0.00 59.36 58.46 3hr7 h GLU 137 Cb 0.82 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 3hr7 h GLU 137 CO 0.07 0.64 0.45 -0.22 -1.00 0.00 0.00 179.01 178.95 3hr7 h LYS 138 N 0.66 0.31 -0.72 2.33 3.64 -1.11 -2.37 116.57 119.31 3hr7 h LYS 138 Ca 0.17 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3hr7 h LYS 138 Cb 0.17 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3hr7 h LYS 138 CO -0.02 0.20 0.00 0.09 -2.27 0.00 0.00 179.45 177.46 3hr7 n ASN 139 N -4.45 4.27 -4.44 4.20 4.13 -0.64 -4.95 115.26 113.38 3hr7 n ASN 139 Ca 0.12 -2.15 -0.35 0.00 1.68 0.00 0.00 54.58 53.88 3hr7 n ASN 139 Cb 0.50 -0.53 -0.13 0.00 -1.54 0.00 0.00 39.78 38.09 3hr7 n ASN 139 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hr7 s ALA 140 N -1.28 3.04 0.16 5.41 0.00 -0.89 -4.77 121.76 123.43 3hr7 s ALA 140 Ca 0.51 -1.02 -0.16 0.00 0.00 0.00 0.00 51.96 51.29 3hr7 s ALA 140 Cb 0.28 -1.81 0.02 0.00 0.00 0.00 0.00 23.12 21.61 3hr7 s ALA 140 CO 0.31 -0.22 1.82 0.77 0.00 0.00 0.00 175.76 178.44 3hr7 h SER 141 N 7.64 0.48 -4.33 0.00 0.02 -1.69 -3.45 113.55 112.22 3hr7 h SER 141 Ca -0.37 -0.01 -0.28 0.00 -0.84 0.00 0.00 61.79 60.29 3hr7 h SER 141 Cb 1.18 -0.12 -0.25 0.00 0.14 0.00 0.00 62.40 63.35 3hr7 h SER 141 CO 0.61 0.35 -0.74 -0.36 -1.14 0.00 0.00 176.83 175.55 3hr7 s PHE 142 N -6.16 0.49 -0.25 3.45 0.08 -0.66 -5.01 117.98 109.92 3hr7 s PHE 142 Ca -0.13 -0.29 -0.10 0.00 0.12 0.00 0.00 56.93 56.54 3hr7 s PHE 142 Cb 0.11 -0.31 -0.04 0.00 -0.57 0.00 0.00 43.02 42.21 3hr7 s PHE 142 CO 0.73 -0.05 0.14 0.42 -0.10 0.00 0.00 175.22 176.35 3hr7 s ILE 143 N -0.74 5.05 -0.19 0.64 1.01 -1.26 -0.75 121.20 124.96 3hr7 s ILE 143 Ca -0.05 0.08 -0.11 0.00 0.00 0.00 0.00 60.65 60.57 3hr7 s ILE 143 Cb -0.06 -3.37 -0.05 0.00 0.01 0.00 0.00 42.46 39.00 3hr7 s ILE 143 CO -0.00 0.32 0.17 -0.63 0.00 0.00 0.00 174.94 174.80 3hr7 s ILE 144 N 1.36 5.38 -0.69 2.92 1.01 0.20 -4.94 121.20 126.45 3hr7 s ILE 144 Ca 0.07 0.27 -0.26 0.00 0.00 0.00 0.00 60.65 60.72 3hr7 s ILE 144 Cb -0.15 -3.51 -0.01 0.00 0.01 0.00 0.00 42.46 38.80 3hr7 s ILE 144 CO 0.06 0.42 1.76 -0.62 0.00 0.00 0.00 174.94 176.56 3hr7 s ASP 145 N 0.44 5.45 -0.07 3.58 -1.08 -1.26 -0.58 116.67 123.15 3hr7 s ASP 145 Ca 0.10 0.01 0.11 0.00 -0.52 0.00 0.00 52.55 52.25 3hr7 s ASP 145 Cb -0.12 -2.54 0.44 0.00 -1.46 0.00 0.00 42.92 39.25 3hr7 s ASP 145 CO -0.00 -2.30 1.30 0.00 0.52 0.00 0.00 175.17 174.68 3hr7 n ALA 146 N 12.19 2.86 0.07 3.66 0.00 -0.22 -3.95 120.51 135.12 3hr7 n ALA 146 Ca 0.20 -0.96 -0.04 0.00 0.00 0.00 0.00 53.44 52.64 3hr7 n ALA 146 Cb 0.51 -1.02 -0.08 0.00 0.00 0.00 0.00 19.45 18.86 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 2.53 0.00 -0.78 0.00 3.08 -1.86 -3.42 114.38 113.92 3hr7 h ARG 147 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3hr7 h ARG 147 Cb 0.97 0.00 -0.37 0.00 0.08 0.00 0.00 29.97 30.65 3hr7 h ARG 147 CO 0.14 0.71 -0.34 0.41 -1.07 0.00 0.00 179.97 179.82 3hr7 n GLY 148 N 1.35 6.18 0.00 0.04 0.00 -1.25 -5.06 105.19 106.44 3hr7 n GLY 148 Ca -0.03 -2.48 0.00 0.00 0.00 0.00 0.00 46.02 43.51 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 -0.79 2.40 0.31 -0.02 0.00 -1.26 -4.60 105.19 101.22 3hr7 n GLY 149 Ca 0.48 -1.59 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.84 -1.22 0.99 5.85 -1.97 -1.01 115.31 117.10 3hr7 h LEU 150 Ca 0.00 0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.88 3hr7 h LEU 150 Cb 0.00 0.34 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 3hr7 h LEU 150 CO 0.00 -0.35 0.54 -1.13 -0.34 0.00 0.00 178.44 177.16 3hr7 h ASN 151 N -0.43 0.86 -0.56 1.25 -1.24 -1.99 0.11 115.58 113.57 3hr7 h ASN 151 Ca 0.06 -0.01 -0.10 0.00 0.71 0.00 0.00 56.30 56.96 3hr7 h ASN 151 Cb 0.52 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.35 3hr7 h ASN 151 CO -0.24 0.58 -0.05 -1.13 -1.29 0.00 0.00 177.43 175.30 3hr7 h ASN 152 N 0.99 1.02 -0.26 1.15 -1.24 -1.73 -1.03 115.58 114.48 3hr7 h ASN 152 Ca 0.34 -0.33 -0.02 0.00 0.71 0.00 0.00 56.30 57.00 3hr7 h ASN 152 Cb 0.09 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.86 3hr7 h ASN 152 CO -0.11 1.10 0.10 0.28 -1.29 0.00 0.00 177.43 177.51 3hr7 h SER 153 N 0.91 0.36 -0.50 1.15 0.02 0.00 -2.30 113.55 113.20 3hr7 h SER 153 Ca 0.15 -0.18 0.08 0.00 -0.84 0.00 0.00 61.79 61.01 3hr7 h SER 153 Cb 0.61 -0.09 -0.07 0.00 0.14 0.00 0.00 62.40 62.99 3hr7 h SER 153 CO 0.04 0.44 0.11 0.25 -1.14 0.00 0.00 176.83 176.53 3hr7 h LEU 154 N 0.26 0.03 -0.47 5.07 7.12 -0.92 -1.87 115.31 124.53 3hr7 h LEU 154 Ca 0.09 0.08 0.06 0.00 0.13 0.00 0.00 57.88 58.24 3hr7 h LEU 154 Cb 0.20 0.11 -0.05 0.00 -0.53 0.00 0.00 40.66 40.38 3hr7 h LEU 154 CO -0.01 0.04 0.17 0.50 -0.13 0.00 0.00 178.44 179.02 3hr7 h LYS 155 N 0.25 0.34 -0.29 1.25 3.64 -1.07 0.26 116.57 120.95 3hr7 h LYS 155 Ca 0.25 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.62 3hr7 h LYS 155 Cb 0.32 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 3hr7 h LYS 155 CO -0.31 0.23 0.17 1.96 -2.27 0.00 0.00 179.45 179.22 3hr7 h GLN 156 N 0.35 0.34 -0.16 1.90 4.20 -0.94 -0.95 115.11 119.84 3hr7 h GLN 156 Ca 0.22 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 3hr7 h GLN 156 Cb 0.22 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3hr7 h GLN 156 CO -0.22 0.22 0.06 0.28 -0.67 0.00 0.00 178.83 178.51 3hr7 h VAL 157 N 0.35 1.16 -0.79 -0.54 2.07 -1.08 -2.18 116.25 115.25 3hr7 h VAL 157 Ca 0.11 -0.49 0.03 0.00 0.82 0.00 0.00 66.70 67.18 3hr7 h VAL 157 Cb -0.00 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 3hr7 h VAL 157 CO -0.05 0.15 0.50 -0.07 0.02 0.00 0.00 177.57 178.12 3hr7 h LEU 158 N 0.11 0.82 -0.73 2.57 3.38 -0.82 -1.92 115.31 118.72 3hr7 h LEU 158 Ca 0.05 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3hr7 h LEU 158 Cb 0.18 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3hr7 h LEU 158 CO -0.00 0.56 0.31 -0.61 0.09 0.00 0.00 178.44 178.79 3hr7 h GLN 159 N 0.97 1.08 -0.42 1.13 4.15 -1.08 -1.75 115.11 119.19 3hr7 h GLN 159 Ca 0.32 -0.19 -0.11 0.00 0.77 0.00 0.00 58.65 59.44 3hr7 h GLN 159 Cb 0.03 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 3hr7 h GLN 159 CO -0.12 0.88 -0.18 0.74 -1.93 0.00 0.00 178.83 178.22 3hr7 h PHE 160 N 1.04 0.91 0.00 3.99 0.04 -0.72 -3.15 116.94 119.05 3hr7 h PHE 160 Ca 0.25 -0.20 -0.10 0.00 2.80 0.00 0.00 57.97 60.72 3hr7 h PHE 160 Cb 0.19 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 3hr7 h PHE 160 CO 0.01 0.93 -0.48 -0.84 -0.60 0.00 0.00 178.31 177.33 3hr7 h ILE 161 N 0.72 0.84 -0.01 -0.55 3.07 -1.21 -3.52 117.51 116.85 3hr7 h ILE 161 Ca 0.11 -2.13 0.00 0.00 1.55 0.00 0.00 64.86 64.39 3hr7 h ILE 161 Cb 0.69 2.37 0.00 0.00 -0.27 0.00 0.00 36.82 39.62 3hr7 h ILE 161 CO 0.05 0.47 0.00 0.00 -1.05 0.00 0.00 178.15 177.62