#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hr8 h LYS 5 N 0.00 0.67 -0.78 3.49 1.63 -2.05 -2.25 116.57 117.29 3hr8 h LYS 5 Ca 0.00 -0.27 0.08 0.00 -0.85 0.00 0.00 60.65 59.60 3hr8 h LYS 5 Cb 0.00 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 31.55 3hr8 h LYS 5 CO 0.00 0.86 0.51 -0.56 -3.45 0.00 0.00 179.45 176.81 3hr8 h GLN 6 N 0.58 0.76 -0.94 1.90 3.07 -2.05 0.46 115.11 118.90 3hr8 h GLN 6 Ca 0.08 -0.05 0.01 0.00 0.09 0.00 0.00 58.65 58.78 3hr8 h GLN 6 Cb 0.73 -0.17 -0.05 0.00 0.08 0.00 0.00 27.48 28.07 3hr8 h GLN 6 CO 0.06 0.51 0.62 -0.22 0.09 0.00 0.00 178.83 179.89 3hr8 h LYS 7 N 0.79 1.24 0.21 0.06 3.64 -1.85 -1.73 116.57 118.93 3hr8 h LYS 7 Ca 0.34 -0.08 -0.32 0.00 -1.27 0.00 0.00 60.65 59.33 3hr8 h LYS 7 Cb 0.32 -0.28 0.03 0.00 -0.41 0.00 0.00 32.23 31.89 3hr8 h LYS 7 CO -0.12 0.82 -1.41 -0.22 -2.27 0.00 0.00 179.45 176.25 3hr8 h LYS 8 N 1.28 0.44 -0.43 1.90 3.64 -0.64 -1.70 116.57 121.07 3hr8 h LYS 8 Ca 0.35 -0.76 -0.08 0.00 -1.27 0.00 0.00 60.65 58.88 3hr8 h LYS 8 Cb -0.15 0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 3hr8 h LYS 8 CO -0.07 1.36 -0.08 0.77 -2.27 0.00 0.00 179.45 179.16 3hr8 h SER 9 N 0.12 0.73 -0.50 4.20 0.02 -0.15 2.68 113.55 120.66 3hr8 h SER 9 Ca -0.22 -0.20 -0.09 0.00 -0.84 0.00 0.00 61.79 60.44 3hr8 h SER 9 Cb 2.10 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 64.43 3hr8 h SER 9 CO 0.25 0.85 -0.01 0.58 -1.14 0.00 0.00 176.83 177.36 3hr8 h VAL 10 N 0.69 1.26 0.57 2.27 2.07 -1.39 0.21 116.25 121.93 3hr8 h VAL 10 Ca 0.12 -1.09 -0.03 0.00 0.82 0.00 0.00 66.70 66.52 3hr8 h VAL 10 Cb 0.53 0.85 0.01 0.00 -1.52 0.00 0.00 31.29 31.15 3hr8 h VAL 10 CO 0.03 0.39 -0.28 0.25 0.02 0.00 0.00 177.57 177.99 3hr8 h LEU 11 N 0.86 -0.65 -0.93 2.57 5.85 -0.15 -1.45 115.31 121.40 3hr8 h LEU 11 Ca 0.16 0.02 0.15 0.00 0.84 0.00 0.00 57.88 59.05 3hr8 h LEU 11 Cb 0.51 0.17 -0.10 0.00 0.37 0.00 0.00 40.66 41.62 3hr8 h LEU 11 CO 0.03 -0.40 0.53 -0.33 -0.34 0.00 0.00 178.44 177.93 3hr8 h GLU 12 N -0.90 0.72 -0.71 1.25 5.08 0.46 0.20 114.58 120.67 3hr8 h GLU 12 Ca -0.08 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 3hr8 h GLU 12 Cb 0.59 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 3hr8 h GLU 12 CO 0.13 0.48 0.25 -0.22 -1.00 0.00 0.00 179.01 178.65 3hr8 h LYS 13 N 0.75 1.07 -0.26 2.33 3.11 -0.92 0.27 116.57 122.92 3hr8 h LYS 13 Ca 0.50 -0.21 -0.14 0.00 -2.81 0.00 0.00 60.65 58.00 3hr8 h LYS 13 Cb 0.69 -0.17 -0.00 0.00 -1.00 0.00 0.00 32.23 31.75 3hr8 h LYS 13 CO -0.35 0.90 -0.40 0.00 -2.81 0.00 0.00 179.45 176.79 3hr8 h ALA 14 N 1.23 0.39 -0.28 5.00 0.00 0.07 -1.17 119.26 124.51 3hr8 h ALA 14 Ca 0.23 -0.45 0.04 0.00 0.00 0.00 0.00 54.91 54.73 3hr8 h ALA 14 Cb 0.25 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3hr8 h ALA 14 CO -0.01 0.49 0.06 -0.07 0.00 0.00 0.00 179.25 179.72 3hr8 h LEU 15 N 0.45 0.02 -0.26 0.00 4.07 -0.24 -1.53 115.31 117.83 3hr8 h LEU 15 Ca 0.02 0.04 0.06 0.00 0.08 0.00 0.00 57.88 58.08 3hr8 h LEU 15 Cb 0.99 0.06 -0.06 0.00 1.08 0.00 0.00 40.66 42.73 3hr8 h LEU 15 CO 0.09 0.04 -0.11 0.11 -1.08 0.00 0.00 178.44 177.50 3hr8 h LYS 16 N 0.16 -0.06 -0.51 1.13 1.79 -0.33 0.13 116.57 118.87 3hr8 h LYS 16 Ca 0.13 0.00 0.10 0.00 -2.18 0.00 0.00 60.65 58.70 3hr8 h LYS 16 Cb 0.13 0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 30.72 3hr8 h LYS 16 CO -0.17 -0.04 0.05 0.00 -1.08 0.00 0.00 179.45 178.21 3hr8 h ARG 17 N -0.06 0.17 -0.27 3.15 2.47 -0.71 0.55 114.38 119.67 3hr8 h ARG 17 Ca 0.13 -0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.81 3hr8 h ARG 17 Cb 0.27 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.54 3hr8 h ARG 17 CO -0.30 0.11 0.02 0.82 0.56 0.00 0.00 179.97 181.18 3hr8 h ILE 18 N 0.17 1.25 -0.43 2.04 2.04 -0.80 -0.52 117.51 121.26 3hr8 h ILE 18 Ca 0.26 -0.86 -0.00 0.00 1.00 0.00 0.00 64.86 65.26 3hr8 h ILE 18 Cb 0.38 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 3hr8 h ILE 18 CO -0.39 0.27 0.27 -0.08 0.00 0.00 0.00 178.15 178.22 3hr8 h GLU 19 N 0.26 0.58 0.00 2.37 4.81 0.45 -0.05 114.58 123.00 3hr8 h GLU 19 Ca 0.08 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 3hr8 h GLU 19 Cb 0.38 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 3hr8 h GLU 19 CO 0.01 0.42 -0.07 0.93 -0.73 0.00 0.00 179.01 179.57 3hr8 h GLU 20 N 0.58 0.00 -0.09 1.92 5.08 0.16 0.93 114.58 123.17 3hr8 h GLU 20 Ca 0.16 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.31 3hr8 h GLU 20 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3hr8 h GLU 20 CO -0.03 0.07 -0.80 -0.91 -1.00 0.00 0.00 179.01 176.34 3hr8 h ASN 21 N 0.00 0.67 -0.00 1.42 -0.26 0.64 -3.38 115.58 114.67 3hr8 h ASN 21 Ca -0.00 -0.46 0.00 0.00 -0.56 0.00 0.00 56.30 55.28 3hr8 h ASN 21 Cb 0.53 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.59 3hr8 h ASN 21 CO 0.01 1.23 -0.27 0.49 -1.06 0.00 0.00 177.43 177.83 3hr8 n PHE 22 N -3.86 0.00 0.00 1.19 3.72 -0.48 -5.09 117.46 112.95 3hr8 n PHE 22 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 3hr8 n PHE 22 Cb 0.75 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.29 3hr8 n PHE 22 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hr8 n GLY 23 N 1.02 3.48 3.64 1.37 0.00 0.29 -4.87 105.19 110.12 3hr8 n GLY 23 Ca 0.02 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.88 3hr8 n GLY 23 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hr8 n LYS 24 N -1.08 1.69 -0.97 1.61 4.81 -1.25 -2.01 118.16 120.95 3hr8 n LYS 24 Ca 0.00 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 3hr8 n LYS 24 Cb 0.00 -2.12 0.00 0.00 0.02 0.00 0.00 35.03 32.93 3hr8 n LYS 24 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hr8 n GLY 25 N 1.01 0.92 0.35 3.14 0.00 -1.26 -4.90 105.19 104.45 3hr8 n GLY 25 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 3hr8 n GLY 25 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hr8 h SER 26 N 0.00 0.23 -4.70 1.61 0.02 -1.69 -3.42 113.55 105.60 3hr8 h SER 26 Ca 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.85 3hr8 h SER 26 Cb 0.00 -0.04 -0.21 0.00 0.14 0.00 0.00 62.40 62.29 3hr8 h SER 26 CO 0.00 0.14 -0.17 -0.51 -1.14 0.00 0.00 176.83 175.15 3hr8 s ILE 27 N -5.26 0.03 0.16 3.27 2.07 -1.26 -5.01 121.20 115.20 3hr8 s ILE 27 Ca -0.07 -0.26 -0.11 0.00 -1.41 0.00 0.00 60.65 58.81 3hr8 s ILE 27 Cb 0.19 -0.69 0.00 0.00 0.13 0.00 0.00 42.46 42.10 3hr8 s ILE 27 CO 0.73 -0.14 0.32 -0.04 -1.91 0.00 0.00 174.94 173.90 3hr8 s MET 28 N -0.89 1.15 -0.19 3.50 -1.94 -1.26 -4.88 119.30 114.79 3hr8 s MET 28 Ca -0.09 -1.08 -0.16 0.00 -1.71 0.00 0.00 55.69 52.65 3hr8 s MET 28 Cb -0.04 0.40 -0.04 0.00 2.01 0.00 0.00 34.83 37.17 3hr8 s MET 28 CO 0.04 -0.43 0.41 0.42 -0.01 0.00 0.00 175.02 175.45 3hr8 s ILE 29 N -3.93 5.19 0.50 2.53 1.01 -1.26 -4.97 121.20 120.27 3hr8 s ILE 29 Ca 0.14 0.74 0.16 0.00 0.00 0.00 0.00 60.65 61.69 3hr8 s ILE 29 Cb 0.03 -3.74 0.25 0.00 0.01 0.00 0.00 42.46 39.00 3hr8 s ILE 29 CO -0.02 0.25 2.11 0.25 0.00 0.00 0.00 174.94 177.53 3hr8 h LEU 30 N 7.57 0.00 -0.59 2.97 6.46 -2.00 -0.18 115.31 129.53 3hr8 h LEU 30 Ca -0.36 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.40 3hr8 h LEU 30 Cb 1.16 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.09 3hr8 h LEU 30 CO 0.72 0.05 -0.01 0.61 -0.62 0.00 0.00 178.44 179.20 3hr8 n GLY 31 N -1.38 -0.39 3.06 3.75 0.00 -1.26 -4.75 105.19 104.22 3hr8 n GLY 31 Ca -0.03 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 3hr8 n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hr8 n ASP 32 N -0.29 4.19 -3.55 1.61 9.92 -0.08 -4.73 116.55 123.63 3hr8 n ASP 32 Ca 0.21 -2.86 -0.41 0.00 -0.53 0.00 0.00 54.79 51.20 3hr8 n ASP 32 Cb 0.27 -1.68 -0.01 0.00 -0.64 0.00 0.00 41.12 39.06 3hr8 n ASP 32 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3hr8 n GLU 33 N 7.00 3.88 -3.75 -1.24 4.71 -1.26 -4.70 120.64 125.28 3hr8 n GLU 33 Ca 0.51 -3.00 -0.30 0.00 -0.01 0.00 0.00 57.16 54.36 3hr8 n GLU 33 Cb 0.42 -2.84 -0.14 0.00 -1.01 0.00 0.00 31.44 27.87 3hr8 n GLU 33 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 3hr8 s THR 34 N 0.75 1.45 -0.12 2.62 2.01 -1.26 -4.10 115.64 117.00 3hr8 s THR 34 Ca 0.54 -2.39 0.20 0.00 0.31 0.00 0.00 61.69 60.35 3hr8 s THR 34 Cb 0.16 -2.03 -0.22 0.00 0.01 0.00 0.00 72.50 70.41 3hr8 s THR 34 CO -0.06 -0.83 0.56 1.67 -0.69 0.00 0.00 174.62 175.27 3hr8 n GLN 35 N 3.79 0.65 -1.36 4.92 7.27 -1.26 -4.57 117.38 126.82 3hr8 n GLN 35 Ca 0.06 -0.02 -0.17 0.00 0.07 0.00 0.00 57.00 56.94 3hr8 n GLN 35 Cb 0.36 -1.63 0.11 0.00 2.41 0.00 0.00 30.24 31.49 3hr8 n GLN 35 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 3hr8 n VAL 36 N -2.56 0.00 -2.82 1.69 0.24 -1.26 -4.71 118.33 108.91 3hr8 n VAL 36 Ca -0.10 -0.71 -0.42 0.00 -2.04 0.00 0.00 64.34 61.07 3hr8 n VAL 36 Cb 0.74 -1.51 -0.04 0.00 -1.47 0.00 0.00 33.84 31.56 3hr8 n VAL 36 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3hr8 s GLN 37 N -4.56 4.32 0.43 7.34 -1.52 -1.26 -5.00 119.66 119.41 3hr8 s GLN 37 Ca 0.44 1.13 -0.24 0.00 -1.95 0.00 0.00 55.36 54.74 3hr8 s GLN 37 Cb -0.02 -3.58 -0.10 0.00 -0.22 0.00 0.00 33.01 29.10 3hr8 s GLN 37 CO 0.31 -0.36 1.05 -2.30 -0.25 0.00 0.00 175.29 173.74 3hr8 n PRO 38 N 5.31 1.41 -4.44 2.91 -0.02 -1.26 -4.97 135.00 133.95 3hr8 n PRO 38 Ca 0.06 0.51 -0.21 0.00 -2.02 0.00 0.00 63.50 61.83 3hr8 n PRO 38 Cb 0.48 -2.11 -0.10 0.00 -0.02 0.00 0.00 33.50 31.76 3hr8 n PRO 38 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3hr8 s VAL 39 N -1.28 0.88 0.02 -1.45 -7.23 -1.26 -5.11 120.40 104.97 3hr8 s VAL 39 Ca 0.64 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.50 3hr8 s VAL 39 Cb -0.54 -2.64 -0.05 0.00 0.56 0.00 0.00 36.38 33.71 3hr8 s VAL 39 CO 0.56 0.00 1.25 -1.61 -0.31 0.00 0.00 175.10 174.99 3hr8 s GLU 40 N -3.87 4.37 0.15 4.82 2.02 -1.26 -4.98 118.70 119.94 3hr8 s GLU 40 Ca 0.33 1.80 0.05 0.00 0.02 0.00 0.00 54.97 57.17 3hr8 s GLU 40 Cb 0.07 -3.45 -0.04 0.00 0.10 0.00 0.00 34.13 30.81 3hr8 s GLU 40 CO 0.15 -0.39 -0.11 0.14 0.02 0.00 0.00 175.26 175.08 3hr8 s VAL 41 N 1.67 1.20 -0.25 2.63 -7.23 -1.26 -1.15 120.40 116.02 3hr8 s VAL 41 Ca 0.59 -2.04 -0.09 0.00 -1.81 0.00 0.00 61.98 58.63 3hr8 s VAL 41 Cb -0.29 -1.83 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 3hr8 s VAL 41 CO 0.26 -0.72 0.11 -0.63 -0.31 0.00 0.00 175.10 173.82 3hr8 s ILE 42 N -3.23 4.73 0.82 -0.62 1.01 0.34 -4.90 121.20 119.35 3hr8 s ILE 42 Ca 0.16 -0.03 -0.14 0.00 0.00 0.00 0.00 60.65 60.64 3hr8 s ILE 42 Cb 0.02 -3.22 0.01 0.00 0.01 0.00 0.00 42.46 39.29 3hr8 s ILE 42 CO 0.01 0.33 0.63 -2.65 0.00 0.00 0.00 174.94 173.25 3hr8 n PRO 43 N 4.76 0.07 0.08 2.79 -0.02 -1.26 -0.38 135.00 141.03 3hr8 n PRO 43 Ca -0.15 0.08 0.12 0.00 -2.02 0.00 0.00 63.50 61.52 3hr8 n PRO 43 Cb 0.52 -1.97 0.12 0.00 -0.02 0.00 0.00 33.50 32.15 3hr8 n PRO 43 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3hr8 h THR 44 N -0.90 0.00 0.00 3.45 1.35 -1.92 -3.43 112.91 111.46 3hr8 h THR 44 Ca -0.45 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.76 3hr8 h THR 44 Cb 1.31 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 3hr8 h THR 44 CO 0.40 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.28 3hr8 n GLY 45 N 1.29 0.71 3.10 5.82 0.00 -1.26 -4.03 105.19 110.81 3hr8 n GLY 45 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 3hr8 n GLY 45 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hr8 s SER 46 N -2.82 2.57 0.19 1.61 0.15 -1.26 -4.84 113.70 109.29 3hr8 s SER 46 Ca 0.00 -0.46 -0.08 0.00 0.70 0.00 0.00 55.95 56.10 3hr8 s SER 46 Cb 0.00 -1.17 0.09 0.00 -1.71 0.00 0.00 66.02 63.23 3hr8 s SER 46 CO 0.00 0.06 1.63 0.25 1.20 0.00 0.00 173.24 176.38 3hr8 h LEU 47 N 7.21 1.02 -0.41 3.45 5.85 -1.96 -0.47 115.31 130.00 3hr8 h LEU 47 Ca -0.29 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.12 3hr8 h LEU 47 Cb 1.19 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 3hr8 h LEU 47 CO 0.49 1.10 0.24 0.00 -0.34 0.00 0.00 178.44 179.93 3hr8 h ALA 48 N 1.00 0.52 -0.48 1.25 0.00 -1.95 -1.62 119.26 117.98 3hr8 h ALA 48 Ca 0.16 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 3hr8 h ALA 48 Cb 0.61 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3hr8 h ALA 48 CO 0.04 0.02 -0.00 0.82 0.00 0.00 0.00 179.25 180.12 3hr8 h ILE 49 N 0.54 1.26 -0.80 0.00 2.04 -1.88 -1.69 117.51 116.97 3hr8 h ILE 49 Ca 0.15 -1.07 0.14 0.00 1.00 0.00 0.00 64.86 65.07 3hr8 h ILE 49 Cb 0.01 1.01 -0.09 0.00 -0.74 0.00 0.00 36.82 37.00 3hr8 h ILE 49 CO -0.03 0.37 0.39 0.44 0.00 0.00 0.00 178.15 179.33 3hr8 h ASP 50 N 0.70 0.46 -0.19 1.72 3.32 -0.89 -0.55 116.42 120.99 3hr8 h ASP 50 Ca 0.13 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 3hr8 h ASP 50 Cb 0.51 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 3hr8 h ASP 50 CO 0.03 0.20 0.02 0.40 -1.72 0.00 0.00 179.24 178.17 3hr8 h ILE 51 N 0.58 1.23 -0.25 0.35 2.04 -1.02 -2.72 117.51 117.72 3hr8 h ILE 51 Ca 0.43 -0.77 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 3hr8 h ILE 51 Cb 0.60 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 3hr8 h ILE 51 CO -0.36 0.24 0.14 0.00 0.00 0.00 0.00 178.15 178.17 3hr8 h ALA 52 N 0.82 1.77 0.00 1.87 0.00 -0.35 -0.32 119.26 123.05 3hr8 h ALA 52 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3hr8 h ALA 52 Cb 0.33 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hr8 h ALA 52 CO 0.01 0.20 0.00 1.79 0.00 0.00 0.00 179.25 181.24 3hr8 h THR 53 N 0.35 0.00 0.00 0.00 1.35 -1.02 -3.43 112.91 110.16 3hr8 h THR 53 Ca 0.09 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 3hr8 h THR 53 Cb 0.00 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 3hr8 h THR 53 CO -0.02 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.86 3hr8 n GLY 54 N -0.18 2.44 0.56 5.82 0.00 -0.13 -4.52 105.19 109.18 3hr8 n GLY 54 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.09 3hr8 n GLY 54 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hr8 n VAL 55 N -0.74 0.23 -0.98 1.61 0.24 -1.26 -4.50 118.33 112.93 3hr8 n VAL 55 Ca 0.00 -0.61 0.00 0.00 -2.04 0.00 0.00 64.34 61.69 3hr8 n VAL 55 Cb 0.00 1.09 0.00 0.00 -1.47 0.00 0.00 33.84 33.46 3hr8 n VAL 55 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hr8 n GLY 56 N 0.70 0.43 0.00 7.63 0.00 -1.04 -4.70 105.19 108.22 3hr8 n GLY 56 Ca 0.09 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.10 3hr8 n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hr8 n GLY 57 N -2.83 -1.02 3.70 -0.02 0.00 -1.26 -4.26 105.19 99.49 3hr8 n GLY 57 Ca 0.00 -1.29 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 3hr8 n GLY 57 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hr8 s TYR 58 N -2.91 3.56 0.06 1.61 2.02 0.49 -4.84 117.35 117.34 3hr8 s TYR 58 Ca 0.00 1.55 -0.30 0.00 -0.37 0.00 0.00 57.07 57.95 3hr8 s TYR 58 Cb 0.00 -3.10 -0.05 0.00 -0.40 0.00 0.00 41.96 38.41 3hr8 s TYR 58 CO 0.00 -0.11 1.13 -1.25 -1.57 0.00 0.00 175.55 173.75 3hr8 s PRO 59 N 1.52 4.48 0.59 -1.71 0.04 -1.26 -0.50 135.00 138.15 3hr8 s PRO 59 Ca 0.47 1.67 -0.20 0.00 0.04 0.00 0.00 61.00 62.98 3hr8 s PRO 59 Cb -0.19 -3.37 -0.03 0.00 0.04 0.00 0.00 34.50 30.95 3hr8 s PRO 59 CO 0.21 -0.17 1.34 1.03 0.04 0.00 0.00 177.00 179.46 3hr8 s ARG 60 N 0.91 2.88 -0.23 4.56 0.52 -0.30 -3.15 118.95 124.14 3hr8 s ARG 60 Ca 0.56 2.20 0.00 0.00 -0.52 0.00 0.00 55.73 57.96 3hr8 s ARG 60 Cb -0.27 -2.09 0.00 0.00 0.52 0.00 0.00 34.95 33.11 3hr8 s ARG 60 CO 0.29 -1.38 0.00 0.41 0.02 0.00 0.00 175.30 174.65 3hr8 n GLY 61 N 0.81 0.52 3.10 -3.53 0.00 0.10 -4.92 105.19 101.27 3hr8 n GLY 61 Ca 0.13 -0.96 -0.08 0.00 0.00 0.00 0.00 46.02 45.11 3hr8 n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hr8 s ARG 62 N -2.40 0.63 -0.08 1.61 1.81 -1.18 -3.55 118.95 115.78 3hr8 s ARG 62 Ca 0.00 -1.22 -0.08 0.00 -1.72 0.00 0.00 55.73 52.71 3hr8 s ARG 62 Cb 0.00 0.14 -0.04 0.00 -0.45 0.00 0.00 34.95 34.60 3hr8 s ARG 62 CO 0.00 -0.09 0.20 0.42 -0.68 0.00 0.00 175.30 175.15 3hr8 s ILE 63 N -3.79 5.40 -0.00 1.52 1.01 -1.26 -1.93 121.20 122.15 3hr8 s ILE 63 Ca 0.07 0.29 0.04 0.00 0.00 0.00 0.00 60.65 61.05 3hr8 s ILE 63 Cb 0.07 -3.48 -0.01 0.00 0.01 0.00 0.00 42.46 39.05 3hr8 s ILE 63 CO -0.09 0.57 -0.13 -0.69 0.00 0.00 0.00 174.94 174.60 3hr8 s VAL 64 N -1.08 0.99 -0.10 2.92 1.01 0.28 -0.55 120.40 123.86 3hr8 s VAL 64 Ca 0.19 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.58 3hr8 s VAL 64 Cb -0.13 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 3hr8 s VAL 64 CO 0.08 0.24 -0.11 -0.70 0.00 0.00 0.00 175.10 174.61 3hr8 s GLU 65 N -0.40 3.09 -0.17 2.72 2.12 -0.31 -1.05 118.70 124.70 3hr8 s GLU 65 Ca 0.04 -0.64 0.01 0.00 0.36 0.00 0.00 54.97 54.75 3hr8 s GLU 65 Cb -0.05 -2.60 0.02 0.00 0.26 0.00 0.00 34.13 31.76 3hr8 s GLU 65 CO -0.00 0.40 -0.20 0.42 -0.54 0.00 0.00 175.26 175.34 3hr8 s ILE 66 N -0.13 2.01 0.16 -3.70 1.01 -0.37 -0.59 121.20 119.58 3hr8 s ILE 66 Ca -0.00 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.75 3hr8 s ILE 66 Cb -0.13 -1.81 -0.05 0.00 0.01 0.00 0.00 42.46 40.48 3hr8 s ILE 66 CO 0.03 0.53 -0.03 0.72 0.00 0.00 0.00 174.94 176.20 3hr8 s PHE 67 N 1.19 1.17 0.00 3.97 -0.12 -0.07 -1.35 117.98 122.77 3hr8 s PHE 67 Ca 0.02 -0.95 0.00 0.00 -0.05 0.00 0.00 56.93 55.95 3hr8 s PHE 67 Cb -0.14 -0.66 0.00 0.00 -0.63 0.00 0.00 43.02 41.60 3hr8 s PHE 67 CO -0.10 -0.14 0.00 0.41 -0.05 0.00 0.00 175.22 175.34 3hr8 n GLY 68 N -0.20 -0.44 3.73 1.99 0.00 -1.07 -0.74 105.19 108.46 3hr8 n GLY 68 Ca -0.08 -1.28 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 3hr8 n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hr8 s GLN 69 N -2.00 1.68 0.29 1.61 -0.21 -1.26 -2.57 119.66 117.20 3hr8 s GLN 69 Ca 0.00 1.05 -0.29 0.00 0.02 0.00 0.00 55.36 56.14 3hr8 s GLN 69 Cb 0.00 -1.84 -0.13 0.00 1.00 0.00 0.00 33.01 32.04 3hr8 s GLN 69 CO 0.00 -2.01 1.21 -1.91 -2.12 0.00 0.00 175.29 170.46 3hr8 n GLU 70 N -3.76 1.80 -1.18 2.91 2.13 -1.26 -1.60 120.64 119.67 3hr8 n GLU 70 Ca 0.08 0.63 -0.06 0.00 0.66 0.00 0.00 57.16 58.47 3hr8 n GLU 70 Cb 0.54 -2.16 -0.03 0.00 0.27 0.00 0.00 31.44 30.07 3hr8 n GLU 70 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 3hr8 n SER 71 N 1.28 -4.54 0.17 4.31 7.64 -1.26 -4.86 113.62 116.36 3hr8 n SER 71 Ca 0.08 0.16 0.03 0.00 1.01 0.00 0.00 58.87 60.15 3hr8 n SER 71 Cb 0.33 -2.60 0.25 0.00 -1.01 0.00 0.00 64.21 61.18 3hr8 n SER 71 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3hr8 h SER 72 N 0.00 0.00 0.00 6.43 4.64 -1.63 -3.45 113.55 119.54 3hr8 h SER 72 Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3hr8 h SER 72 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3hr8 h SER 72 CO 0.19 0.47 0.00 0.61 -0.87 0.00 0.00 176.83 177.23 3hr8 n GLY 73 N 0.34 1.30 0.36 -0.77 0.00 -1.26 -3.24 105.19 101.91 3hr8 n GLY 73 Ca -0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 3hr8 n GLY 73 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3hr8 h LYS 74 N 0.22 0.46 -0.31 1.61 2.10 -1.90 -0.97 116.57 117.79 3hr8 h LYS 74 Ca 0.00 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.61 3hr8 h LYS 74 Cb 0.00 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 31.21 3hr8 h LYS 74 CO 0.00 0.31 0.15 1.15 -2.00 0.00 0.00 179.45 179.06 3hr8 h THR 75 N 0.48 1.15 -0.77 0.07 2.02 -1.94 -1.82 112.91 112.10 3hr8 h THR 75 Ca 0.31 -0.42 0.03 0.00 0.77 0.00 0.00 66.41 67.09 3hr8 h THR 75 Cb 0.56 0.86 -0.05 0.00 -1.74 0.00 0.00 68.15 67.78 3hr8 h THR 75 CO -0.09 0.15 0.50 0.74 0.37 0.00 0.00 175.52 177.19 3hr8 h THR 76 N 0.37 1.13 -0.60 3.16 2.02 -1.79 -1.07 112.91 116.13 3hr8 h THR 76 Ca 0.11 -0.34 0.01 0.00 0.77 0.00 0.00 66.41 66.97 3hr8 h THR 76 Cb 0.11 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.55 3hr8 h THR 76 CO -0.01 0.18 0.39 -0.07 0.37 0.00 0.00 175.52 176.37 3hr8 h LEU 77 N 0.98 0.66 -0.74 2.58 -0.00 -0.93 -1.01 115.31 116.84 3hr8 h LEU 77 Ca 0.30 -0.01 -0.06 0.00 -0.00 0.00 0.00 57.88 58.12 3hr8 h LEU 77 Cb -0.02 -0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 40.46 3hr8 h LEU 77 CO -0.10 0.47 0.24 0.00 -0.00 0.00 0.00 178.44 179.05 3hr8 h ALA 78 N 1.24 0.97 -0.61 1.53 0.00 -0.92 -1.41 119.26 120.06 3hr8 h ALA 78 Ca 0.23 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3hr8 h ALA 78 Cb -0.05 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 3hr8 h ALA 78 CO -0.07 0.64 0.08 -0.07 0.00 0.00 0.00 179.25 179.84 3hr8 h LEU 79 N 1.09 0.96 -1.18 0.00 3.38 -0.75 -2.22 115.31 116.59 3hr8 h LEU 79 Ca 0.24 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3hr8 h LEU 79 Cb 0.29 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3hr8 h LEU 79 CO -0.01 0.97 0.05 0.45 0.09 0.00 0.00 178.44 179.99 3hr8 h HIS 80 N 0.94 0.63 -0.36 1.13 3.86 -0.78 -1.14 115.15 119.44 3hr8 h HIS 80 Ca 0.19 -0.06 -0.03 0.00 -1.16 0.00 0.00 60.37 59.31 3hr8 h HIS 80 Cb 0.43 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 3hr8 h HIS 80 CO 0.03 0.58 0.12 0.00 0.86 0.00 0.00 177.93 179.52 3hr8 h ALA 81 N 1.47 0.47 -0.03 2.45 0.00 -0.81 0.44 119.26 123.25 3hr8 h ALA 81 Ca 0.13 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3hr8 h ALA 81 Cb 0.30 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3hr8 h ALA 81 CO 0.00 0.09 -0.21 0.82 0.00 0.00 0.00 179.25 179.96 3hr8 h ILE 82 N 0.43 0.49 -0.95 0.00 2.04 -1.25 -1.58 117.51 116.70 3hr8 h ILE 82 Ca 0.12 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.02 3hr8 h ILE 82 Cb 0.23 0.49 -0.06 0.00 -0.74 0.00 0.00 36.82 36.74 3hr8 h ILE 82 CO -0.01 0.00 0.61 0.00 0.00 0.00 0.00 178.15 178.76 3hr8 h ALA 83 N 0.58 1.27 -0.47 1.87 0.00 -0.78 -1.67 119.26 120.05 3hr8 h ALA 83 Ca 0.07 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 3hr8 h ALA 83 Cb 0.42 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3hr8 h ALA 83 CO -0.22 0.46 -0.24 0.93 0.00 0.00 0.00 179.25 180.19 3hr8 h GLU 84 N 1.17 1.00 -0.64 0.00 4.39 -0.74 0.33 114.58 120.09 3hr8 h GLU 84 Ca 0.39 -0.44 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 3hr8 h GLU 84 Cb 0.05 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 3hr8 h GLU 84 CO -0.14 1.12 0.24 0.00 -1.16 0.00 0.00 179.01 179.07 3hr8 h ALA 85 N 0.86 1.22 -0.17 3.43 0.00 -0.78 -2.16 119.26 121.66 3hr8 h ALA 85 Ca 0.10 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 3hr8 h ALA 85 Cb 0.82 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3hr8 h ALA 85 CO 0.07 0.56 -0.48 1.96 0.00 0.00 0.00 179.25 181.36 3hr8 h GLN 86 N 0.93 0.63 -0.99 0.00 4.20 -1.02 -0.10 115.11 118.75 3hr8 h GLN 86 Ca 0.22 -0.45 0.07 0.00 0.06 0.00 0.00 58.65 58.54 3hr8 h GLN 86 Cb 0.20 0.07 -0.07 0.00 0.30 0.00 0.00 27.48 27.99 3hr8 h GLN 86 CO -0.02 1.07 0.64 -0.22 -0.67 0.00 0.00 178.83 179.63 3hr8 h LYS 87 N 0.30 1.12 0.00 1.46 3.64 -0.65 0.28 116.57 122.72 3hr8 h LYS 87 Ca -0.01 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3hr8 h LYS 87 Cb 1.10 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 3hr8 h LYS 87 CO 0.10 0.74 0.00 -1.33 -2.27 0.00 0.00 179.45 176.70 3hr8 n MET 88 N -4.50 0.15 -0.17 1.90 2.81 -0.84 -4.82 117.12 111.65 3hr8 n MET 88 Ca 0.15 0.19 0.00 0.00 -1.81 0.00 0.00 57.70 56.23 3hr8 n MET 88 Cb 0.19 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 3hr8 n MET 88 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hr8 n GLY 89 N -0.25 0.90 2.78 3.03 0.00 0.99 -5.09 105.19 107.56 3hr8 n GLY 89 Ca 0.05 -0.08 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 3hr8 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hr8 n GLY 90 N -2.17 1.12 3.38 -0.02 0.00 -0.05 -5.00 105.19 102.44 3hr8 n GLY 90 Ca 0.00 -2.07 -0.33 0.00 0.00 0.00 0.00 46.02 43.62 3hr8 n GLY 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hr8 s VAL 91 N -1.95 2.85 0.10 1.61 1.01 -1.26 -4.26 120.40 118.50 3hr8 s VAL 91 Ca 0.46 -0.76 0.10 0.00 0.00 0.00 0.00 61.98 61.78 3hr8 s VAL 91 Cb -0.03 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 3hr8 s VAL 91 CO 0.30 0.55 -0.23 0.00 0.00 0.00 0.00 175.10 175.72 3hr8 s ALA 92 N -0.04 2.48 0.04 5.51 0.00 -1.26 -0.72 121.76 127.77 3hr8 s ALA 92 Ca -0.04 -1.37 0.07 0.00 0.00 0.00 0.00 51.96 50.62 3hr8 s ALA 92 Cb -0.14 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 3hr8 s ALA 92 CO 0.04 0.56 -0.19 0.00 0.00 0.00 0.00 175.76 176.17 3hr8 s ALA 93 N -1.03 1.63 -0.20 0.00 0.00 -0.09 -1.46 121.76 120.60 3hr8 s ALA 93 Ca 0.15 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 51.12 3hr8 s ALA 93 Cb -0.10 -0.31 0.04 0.00 0.00 0.00 0.00 23.12 22.75 3hr8 s ALA 93 CO 0.07 0.36 -0.12 0.12 0.00 0.00 0.00 175.76 176.18 3hr8 s PHE 94 N -0.80 2.60 -0.43 0.00 5.99 0.74 -1.25 117.98 124.84 3hr8 s PHE 94 Ca 0.06 -1.70 -0.16 0.00 0.00 0.00 0.00 56.93 55.13 3hr8 s PHE 94 Cb -0.09 -1.73 0.03 0.00 0.00 0.00 0.00 43.02 41.24 3hr8 s PHE 94 CO 0.02 -0.77 0.36 0.42 -0.00 0.00 0.00 175.22 175.25 3hr8 s ILE 95 N 1.33 5.20 -0.28 3.12 -1.09 0.50 -1.52 121.20 128.46 3hr8 s ILE 95 Ca -0.01 -0.68 -0.05 0.00 -2.23 0.00 0.00 60.65 57.68 3hr8 s ILE 95 Cb -0.16 -4.01 0.02 0.00 -1.58 0.00 0.00 42.46 36.72 3hr8 s ILE 95 CO -0.09 -0.42 0.03 -0.62 -1.23 0.00 0.00 174.94 172.62 3hr8 s ASP 96 N 1.96 4.84 0.00 3.58 2.15 0.11 -1.06 116.67 128.25 3hr8 s ASP 96 Ca 0.07 -0.81 0.09 0.00 0.43 0.00 0.00 52.55 52.32 3hr8 s ASP 96 Cb -0.20 -1.79 0.24 0.00 -0.30 0.00 0.00 42.92 40.87 3hr8 s ASP 96 CO 0.10 -0.18 1.18 0.00 -0.17 0.00 0.00 175.17 176.10 3hr8 n ALA 97 N 4.78 2.18 -0.07 3.66 0.00 0.17 -4.01 120.51 127.21 3hr8 n ALA 97 Ca -0.15 -1.07 -0.05 0.00 0.00 0.00 0.00 53.44 52.16 3hr8 n ALA 97 Cb 0.47 -0.36 -0.15 0.00 0.00 0.00 0.00 19.45 19.41 3hr8 n ALA 97 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3hr8 n GLU 98 N 0.38 0.95 -3.62 0.00 -0.58 -1.18 -4.76 120.64 111.81 3hr8 n GLU 98 Ca 0.09 -0.04 -0.23 0.00 -0.42 0.00 0.00 57.16 56.56 3hr8 n GLU 98 Cb 0.38 -1.47 0.07 0.00 -0.57 0.00 0.00 31.44 29.86 3hr8 n GLU 98 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3hr8 n HIS 99 N -2.58 -2.56 -0.30 -0.32 8.25 -1.26 -4.91 115.22 111.55 3hr8 n HIS 99 Ca -0.25 0.97 0.00 0.00 -0.26 0.00 0.00 57.72 58.18 3hr8 n HIS 99 Cb 0.98 -4.82 0.00 0.00 1.12 0.00 0.00 29.99 27.27 3hr8 n HIS 99 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hr8 n ALA 100 N -4.70 1.75 -1.62 -1.41 0.00 -1.26 -5.08 120.51 108.19 3hr8 n ALA 100 Ca -0.08 -0.46 -0.47 0.00 0.00 0.00 0.00 53.44 52.44 3hr8 n ALA 100 Cb 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.01 3hr8 n ALA 100 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3hr8 n LEU 101 N -0.07 2.30 -4.27 0.00 7.94 -1.26 -4.95 117.00 116.69 3hr8 n LEU 101 Ca 0.00 1.14 -0.44 0.00 -1.11 0.00 0.00 56.01 55.60 3hr8 n LEU 101 Cb 0.13 -1.32 -0.05 0.00 0.53 0.00 0.00 43.42 42.70 3hr8 n LEU 101 CO 0.00 -0.90 0.21 -0.62 -1.11 0.00 0.00 177.39 174.96 3hr8 s ASP 102 N 0.14 6.20 0.51 1.96 -1.08 -1.26 -4.95 116.67 118.19 3hr8 s ASP 102 Ca 0.71 -2.30 0.19 0.00 -0.52 0.00 0.00 52.55 50.63 3hr8 s ASP 102 Cb -0.75 -2.13 1.32 0.00 -1.46 0.00 0.00 42.92 39.90 3hr8 s ASP 102 CO 0.51 -0.65 2.12 -0.65 0.52 0.00 0.00 175.17 177.02 3hr8 h PRO 103 N 8.14 0.00 -0.12 4.34 0.11 -1.99 -0.63 132.00 141.85 3hr8 h PRO 103 Ca -0.09 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.90 3hr8 h PRO 103 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3hr8 h PRO 103 CO 0.85 0.06 -0.39 0.28 -0.21 0.00 0.00 178.00 178.59 3hr8 h VAL 104 N 0.00 1.38 -0.29 3.15 2.07 -1.99 -1.38 116.25 119.19 3hr8 h VAL 104 Ca -0.00 -1.71 -0.01 0.00 0.82 0.00 0.00 66.70 65.80 3hr8 h VAL 104 Cb 0.11 2.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 3hr8 h VAL 104 CO 0.01 0.51 0.13 0.22 0.02 0.00 0.00 177.57 178.46 3hr8 h TYR 105 N 0.05 0.42 -0.62 1.57 3.20 -1.79 -2.19 116.97 117.61 3hr8 h TYR 105 Ca -0.02 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.89 3hr8 h TYR 105 Cb 1.02 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 39.10 3hr8 h TYR 105 CO 0.11 0.39 0.33 0.00 -1.64 0.00 0.00 178.16 177.35 3hr8 h ALA 106 N 0.99 0.83 -0.55 1.82 0.00 -1.10 -0.29 119.26 120.95 3hr8 h ALA 106 Ca 0.10 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3hr8 h ALA 106 Cb 0.13 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3hr8 h ALA 106 CO -0.01 0.00 0.05 -0.22 0.00 0.00 0.00 179.25 179.07 3hr8 h LYS 107 N 0.62 0.94 0.00 0.00 3.64 -1.15 -0.07 116.57 120.55 3hr8 h LYS 107 Ca 0.28 -0.27 -0.10 0.00 -1.27 0.00 0.00 60.65 59.29 3hr8 h LYS 107 Cb 0.18 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 3hr8 h LYS 107 CO -0.18 0.92 -0.47 -0.97 -2.27 0.00 0.00 179.45 176.48 3hr8 h ASN 108 N 0.82 0.00 0.61 4.20 -1.24 -0.74 -2.24 115.58 117.00 3hr8 h ASN 108 Ca 0.16 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 57.06 3hr8 h ASN 108 Cb 0.47 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.50 3hr8 h ASN 108 CO 0.02 0.47 -0.54 0.25 -1.29 0.00 0.00 177.43 176.33 3hr8 h LEU 109 N 0.00 0.00 0.00 0.34 6.46 -0.88 -3.47 115.31 117.76 3hr8 h LEU 109 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3hr8 h LEU 109 Cb 0.93 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.86 3hr8 h LEU 109 CO 0.06 0.54 0.00 0.61 -0.62 0.00 0.00 178.44 179.04 3hr8 n GLY 110 N 0.13 0.01 3.75 3.75 0.00 -0.79 -4.97 105.19 107.08 3hr8 n GLY 110 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3hr8 n GLY 110 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hr8 s VAL 111 N -0.86 3.42 -0.72 1.61 1.01 -0.11 -4.74 120.40 120.01 3hr8 s VAL 111 Ca 0.00 1.36 -0.21 0.00 0.00 0.00 0.00 61.98 63.13 3hr8 s VAL 111 Cb 0.00 -3.87 0.09 0.00 0.00 0.00 0.00 36.38 32.60 3hr8 s VAL 111 CO 0.00 0.30 0.97 -0.62 0.00 0.00 0.00 175.10 175.75 3hr8 s ASP 112 N -0.57 6.29 0.36 3.32 2.15 -1.26 -4.34 116.67 122.62 3hr8 s ASP 112 Ca 0.47 -1.32 0.06 0.00 0.43 0.00 0.00 52.55 52.19 3hr8 s ASP 112 Cb -0.33 -2.40 0.69 0.00 -0.30 0.00 0.00 42.92 40.58 3hr8 s ASP 112 CO 0.41 -1.30 1.92 -0.07 -0.17 0.00 0.00 175.17 175.96 3hr8 h LEU 113 N 10.93 0.44 -1.24 -1.34 3.38 -1.94 -2.89 115.31 122.64 3hr8 h LEU 113 Ca -0.18 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.74 3hr8 h LEU 113 Cb 1.06 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 3hr8 h LEU 113 CO 1.15 0.49 0.51 0.11 0.09 0.00 0.00 178.44 180.79 3hr8 h LYS 114 N 0.46 1.00 -0.00 1.13 1.57 -2.03 -2.91 116.57 115.78 3hr8 h LYS 114 Ca 0.10 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3hr8 h LYS 114 Cb 0.26 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3hr8 h LYS 114 CO 0.00 0.66 -0.70 0.43 -0.57 0.00 0.00 179.45 179.27 3hr8 n SER 115 N -4.43 0.99 -4.70 0.86 7.64 -1.11 -4.94 113.62 107.93 3hr8 n SER 115 Ca 0.09 -0.83 -0.42 0.00 1.01 0.00 0.00 58.87 58.72 3hr8 n SER 115 Cb 0.05 0.61 -0.03 0.00 -1.01 0.00 0.00 64.21 63.83 3hr8 n SER 115 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3hr8 s LEU 116 N -2.88 4.36 0.22 -3.43 0.20 -1.10 -4.70 118.68 111.34 3hr8 s LEU 116 Ca 0.12 2.47 -0.26 0.00 0.69 0.00 0.00 54.13 57.14 3hr8 s LEU 116 Cb 0.17 -3.58 -0.09 0.00 -0.43 0.00 0.00 46.19 42.27 3hr8 s LEU 116 CO 0.74 -0.82 0.84 -0.76 -0.29 0.00 0.00 176.35 176.07 3hr8 s LEU 117 N 1.93 4.53 -0.01 -0.68 1.43 -0.54 -4.97 118.68 120.38 3hr8 s LEU 117 Ca 0.70 1.73 0.02 0.00 -1.03 0.00 0.00 54.13 55.56 3hr8 s LEU 117 Cb -0.40 -3.54 -0.00 0.00 0.03 0.00 0.00 46.19 42.27 3hr8 s LEU 117 CO 0.31 0.13 -0.08 -0.51 0.23 0.00 0.00 176.35 176.43 3hr8 s ILE 118 N -1.29 0.63 -0.01 -0.59 1.10 -1.26 -0.19 121.20 119.60 3hr8 s ILE 118 Ca 0.41 -0.34 0.01 0.00 -0.51 0.00 0.00 60.65 60.22 3hr8 s ILE 118 Cb -0.22 -0.54 0.00 0.00 0.15 0.00 0.00 42.46 41.85 3hr8 s ILE 118 CO 0.27 0.18 -0.04 -0.55 -2.11 0.00 0.00 174.94 172.69 3hr8 s SER 119 N -0.14 0.51 -0.60 4.50 0.15 -0.58 -4.95 113.70 112.60 3hr8 s SER 119 Ca 0.02 -0.07 0.04 0.00 0.70 0.00 0.00 55.95 56.64 3hr8 s SER 119 Cb -0.04 -0.11 0.16 0.00 -1.71 0.00 0.00 66.02 64.33 3hr8 s SER 119 CO -0.00 0.02 0.41 -1.10 1.20 0.00 0.00 173.24 173.77 3hr8 s GLN 120 N 0.14 1.97 0.72 5.44 -0.21 -1.26 0.09 119.66 126.55 3hr8 s GLN 120 Ca -0.01 -2.88 -0.12 0.00 0.02 0.00 0.00 55.36 52.38 3hr8 s GLN 120 Cb -0.04 -2.90 0.03 0.00 1.00 0.00 0.00 33.01 31.10 3hr8 s GLN 120 CO -0.00 -1.27 1.08 -2.14 -2.12 0.00 0.00 175.29 170.84 3hr8 s PRO 121 N -0.83 2.57 0.32 2.91 0.02 -1.26 -4.96 135.00 133.78 3hr8 s PRO 121 Ca 0.25 1.15 0.16 0.00 0.02 0.00 0.00 61.00 62.58 3hr8 s PRO 121 Cb -0.08 -1.94 0.41 0.00 0.02 0.00 0.00 34.50 32.92 3hr8 s PRO 121 CO -0.13 -1.40 1.61 -0.44 -0.33 0.00 0.00 177.00 176.30 3hr8 h ASP 122 N -0.75 0.00 -5.23 2.53 3.32 -1.96 -3.48 116.42 110.85 3hr8 h ASP 122 Ca -0.44 0.00 0.20 0.00 0.02 0.00 0.00 57.03 56.80 3hr8 h ASP 122 Cb 1.23 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.67 3hr8 h ASP 122 CO 0.53 0.48 0.57 -1.38 -1.72 0.00 0.00 179.24 177.73 3hr8 s HIS 123 N -3.35 -0.15 0.14 4.55 -3.43 -1.26 -4.94 115.29 106.84 3hr8 s HIS 123 Ca 0.01 -0.07 -0.18 0.00 -0.80 0.00 0.00 55.06 54.02 3hr8 s HIS 123 Cb 0.10 0.60 0.01 0.00 -1.43 0.00 0.00 32.58 31.85 3hr8 s HIS 123 CO 0.72 -0.64 1.75 0.78 -2.00 0.00 0.00 174.74 175.35 3hr8 h GLY 124 N 2.00 0.35 1.00 -1.38 0.00 -0.91 -0.87 103.07 103.26 3hr8 h GLY 124 Ca -0.24 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3hr8 h GLY 124 CO 0.27 0.03 0.38 1.05 0.00 0.00 0.00 176.54 178.27 3hr8 h GLU 125 N 0.22 0.79 -0.39 4.80 9.09 -1.91 -1.30 114.58 125.88 3hr8 h GLU 125 Ca 0.12 -0.06 -0.01 0.00 0.05 0.00 0.00 59.36 59.47 3hr8 h GLU 125 Cb 0.09 -0.17 -0.02 0.00 -1.65 0.00 0.00 28.75 27.00 3hr8 h GLU 125 CO -0.13 0.54 0.22 0.37 0.05 0.00 0.00 179.01 180.06 3hr8 h GLN 126 N 0.80 0.53 -0.60 1.06 4.15 -1.87 -0.85 115.11 118.34 3hr8 h GLN 126 Ca 0.21 -0.06 0.09 0.00 0.77 0.00 0.00 58.65 59.67 3hr8 h GLN 126 Cb -0.06 -0.11 -0.07 0.00 0.21 0.00 0.00 27.48 27.45 3hr8 h GLN 126 CO -0.04 0.42 0.23 0.00 -1.93 0.00 0.00 178.83 177.50 3hr8 h ALA 127 N 1.08 0.77 -0.00 3.38 0.00 -0.72 0.77 119.26 124.54 3hr8 h ALA 127 Ca 0.14 0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.96 3hr8 h ALA 127 Cb 0.03 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3hr8 h ALA 127 CO -0.02 -0.18 -0.77 -0.07 0.00 0.00 0.00 179.25 178.20 3hr8 h LEU 128 N 0.42 0.07 -0.45 0.00 3.38 -0.79 -1.24 115.31 116.69 3hr8 h LEU 128 Ca 0.30 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 58.08 3hr8 h LEU 128 Cb 0.35 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3hr8 h LEU 128 CO -0.29 0.81 -0.25 -0.33 0.09 0.00 0.00 178.44 178.47 3hr8 h GLU 129 N 0.03 0.97 -0.54 1.13 5.08 -0.76 -1.18 114.58 119.31 3hr8 h GLU 129 Ca -0.01 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 3hr8 h GLU 129 Cb 1.35 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.56 3hr8 h GLU 129 CO 0.10 1.10 0.34 0.82 -1.00 0.00 0.00 179.01 180.38 3hr8 h ILE 130 N 0.81 1.16 -0.51 3.13 2.04 -0.59 -1.02 117.51 122.53 3hr8 h ILE 130 Ca 0.10 -0.33 0.03 0.00 1.00 0.00 0.00 64.86 65.66 3hr8 h ILE 130 Cb 0.83 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 3hr8 h ILE 130 CO 0.07 0.16 0.29 0.58 0.00 0.00 0.00 178.15 179.25 3hr8 h VAL 131 N 0.73 1.02 -0.62 1.67 2.07 -1.04 -1.46 116.25 118.63 3hr8 h VAL 131 Ca 0.20 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3hr8 h VAL 131 Cb -0.04 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 3hr8 h VAL 131 CO -0.04 0.10 0.35 -0.78 0.02 0.00 0.00 177.57 177.22 3hr8 h ASP 132 N 0.57 0.76 -0.45 0.57 -0.00 -0.71 -1.51 116.42 115.64 3hr8 h ASP 132 Ca 0.21 -0.09 -0.05 0.00 -0.00 0.00 0.00 57.03 57.10 3hr8 h ASP 132 Cb 0.06 -0.19 -0.02 0.00 -0.00 0.00 0.00 39.33 39.17 3hr8 h ASP 132 CO -0.12 0.63 0.11 -0.33 -0.00 0.00 0.00 179.24 179.53 3hr8 h GLU 133 N 0.84 0.80 -0.36 0.28 5.08 -0.90 -0.26 114.58 120.05 3hr8 h GLU 133 Ca 0.22 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 3hr8 h GLU 133 Cb 0.03 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3hr8 h GLU 133 CO -0.04 0.73 0.02 -0.07 -1.00 0.00 0.00 179.01 178.66 3hr8 h LEU 134 N 0.77 0.61 0.04 1.33 3.38 -0.85 -1.09 115.31 119.50 3hr8 h LEU 134 Ca 0.17 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.85 3hr8 h LEU 134 Cb 0.31 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3hr8 h LEU 134 CO 0.00 0.75 -0.06 0.58 0.09 0.00 0.00 178.44 179.80 3hr8 h VAL 135 N 0.45 0.86 0.00 1.22 2.07 -1.04 -2.91 116.25 116.90 3hr8 h VAL 135 Ca 0.11 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 3hr8 h VAL 135 Cb 0.42 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3hr8 h VAL 135 CO 0.01 0.00 -0.02 0.03 0.02 0.00 0.00 177.57 177.61 3hr8 h ARG 136 N -0.12 0.00 0.00 1.57 3.08 -0.77 -2.65 114.38 115.49 3hr8 h ARG 136 Ca 0.01 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 3hr8 h ARG 136 Cb 0.13 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 3hr8 h ARG 136 CO -0.03 0.02 -0.14 0.66 -1.07 0.00 0.00 179.97 179.41 3hr8 h SER 137 N 0.00 0.00 0.00 7.04 4.64 -0.99 -3.46 113.55 120.78 3hr8 h SER 137 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hr8 h SER 137 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3hr8 h SER 137 CO 0.00 0.14 0.00 0.61 -0.87 0.00 0.00 176.83 176.72 3hr8 n GLY 138 N 0.12 1.19 0.69 -0.77 0.00 -1.00 -4.85 105.19 100.57 3hr8 n GLY 138 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.13 3hr8 n GLY 138 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hr8 n VAL 139 N -2.00 0.00 -5.20 1.61 0.31 -1.26 -4.94 118.33 106.85 3hr8 n VAL 139 Ca 0.00 -0.42 -0.32 0.00 -0.01 0.00 0.00 64.34 63.59 3hr8 n VAL 139 Cb 0.00 1.36 -0.17 0.00 -0.91 0.00 0.00 33.84 34.12 3hr8 n VAL 139 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3hr8 s VAL 140 N -1.95 2.12 -0.05 2.52 1.01 -1.26 -4.65 120.40 118.14 3hr8 s VAL 140 Ca 0.21 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.20 3hr8 s VAL 140 Cb 0.17 -1.80 -0.26 0.00 0.00 0.00 0.00 36.38 34.49 3hr8 s VAL 140 CO 0.36 0.56 0.63 0.44 0.00 0.00 0.00 175.10 177.09 3hr8 h ASP 141 N 6.56 0.27 -3.37 3.32 5.19 -1.25 -3.38 116.42 123.75 3hr8 h ASP 141 Ca -0.22 -0.50 -0.12 0.00 -0.62 0.00 0.00 57.03 55.57 3hr8 h ASP 141 Cb 1.22 -0.09 -0.26 0.00 0.18 0.00 0.00 39.33 40.39 3hr8 h ASP 141 CO 0.48 1.44 -0.28 -0.22 -3.12 0.00 0.00 179.24 177.54 3hr8 s LEU 142 N -6.71 0.01 -0.08 1.55 0.20 -1.11 -0.39 118.68 112.17 3hr8 s LEU 142 Ca -0.12 0.89 0.03 0.00 0.69 0.00 0.00 54.13 55.61 3hr8 s LEU 142 Cb 0.07 1.38 0.01 0.00 -0.43 0.00 0.00 46.19 47.22 3hr8 s LEU 142 CO 0.81 -0.18 -0.16 -0.63 -0.29 0.00 0.00 176.35 175.90 3hr8 s ILE 143 N 1.13 1.42 -0.18 6.68 1.01 -0.09 -0.92 121.20 130.25 3hr8 s ILE 143 Ca -0.07 -0.64 -0.05 0.00 0.00 0.00 0.00 60.65 59.88 3hr8 s ILE 143 Cb -0.07 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 41.10 3hr8 s ILE 143 CO -0.10 0.42 0.00 -0.69 0.00 0.00 0.00 174.94 174.57 3hr8 s VAL 144 N 0.59 4.15 -0.32 2.92 1.01 -0.38 -0.02 120.40 128.36 3hr8 s VAL 144 Ca -0.15 -0.26 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 3hr8 s VAL 144 Cb -0.16 -2.85 0.03 0.00 0.00 0.00 0.00 36.38 33.40 3hr8 s VAL 144 CO 0.05 0.46 0.07 -0.69 0.00 0.00 0.00 175.10 174.99 3hr8 s VAL 145 N 0.60 3.64 -0.32 2.92 1.01 0.16 -0.37 120.40 128.03 3hr8 s VAL 145 Ca -0.00 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 60.91 3hr8 s VAL 145 Cb -0.14 -3.01 0.10 0.00 0.00 0.00 0.00 36.38 33.33 3hr8 s VAL 145 CO 0.02 -0.09 0.08 -0.62 0.00 0.00 0.00 175.10 174.50 3hr8 s ASP 146 N 1.39 4.29 0.35 3.32 3.68 -0.22 -1.27 116.67 128.21 3hr8 s ASP 146 Ca -0.01 -1.83 -0.04 0.00 2.13 0.00 0.00 52.55 52.79 3hr8 s ASP 146 Cb -0.19 -1.14 0.01 0.00 -1.45 0.00 0.00 42.92 40.16 3hr8 s ASP 146 CO 0.02 -0.40 0.53 -0.94 0.13 0.00 0.00 175.17 174.50 3hr8 s SER 147 N 1.35 0.82 0.06 -0.34 1.04 -1.26 0.41 113.70 115.78 3hr8 s SER 147 Ca 0.10 -1.45 -0.37 0.00 0.48 0.00 0.00 55.95 54.71 3hr8 s SER 147 Cb -0.18 0.70 -0.21 0.00 0.10 0.00 0.00 66.02 66.43 3hr8 s SER 147 CO -0.19 -1.37 1.56 0.58 0.98 0.00 0.00 173.24 174.80 3hr8 h VAL 148 N 2.08 0.00 -0.83 5.02 2.07 -1.63 -2.96 116.25 119.99 3hr8 h VAL 148 Ca -0.29 -0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.44 3hr8 h VAL 148 Cb 1.24 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.87 3hr8 h VAL 148 CO 0.39 0.00 0.15 0.00 0.02 0.00 0.00 177.57 178.13 3hr8 h ALA 149 N -1.38 1.09 0.00 1.67 0.00 -1.96 0.29 119.26 118.97 3hr8 h ALA 149 Ca -0.14 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3hr8 h ALA 149 Cb 1.03 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3hr8 h ALA 149 CO 0.23 -0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.03 3hr8 n ALA 150 N -2.79 1.47 -2.27 0.00 0.00 -1.14 -4.38 120.51 111.41 3hr8 n ALA 150 Ca 0.18 0.09 -0.39 0.00 0.00 0.00 0.00 53.44 53.32 3hr8 n ALA 150 Cb 0.60 -1.32 -0.02 0.00 0.00 0.00 0.00 19.45 18.71 3hr8 n ALA 150 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hr8 n LEU 151 N -2.08 4.56 -4.76 0.00 4.77 0.10 -4.85 117.00 114.74 3hr8 n LEU 151 Ca 0.01 -3.68 -0.38 0.00 -0.03 0.00 0.00 56.01 51.94 3hr8 n LEU 151 Cb 0.16 -1.70 -0.06 0.00 -2.33 0.00 0.00 43.42 39.49 3hr8 n LEU 151 CO 0.15 -0.34 0.18 -0.69 -1.33 0.00 0.00 177.39 175.36 3hr8 s VAL 152 N 6.10 5.08 0.51 4.08 1.01 -1.26 -4.52 120.40 131.40 3hr8 s VAL 152 Ca 0.58 0.98 -0.23 0.00 0.00 0.00 0.00 61.98 63.31 3hr8 s VAL 152 Cb 0.04 -3.81 -0.06 0.00 0.00 0.00 0.00 36.38 32.55 3hr8 s VAL 152 CO 0.08 0.42 1.29 -2.65 0.00 0.00 0.00 175.10 174.24 3hr8 n PRO 153 N 2.94 1.70 -0.10 2.72 -0.02 -1.26 -0.32 135.00 140.66 3hr8 n PRO 153 Ca -0.09 0.62 -0.13 0.00 -2.02 0.00 0.00 63.50 61.88 3hr8 n PRO 153 Cb 0.52 -2.48 -0.09 0.00 -0.02 0.00 0.00 33.50 31.43 3hr8 n PRO 153 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3hr8 h ARG 154 N 1.55 -0.39 -0.77 -0.52 2.43 -1.92 -2.12 114.38 112.64 3hr8 h ARG 154 Ca -0.50 0.03 0.13 0.00 -0.81 0.00 0.00 59.98 58.83 3hr8 h ARG 154 Cb 1.31 0.09 -0.09 0.00 -0.42 0.00 0.00 29.97 30.86 3hr8 h ARG 154 CO 0.57 -0.26 0.34 0.00 -1.51 0.00 0.00 179.97 179.11 3hr8 h ALA 155 N -0.22 1.09 -0.94 2.80 0.00 -1.91 1.00 119.26 121.08 3hr8 h ALA 155 Ca 0.06 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3hr8 h ALA 155 Cb 0.57 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 3hr8 h ALA 155 CO -0.51 -0.16 0.56 1.49 0.00 0.00 0.00 179.25 180.64 3hr8 h GLU 156 N 0.51 1.27 -0.19 0.00 4.81 -1.73 0.69 114.58 119.93 3hr8 h GLU 156 Ca 0.41 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.51 3hr8 h GLU 156 Cb 0.59 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 3hr8 h GLU 156 CO -0.37 0.89 0.04 0.82 -0.73 0.00 0.00 179.01 179.66 3hr8 h ILE 157 N 1.29 1.21 0.00 2.32 2.04 -0.21 -1.23 117.51 122.93 3hr8 h ILE 157 Ca 0.34 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3hr8 h ILE 157 Cb -0.05 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 3hr8 h ILE 157 CO -0.06 0.21 0.00 -0.62 0.00 0.00 0.00 178.15 177.68 3hr8 n GLU 158 N -4.77 0.49 -1.12 2.37 1.02 -0.24 -4.87 120.64 113.52 3hr8 n GLU 158 Ca -0.04 0.03 -0.04 0.00 -0.02 0.00 0.00 57.16 57.08 3hr8 n GLU 158 Cb 0.17 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.07 3hr8 n GLU 158 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hr8 n GLY 159 N 0.14 0.71 3.35 0.62 0.00 0.06 -4.97 105.19 105.09 3hr8 n GLY 159 Ca 0.12 -0.75 -0.44 0.00 0.00 0.00 0.00 46.02 44.96 3hr8 n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hr8 n ALA 160 N 1.08 4.16 -3.23 4.61 0.00 -0.18 -4.90 120.51 122.06 3hr8 n ALA 160 Ca -0.04 -4.29 -0.24 0.00 0.00 0.00 0.00 53.44 48.86 3hr8 n ALA 160 Cb 0.15 -2.99 -0.06 0.00 0.00 0.00 0.00 19.45 16.55 3hr8 n ALA 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hr8 n MET 161 N 5.09 1.50 0.00 0.00 0.00 -1.26 -4.54 117.12 117.91 3hr8 n MET 161 Ca 0.36 -3.80 0.00 0.00 0.00 0.00 0.00 57.70 54.26 3hr8 n MET 161 Cb 0.41 -1.68 0.00 0.00 0.00 0.00 0.00 33.22 31.95 3hr8 n MET 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3hr8 n GLY 162 N 0.89 -0.79 3.20 3.17 0.00 -1.26 -4.98 105.19 105.42 3hr8 n GLY 162 Ca 0.25 -0.17 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 3hr8 n GLY 162 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hr8 n ASP 163 N 0.00 -0.98 -0.32 1.61 2.03 -1.26 -4.95 116.55 112.68 3hr8 n ASP 163 Ca 0.00 -1.24 0.13 0.00 0.52 0.00 0.00 54.79 54.20 3hr8 n ASP 163 Cb 0.00 -0.88 0.31 0.00 -0.72 0.00 0.00 41.12 39.83 3hr8 n ASP 163 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 3hr8 h MET 164 N 0.00 0.49 -5.35 -0.67 2.86 -2.00 -3.38 114.93 106.88 3hr8 h MET 164 Ca -0.37 -0.03 -0.66 0.00 -2.06 0.00 0.00 59.70 56.59 3hr8 h MET 164 Cb 1.06 -0.11 -0.16 0.00 0.06 0.00 0.00 31.60 32.46 3hr8 h MET 164 CO 0.25 0.33 0.14 1.14 1.06 0.00 0.00 176.91 179.83 3hr8 s GLN 165 N -5.87 3.25 0.03 1.72 0.00 -1.26 -4.89 119.66 112.63 3hr8 s GLN 165 Ca -0.11 -0.47 0.10 0.00 -0.00 0.00 0.00 55.36 54.87 3hr8 s GLN 165 Cb 0.25 -3.99 -0.22 0.00 0.00 0.00 0.00 33.01 29.05 3hr8 s GLN 165 CO 0.78 -1.09 0.93 -0.24 0.00 0.00 0.00 175.29 175.67 3hr8 h VAL 166 N 5.89 1.22 -0.73 3.63 3.04 -1.94 -3.38 116.25 123.97 3hr8 h VAL 166 Ca -0.26 -3.01 -0.41 0.00 -1.01 0.00 0.00 66.70 62.01 3hr8 h VAL 166 Cb 1.09 2.61 -0.24 0.00 -2.01 0.00 0.00 31.29 32.74 3hr8 h VAL 166 CO 0.92 0.70 0.30 0.61 -1.01 0.00 0.00 177.57 179.09 3hr8 n GLY 167 N 1.47 4.99 0.11 3.17 0.00 -1.26 -4.59 105.19 109.09 3hr8 n GLY 167 Ca -0.10 -1.43 -0.14 0.00 0.00 0.00 0.00 46.02 44.36 3hr8 n GLY 167 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hr8 h LEU 168 N 1.22 0.29 -0.72 0.99 6.46 -2.00 -3.26 115.31 118.31 3hr8 h LEU 168 Ca 0.45 -0.54 0.10 0.00 -0.12 0.00 0.00 57.88 57.77 3hr8 h LEU 168 Cb 2.01 -0.08 -0.07 0.00 -0.73 0.00 0.00 40.66 41.79 3hr8 h LEU 168 CO 0.88 0.78 0.35 1.56 -0.62 0.00 0.00 178.44 181.39 3hr8 h GLN 169 N -0.18 0.58 -0.98 1.25 7.50 -1.92 -0.33 115.11 121.02 3hr8 h GLN 169 Ca 0.01 -0.03 0.19 0.00 0.50 0.00 0.00 58.65 59.31 3hr8 h GLN 169 Cb 0.72 -0.13 -0.18 0.00 0.05 0.00 0.00 27.48 27.94 3hr8 h GLN 169 CO 0.03 0.38 -0.26 0.00 -1.50 0.00 0.00 178.83 177.48 3hr8 n ALA 170 N -2.42 0.19 -0.20 3.87 0.00 -1.23 0.17 120.51 120.90 3hr8 n ALA 170 Ca 0.11 1.06 -0.10 0.00 0.00 0.00 0.00 53.44 54.52 3hr8 n ALA 170 Cb 0.29 -0.62 0.02 0.00 0.00 0.00 0.00 19.45 19.14 3hr8 n ALA 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hr8 h ARG 171 N 0.00 1.02 -0.53 0.00 3.08 -1.22 -1.46 114.38 115.27 3hr8 h ARG 171 Ca 0.45 -0.34 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 3hr8 h ARG 171 Cb 0.70 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 3hr8 h ARG 171 CO -1.00 1.03 0.33 -0.07 -1.07 0.00 0.00 179.97 179.18 3hr8 h LEU 172 N 0.91 0.63 0.27 3.04 3.38 0.24 -0.44 115.31 123.35 3hr8 h LEU 172 Ca 0.16 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3hr8 h LEU 172 Cb 0.58 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3hr8 h LEU 172 CO 0.03 0.49 -0.13 0.24 0.09 0.00 0.00 178.44 179.16 3hr8 h MET 173 N 0.72 -0.35 -0.95 1.13 2.86 0.19 0.53 114.93 119.06 3hr8 h MET 173 Ca 0.19 0.02 0.23 0.00 -2.06 0.00 0.00 59.70 58.09 3hr8 h MET 173 Cb -0.04 0.08 -0.07 0.00 0.06 0.00 0.00 31.60 31.63 3hr8 h MET 173 CO -0.04 -0.07 0.63 0.77 1.06 0.00 0.00 176.91 179.27 3hr8 h SER 174 N -0.62 0.35 -0.12 1.22 0.02 -1.22 0.23 113.55 113.40 3hr8 h SER 174 Ca -0.04 0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 3hr8 h SER 174 Cb 0.45 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.97 3hr8 h SER 174 CO 0.06 0.12 -0.25 -0.61 -1.14 0.00 0.00 176.83 175.01 3hr8 h GLN 175 N 0.33 0.39 -0.97 3.45 4.15 -0.71 -1.02 115.11 120.73 3hr8 h GLN 175 Ca 0.50 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 59.67 3hr8 h GLN 175 Cb 1.37 0.03 -0.05 0.00 0.21 0.00 0.00 27.48 29.05 3hr8 h GLN 175 CO -0.18 0.85 0.62 0.00 -1.93 0.00 0.00 178.83 178.19 3hr8 h ALA 176 N 0.53 1.23 -0.53 3.38 0.00 0.14 -0.79 119.26 123.23 3hr8 h ALA 176 Ca 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3hr8 h ALA 176 Cb 0.84 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3hr8 h ALA 176 CO 0.06 0.65 0.23 1.25 0.00 0.00 0.00 179.25 181.43 3hr8 h LEU 177 N 1.32 0.72 -0.58 0.00 5.85 -0.61 -0.65 115.31 121.37 3hr8 h LEU 177 Ca 0.35 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.94 3hr8 h LEU 177 Cb -0.12 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.69 3hr8 h LEU 177 CO -0.07 0.68 0.36 -0.09 -0.34 0.00 0.00 178.44 178.97 3hr8 h ARG 178 N 0.71 0.69 -0.18 1.25 2.43 -0.56 0.33 114.38 119.05 3hr8 h ARG 178 Ca 0.18 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.36 3hr8 h ARG 178 Cb 0.17 -0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.51 3hr8 h ARG 178 CO -0.02 0.46 -0.15 0.87 -1.51 0.00 0.00 179.97 179.62 3hr8 h LYS 179 N 0.71 -0.15 -0.43 0.20 1.57 -0.72 0.67 116.57 118.41 3hr8 h LYS 179 Ca 0.23 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.07 3hr8 h LYS 179 Cb 0.00 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 3hr8 h LYS 179 CO -0.09 -0.10 0.18 0.82 -0.57 0.00 0.00 179.45 179.69 3hr8 h ILE 180 N -0.16 0.91 -0.44 1.86 2.04 -0.15 -0.61 117.51 120.96 3hr8 h ILE 180 Ca 0.11 -0.13 0.06 0.00 1.00 0.00 0.00 64.86 65.90 3hr8 h ILE 180 Cb 0.32 0.51 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 3hr8 h ILE 180 CO -0.27 0.07 0.14 0.00 0.00 0.00 0.00 178.15 178.09 3hr8 h ALA 181 N 1.26 0.52 -0.47 1.87 0.00 0.19 0.59 119.26 123.21 3hr8 h ALA 181 Ca 0.20 0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.26 3hr8 h ALA 181 Cb 0.15 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.89 3hr8 h ALA 181 CO -0.18 -0.25 -0.16 0.78 0.00 0.00 0.00 179.25 179.44 3hr8 h GLY 182 N 0.31 0.25 1.69 0.00 0.00 -0.07 -2.86 103.07 102.39 3hr8 h GLY 182 Ca 0.21 0.21 -0.14 0.00 0.00 0.00 0.00 47.33 47.60 3hr8 h GLY 182 CO -0.22 -0.20 -0.56 1.76 0.00 0.00 0.00 176.54 177.32 3hr8 h SER 183 N -0.05 0.36 0.33 0.19 0.02 -0.11 -3.25 113.55 111.03 3hr8 h SER 183 Ca 0.23 -0.19 -0.12 0.00 -0.84 0.00 0.00 61.79 60.87 3hr8 h SER 183 Cb 0.40 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 3hr8 h SER 183 CO -0.52 0.84 -0.49 -0.37 -1.14 0.00 0.00 176.83 175.15 3hr8 h VAL 184 N 0.24 1.35 -0.15 2.27 -1.51 -0.69 -2.80 116.25 114.96 3hr8 h VAL 184 Ca 0.00 -1.72 0.04 0.00 -1.23 0.00 0.00 66.70 63.79 3hr8 h VAL 184 Cb 1.06 1.84 -0.01 0.00 -2.13 0.00 0.00 31.29 32.05 3hr8 h VAL 184 CO 0.09 0.51 0.12 0.78 -1.23 0.00 0.00 177.57 177.84 3hr8 h ASN 185 N 0.16 0.00 -0.61 4.19 2.35 -1.56 -1.06 115.58 119.04 3hr8 h ASN 185 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3hr8 h ASN 185 Cb 0.93 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.30 3hr8 h ASN 185 CO 0.07 0.00 0.00 0.29 -1.65 0.00 0.00 177.43 176.14 3hr8 n LYS 186 N -4.38 2.44 -4.48 0.81 4.01 -1.06 -4.92 118.16 110.57 3hr8 n LYS 186 Ca 0.01 -2.24 -0.26 0.00 -0.51 0.00 0.00 58.31 55.30 3hr8 n LYS 186 Cb 0.24 -1.49 -0.10 0.00 -0.51 0.00 0.00 35.03 33.18 3hr8 n LYS 186 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 3hr8 s SER 187 N -1.02 3.97 0.00 4.39 1.04 -0.40 -5.01 113.70 116.67 3hr8 s SER 187 Ca 0.42 -1.22 0.19 0.00 0.48 0.00 0.00 55.95 55.82 3hr8 s SER 187 Cb 0.22 -0.42 0.72 0.00 0.10 0.00 0.00 66.02 66.63 3hr8 s SER 187 CO 0.29 -0.37 1.52 2.29 0.98 0.00 0.00 173.24 177.95 3hr8 n LYS 188 N -0.96 1.66 -2.92 4.02 2.85 -1.26 -3.53 118.16 118.01 3hr8 n LYS 188 Ca -0.04 -1.00 -0.35 0.00 -1.05 0.00 0.00 58.31 55.86 3hr8 n LYS 188 Cb 0.65 -1.36 -0.06 0.00 -0.65 0.00 0.00 35.03 33.60 3hr8 n LYS 188 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3hr8 s ALA 189 N -1.78 3.25 -0.18 0.58 0.00 -1.26 -4.18 121.76 118.18 3hr8 s ALA 189 Ca 0.30 0.34 -0.08 0.00 0.00 0.00 0.00 51.96 52.52 3hr8 s ALA 189 Cb 0.16 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.21 3hr8 s ALA 189 CO 0.24 0.23 0.10 0.08 0.00 0.00 0.00 175.76 176.41 3hr8 s VAL 190 N -1.75 5.13 -0.21 0.00 1.01 0.48 0.02 120.40 125.08 3hr8 s VAL 190 Ca 0.51 0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.57 3hr8 s VAL 190 Cb -0.15 -3.31 0.02 0.00 0.00 0.00 0.00 36.38 32.94 3hr8 s VAL 190 CO 0.20 0.47 -0.12 -0.69 0.00 0.00 0.00 175.10 174.96 3hr8 s VAL 191 N 0.16 2.56 -0.17 2.92 1.01 -0.81 -0.91 120.40 125.16 3hr8 s VAL 191 Ca 0.07 -0.93 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 3hr8 s VAL 191 Cb -0.12 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 3hr8 s VAL 191 CO -0.00 0.37 -0.03 -0.63 0.00 0.00 0.00 175.10 174.81 3hr8 s ILE 192 N 1.32 3.86 -0.18 2.22 1.01 0.98 -0.55 121.20 129.85 3hr8 s ILE 192 Ca 0.03 -0.36 -0.05 0.00 0.00 0.00 0.00 60.65 60.27 3hr8 s ILE 192 Cb -0.15 -2.71 -0.03 0.00 0.01 0.00 0.00 42.46 39.59 3hr8 s ILE 192 CO -0.08 0.47 -0.00 -0.36 0.00 0.00 0.00 174.94 174.97 3hr8 s PHE 193 N 0.60 3.07 0.13 3.97 0.08 -0.21 0.38 117.98 126.00 3hr8 s PHE 193 Ca -0.02 -0.28 -0.05 0.00 0.12 0.00 0.00 56.93 56.69 3hr8 s PHE 193 Cb -0.14 -2.02 -0.06 0.00 -0.57 0.00 0.00 43.02 40.23 3hr8 s PHE 193 CO 0.02 -0.07 0.38 0.95 -0.10 0.00 0.00 175.22 176.40 3hr8 s THR 194 N 0.58 5.16 0.08 0.64 -4.23 -0.40 -1.24 115.64 116.24 3hr8 s THR 194 Ca -0.01 0.09 -0.12 0.00 -1.18 0.00 0.00 61.69 60.47 3hr8 s THR 194 Cb -0.14 -3.62 0.01 0.00 1.34 0.00 0.00 72.50 70.09 3hr8 s THR 194 CO 0.02 0.08 0.27 0.21 -0.54 0.00 0.00 174.62 174.66 3hr8 s ASN 195 N -2.33 -0.04 0.28 3.99 3.04 -0.45 -2.03 114.94 117.40 3hr8 s ASN 195 Ca 0.40 -0.42 0.08 0.00 0.04 0.00 0.00 52.86 52.95 3hr8 s ASN 195 Cb -0.12 0.37 -0.04 0.00 -1.54 0.00 0.00 41.25 39.92 3hr8 s ASN 195 CO 0.23 -0.71 0.17 -1.58 -3.04 0.00 0.00 177.10 172.17 3hr8 s GLN 196 N -3.38 2.70 0.00 0.43 2.00 -1.26 -2.59 119.66 117.55 3hr8 s GLN 196 Ca 0.01 -1.23 0.00 0.00 -2.00 0.00 0.00 55.36 52.14 3hr8 s GLN 196 Cb 0.02 -2.42 0.00 0.00 0.80 0.00 0.00 33.01 31.41 3hr8 s GLN 196 CO -0.09 0.30 0.74 -0.89 -0.50 0.00 0.00 175.29 174.85 3hr8 n ILE 197 N -1.16 0.54 -5.05 -2.34 5.41 -1.06 -3.92 119.36 111.78 3hr8 n ILE 197 Ca -0.06 -0.66 -0.32 0.00 1.00 0.00 0.00 62.75 62.72 3hr8 n ILE 197 Cb 0.59 0.80 -0.14 0.00 -0.71 0.00 0.00 39.64 40.17 3hr8 n ILE 197 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 3hr8 s ARG 198 N -0.54 2.28 -1.36 0.38 1.81 -1.26 -4.88 118.95 115.38 3hr8 s ARG 198 Ca 0.00 -0.83 -0.05 0.00 -1.72 0.00 0.00 55.73 53.13 3hr8 s ARG 198 Cb 0.00 -2.21 0.02 0.00 -0.45 0.00 0.00 34.95 32.31 3hr8 s ARG 198 CO 0.00 0.59 0.88 -1.33 -0.68 0.00 0.00 175.30 174.75 3hr8 n MET 199 N 2.29 -5.68 -1.62 3.54 2.81 -1.26 -4.87 117.12 112.33 3hr8 n MET 199 Ca -0.17 0.67 -0.40 0.00 -1.81 0.00 0.00 57.70 56.00 3hr8 n MET 199 Cb 0.52 -5.44 0.03 0.00 -0.71 0.00 0.00 33.22 27.61 3hr8 n MET 199 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 3hr8 n LYS 200 N -4.45 1.22 -4.19 0.03 0.00 -1.26 -5.01 118.16 104.50 3hr8 n LYS 200 Ca -0.17 0.45 -0.23 0.00 0.00 0.00 0.00 58.31 58.35 3hr8 n LYS 200 Cb 0.62 -2.11 -0.06 0.00 0.00 0.00 0.00 35.03 33.48 3hr8 n LYS 200 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 3hr8 s ILE 201 N -1.37 3.99 0.07 3.15 -4.36 -1.26 -4.25 121.20 117.16 3hr8 s ILE 201 Ca 0.67 -1.56 -0.17 0.00 -0.26 0.00 0.00 60.65 59.34 3hr8 s ILE 201 Cb -0.50 -3.12 -0.14 0.00 1.25 0.00 0.00 42.46 39.96 3hr8 s ILE 201 CO 0.53 -0.30 1.32 1.23 0.24 0.00 0.00 174.94 177.96 3hr8 h GLY 202 N 1.89 0.64 -5.50 6.27 0.00 -1.99 -3.50 103.07 100.89 3hr8 h GLY 202 Ca -0.47 -0.78 -0.56 0.00 0.00 0.00 0.00 47.33 45.52 3hr8 h GLY 202 CO 0.60 0.70 -0.84 0.14 0.00 0.00 0.00 176.54 177.15 3hr8 s VAL 203 N -4.00 1.43 0.00 4.60 1.01 -1.26 -5.11 120.40 117.08 3hr8 s VAL 203 Ca -0.13 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.17 3hr8 s VAL 203 Cb 0.07 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 35.19 3hr8 s VAL 203 CO 0.82 0.42 0.00 0.80 0.00 0.00 0.00 175.10 177.14 3hr8 n MET 204 N 3.46 0.00 -1.27 2.72 0.00 -1.26 -4.95 117.12 115.81 3hr8 n MET 204 Ca -0.20 0.00 -0.30 0.00 -0.00 0.00 0.00 57.70 57.20 3hr8 n MET 204 Cb 0.52 0.00 0.12 0.00 0.00 0.00 0.00 33.22 33.86 3hr8 n MET 204 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 175.97 176.09 3hr8 s PHE 205 N 0.00 2.47 -0.11 1.12 5.99 -1.26 -4.46 117.98 121.73 3hr8 s PHE 205 Ca 0.00 1.32 -0.03 0.00 0.00 0.00 0.00 56.93 58.22 3hr8 s PHE 205 Cb 0.00 -3.12 -0.03 0.00 0.00 0.00 0.00 43.02 39.87 3hr8 s PHE 205 CO 0.00 -2.13 0.02 0.20 -0.00 0.00 0.00 175.22 173.31 3hr8 s GLY 206 N -3.49 1.89 0.27 13.12 0.00 -1.26 -4.98 107.32 112.87 3hr8 s GLY 206 Ca 0.62 -0.78 -0.03 0.00 0.00 0.00 0.00 44.72 44.53 3hr8 s GLY 206 CO 0.56 -0.44 0.37 -1.14 0.00 0.00 0.00 173.10 172.46 3hr8 n SER 207 N 2.38 0.19 -4.72 1.64 3.41 -1.26 -5.02 113.62 110.24 3hr8 n SER 207 Ca -0.18 -1.23 -0.39 0.00 -0.26 0.00 0.00 58.87 56.80 3hr8 n SER 207 Cb 0.54 -0.27 0.03 0.00 -0.26 0.00 0.00 64.21 64.24 3hr8 n SER 207 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 3hr8 n PRO 208 N -1.76 1.81 0.11 4.33 -0.04 -1.26 -4.86 135.00 133.33 3hr8 n PRO 208 Ca 0.05 0.66 -0.12 0.00 -0.04 0.00 0.00 63.50 64.04 3hr8 n PRO 208 Cb 0.18 -2.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.08 3hr8 n PRO 208 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3hr8 h GLU 209 N 1.72 -0.33 -6.78 0.54 3.07 -1.93 -3.38 114.58 107.49 3hr8 h GLU 209 Ca -0.50 0.02 -0.51 0.00 -0.50 0.00 0.00 59.36 57.87 3hr8 h GLU 209 Cb 1.30 0.08 0.03 0.00 -0.84 0.00 0.00 28.75 29.31 3hr8 h GLU 209 CO 0.58 -0.22 0.54 0.99 -1.40 0.00 0.00 179.01 179.50 3hr8 s THR 210 N -6.12 3.32 0.75 1.13 2.01 -1.25 -4.65 115.64 110.83 3hr8 s THR 210 Ca -0.15 1.25 -0.11 0.00 0.31 0.00 0.00 61.69 62.99 3hr8 s THR 210 Cb 0.07 -3.79 0.04 0.00 0.01 0.00 0.00 72.50 68.83 3hr8 s THR 210 CO 0.65 0.26 1.08 0.42 -0.69 0.00 0.00 174.62 176.35 3hr8 s THR 211 N -0.78 3.52 0.34 -0.82 -4.23 -1.26 -4.78 115.64 107.63 3hr8 s THR 211 Ca 0.48 0.49 0.02 0.00 -1.18 0.00 0.00 61.69 61.51 3hr8 s THR 211 Cb -0.34 -3.20 0.27 0.00 1.34 0.00 0.00 72.50 70.57 3hr8 s THR 211 CO 0.42 -0.64 1.99 0.00 -0.54 0.00 0.00 174.62 175.85 3hr8 h THR 212 N -0.94 1.14 0.00 3.99 1.03 -1.94 21.45 112.91 137.63 3hr8 h THR 212 Ca -0.45 -0.31 -0.01 0.00 -0.01 0.00 0.00 66.41 65.63 3hr8 h THR 212 Cb 1.24 0.16 -0.00 0.00 -1.07 0.00 0.00 68.15 68.48 3hr8 h THR 212 CO 0.57 0.16 -0.03 1.23 -0.01 0.00 0.00 175.52 177.45 3hr8 h GLY 213 N 0.90 0.00 1.92 2.99 0.00 -1.93 -2.50 103.07 104.46 3hr8 h GLY 213 Ca 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.56 3hr8 h GLY 213 CO -0.07 0.00 -0.11 -1.33 0.00 0.00 0.00 176.54 175.03 3hr8 h GLY 214 N 0.14 0.11 0.84 4.60 0.00 5.00 -2.23 103.07 111.54 3hr8 h GLY 214 Ca -0.00 -0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.28 3hr8 h GLY 214 CO 0.00 0.05 -0.10 -2.00 0.00 0.00 0.00 176.54 174.50 3hr8 h LEU 215 N 0.10 -0.26 -1.15 3.11 5.85 -1.07 2.02 115.31 123.90 3hr8 h LEU 215 Ca 0.02 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.84 3hr8 h LEU 215 Cb 0.27 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.34 3hr8 h LEU 215 CO 0.02 -0.15 0.59 0.00 -0.34 0.00 0.00 178.44 178.56 3hr8 h ALA 216 N 0.72 1.53 0.06 1.25 0.00 -1.67 -1.75 119.26 119.40 3hr8 h ALA 216 Ca 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hr8 h ALA 216 Cb 0.21 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3hr8 h ALA 216 CO -0.05 0.34 -0.03 1.25 0.00 0.00 0.00 179.25 180.76 3hr8 h LEU 217 N 1.01 -0.07 -0.96 0.00 5.85 -0.40 0.85 115.31 121.58 3hr8 h LEU 217 Ca 0.39 -0.17 0.28 0.00 0.84 0.00 0.00 57.88 59.22 3hr8 h LEU 217 Cb 0.22 0.02 -0.14 0.00 0.37 0.00 0.00 40.66 41.12 3hr8 h LEU 217 CO -0.15 0.13 0.46 0.50 -0.34 0.00 0.00 178.44 179.04 3hr8 h LYS 218 N -0.27 0.32 0.00 1.25 3.64 0.39 0.12 116.57 122.02 3hr8 h LYS 218 Ca -0.01 -0.02 -0.21 0.00 -1.27 0.00 0.00 60.65 59.14 3hr8 h LYS 218 Cb 0.24 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 3hr8 h LYS 218 CO 0.01 0.21 -1.75 1.19 -2.27 0.00 0.00 179.45 176.84 3hr8 n PHE 219 N -5.08 0.64 0.10 1.91 3.72 -0.72 -4.15 117.46 113.88 3hr8 n PHE 219 Ca 0.27 0.22 -0.05 0.00 -0.05 0.00 0.00 57.45 57.84 3hr8 n PHE 219 Cb 0.84 -1.01 0.03 0.00 -0.94 0.00 0.00 39.48 38.40 3hr8 n PHE 219 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 176.76 178.59 3hr8 h TYR 220 N 0.00 0.06 -3.65 1.38 0.05 0.15 -3.46 116.97 111.50 3hr8 h TYR 220 Ca -0.25 -0.03 -0.53 0.00 0.05 0.00 0.00 58.73 57.97 3hr8 h TYR 220 Cb 1.73 -0.01 0.07 0.00 1.01 0.00 0.00 36.73 39.53 3hr8 h TYR 220 CO 0.00 0.82 0.71 0.00 -1.05 0.00 0.00 178.16 178.64 3hr8 s ALA 221 N -3.21 3.57 0.05 3.88 0.00 0.34 -4.68 121.76 121.70 3hr8 s ALA 221 Ca -0.01 1.33 0.04 0.00 0.00 0.00 0.00 51.96 53.32 3hr8 s ALA 221 Cb 0.11 -3.53 -0.24 0.00 0.00 0.00 0.00 23.12 19.46 3hr8 s ALA 221 CO 0.80 -0.74 1.02 1.15 0.00 0.00 0.00 175.76 177.99 3hr8 h THR 222 N 3.27 1.35 -3.99 0.00 2.02 -1.16 -3.46 112.91 110.94 3hr8 h THR 222 Ca -0.48 -3.06 -0.36 0.00 0.77 0.00 0.00 66.41 63.28 3hr8 h THR 222 Cb 1.22 2.74 -0.25 0.00 -1.74 0.00 0.00 68.15 70.13 3hr8 h THR 222 CO 0.71 0.82 -0.77 -0.04 0.37 0.00 0.00 175.52 176.62 3hr8 s MET 223 N -2.65 0.69 -0.04 6.66 -1.94 -1.21 -1.08 119.30 119.73 3hr8 s MET 223 Ca -0.04 -0.59 0.03 0.00 -1.71 0.00 0.00 55.69 53.38 3hr8 s MET 223 Cb 0.08 -0.62 0.00 0.00 2.01 0.00 0.00 34.83 36.31 3hr8 s MET 223 CO 0.84 0.15 -0.11 1.03 -0.01 0.00 0.00 175.02 176.92 3hr8 s ARG 224 N -0.95 1.24 -0.09 2.03 0.52 -0.34 -1.17 118.95 120.20 3hr8 s ARG 224 Ca -0.01 -0.37 0.01 0.00 -0.52 0.00 0.00 55.73 54.84 3hr8 s ARG 224 Cb -0.07 -1.11 0.02 0.00 0.52 0.00 0.00 34.95 34.31 3hr8 s ARG 224 CO 0.01 0.11 -0.11 -1.64 0.02 0.00 0.00 175.30 173.69 3hr8 s MET 225 N 0.29 1.67 -0.26 3.54 -1.94 0.24 -1.24 119.30 121.60 3hr8 s MET 225 Ca -0.06 -0.36 -0.10 0.00 -1.71 0.00 0.00 55.69 53.46 3hr8 s MET 225 Cb -0.11 -1.51 -0.04 0.00 2.01 0.00 0.00 34.83 35.18 3hr8 s MET 225 CO 0.01 -0.10 0.15 -2.00 -0.01 0.00 0.00 175.02 173.07 3hr8 s GLU 226 N 1.09 3.87 -0.16 2.03 2.12 0.28 -0.89 118.70 127.03 3hr8 s GLU 226 Ca -0.06 -0.37 -0.06 0.00 0.36 0.00 0.00 54.97 54.84 3hr8 s GLU 226 Cb -0.14 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.68 3hr8 s GLU 226 CO -0.01 -0.15 0.05 0.08 -0.54 0.00 0.00 175.26 174.68 3hr8 s VAL 227 N 1.61 4.67 -0.04 3.70 1.01 0.08 -0.98 120.40 130.45 3hr8 s VAL 227 Ca 0.07 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.98 3hr8 s VAL 227 Cb -0.15 -3.07 0.01 0.00 0.00 0.00 0.00 36.38 33.17 3hr8 s VAL 227 CO 0.08 0.50 -0.10 -0.13 0.00 0.00 0.00 175.10 175.46 3hr8 s ARG 228 N 0.03 1.16 0.15 2.72 0.52 -0.47 -4.26 118.95 118.81 3hr8 s ARG 228 Ca 0.05 -0.32 -0.30 0.00 -0.52 0.00 0.00 55.73 54.64 3hr8 s ARG 228 Cb -0.12 -1.05 -0.08 0.00 0.52 0.00 0.00 34.95 34.22 3hr8 s ARG 228 CO 0.01 0.07 1.23 0.50 0.02 0.00 0.00 175.30 177.14 3hr8 s ARG 229 N 0.40 4.45 0.00 3.54 3.52 -1.20 -1.37 118.95 128.28 3hr8 s ARG 229 Ca -0.07 1.89 0.00 0.00 -0.13 0.00 0.00 55.73 57.42 3hr8 s ARG 229 Cb -0.11 -3.26 0.00 0.00 -1.56 0.00 0.00 34.95 30.02 3hr8 s ARG 229 CO 0.01 -0.18 0.00 0.41 -0.81 0.00 0.00 175.30 174.73 3hr8 n GLY 230 N 2.57 4.00 3.76 8.12 0.00 0.16 -4.91 105.19 118.89 3hr8 n GLY 230 Ca 0.06 -1.90 -0.36 0.00 0.00 0.00 0.00 46.02 43.82 3hr8 n GLY 230 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hr8 s GLU 231 N 2.66 3.34 0.68 1.61 0.41 -1.26 -4.43 118.70 121.72 3hr8 s GLU 231 Ca 0.00 1.81 -0.16 0.00 -0.41 0.00 0.00 54.97 56.21 3hr8 s GLU 231 Cb 0.00 -2.14 0.01 0.00 -1.78 0.00 0.00 34.13 30.22 3hr8 s GLU 231 CO 0.00 -0.90 1.22 -2.14 -0.49 0.00 0.00 175.26 172.94 3hr8 s PRO 232 N -3.06 2.43 -0.15 0.39 0.02 -1.26 -0.76 135.00 132.61 3hr8 s PRO 232 Ca 0.71 1.81 -0.02 0.00 0.02 0.00 0.00 61.00 63.53 3hr8 s PRO 232 Cb -0.30 -1.86 -0.02 0.00 0.02 0.00 0.00 34.50 32.35 3hr8 s PRO 232 CO 0.34 -1.62 -0.09 0.42 -0.33 0.00 0.00 177.00 175.72 3hr8 s ILE 233 N -1.80 3.36 -0.03 2.83 1.01 0.69 -4.77 121.20 122.48 3hr8 s ILE 233 Ca 0.76 -0.54 0.06 0.00 0.00 0.00 0.00 60.65 60.93 3hr8 s ILE 233 Cb -0.31 -2.45 -0.01 0.00 0.01 0.00 0.00 42.46 39.70 3hr8 s ILE 233 CO 0.41 0.50 -0.22 -1.59 0.00 0.00 0.00 174.94 174.04 3hr8 s LYS 234 N 0.57 2.00 -0.50 2.79 -2.85 -1.26 0.43 119.74 120.92 3hr8 s LYS 234 Ca -0.06 -0.79 -0.09 0.00 -1.00 0.00 0.00 55.97 54.03 3hr8 s LYS 234 Cb -0.15 -1.82 0.13 0.00 -2.06 0.00 0.00 37.83 33.93 3hr8 s LYS 234 CO 0.03 0.41 0.38 -2.00 0.10 0.00 0.00 175.35 174.27 3hr8 s GLU 235 N -0.32 2.54 5.57 1.78 2.12 0.94 -4.90 118.70 126.43 3hr8 s GLU 235 Ca 0.03 -1.87 0.00 0.00 0.36 0.00 0.00 54.97 53.49 3hr8 s GLU 235 Cb -0.11 -3.94 0.00 0.00 0.26 0.00 0.00 34.13 30.35 3hr8 s GLU 235 CO 0.01 -1.20 0.00 0.41 -0.54 0.00 0.00 175.26 173.94 3hr8 n GLY 236 N 4.74 1.60 0.05 -1.50 0.00 -1.26 -2.59 105.19 106.22 3hr8 n GLY 236 Ca -0.05 -0.06 0.03 0.00 0.00 0.00 0.00 46.02 45.93 3hr8 n GLY 236 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hr8 n LYS 237 N 0.00 2.01 -3.73 1.61 5.02 -1.26 -4.98 118.16 116.82 3hr8 n LYS 237 Ca 0.00 -1.66 -0.36 0.00 -2.02 0.00 0.00 58.31 54.26 3hr8 n LYS 237 Cb 0.00 -1.06 -0.07 0.00 -0.02 0.00 0.00 35.03 33.88 3hr8 n LYS 237 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hr8 s ASP 238 N -1.42 6.37 -0.14 4.39 1.01 -1.07 -5.08 116.67 120.74 3hr8 s ASP 238 Ca 0.09 0.44 -0.27 0.00 0.71 0.00 0.00 52.55 53.52 3hr8 s ASP 238 Cb 0.08 -2.11 -0.01 0.00 1.01 0.00 0.00 42.92 41.88 3hr8 s ASP 238 CO 0.01 0.26 0.91 0.68 0.21 0.00 0.00 175.17 177.24 3hr8 s VAL 239 N -0.26 4.84 -1.04 -1.27 -7.23 -1.26 -0.04 120.40 114.14 3hr8 s VAL 239 Ca 0.14 1.81 0.10 0.00 -1.81 0.00 0.00 61.98 62.22 3hr8 s VAL 239 Cb -0.12 -4.21 0.03 0.00 0.56 0.00 0.00 36.38 32.63 3hr8 s VAL 239 CO 0.03 0.03 0.70 2.30 -0.31 0.00 0.00 175.10 177.85 3hr8 n ILE 240 N 4.60 0.00 -3.05 -0.62 -5.35 0.17 -4.93 119.36 110.18 3hr8 n ILE 240 Ca 0.06 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 62.10 3hr8 n ILE 240 Cb 0.49 1.15 0.00 0.00 -1.74 0.00 0.00 39.64 39.54 3hr8 n ILE 240 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hr8 n GLY 241 N 0.75 -0.55 3.26 3.28 0.00 -1.15 -0.59 105.19 110.20 3hr8 n GLY 241 Ca 0.05 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 45.24 3hr8 n GLY 241 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hr8 s ASN 242 N -4.00 -0.10 0.49 1.61 4.22 -0.63 -0.22 114.94 116.31 3hr8 s ASN 242 Ca 0.00 -0.33 -0.20 0.00 -2.14 0.00 0.00 52.86 50.19 3hr8 s ASN 242 Cb 0.00 0.39 -0.08 0.00 1.28 0.00 0.00 41.25 42.84 3hr8 s ASN 242 CO 0.00 -0.72 1.04 -0.69 -2.04 0.00 0.00 177.10 174.69 3hr8 s VAL 243 N -3.25 3.83 0.13 3.54 1.01 0.06 -1.36 120.40 124.37 3hr8 s VAL 243 Ca -0.00 1.11 0.05 0.00 0.00 0.00 0.00 61.98 63.14 3hr8 s VAL 243 Cb 0.01 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 3hr8 s VAL 243 CO -0.08 -0.27 -0.12 0.27 0.00 0.00 0.00 175.10 174.90 3hr8 s ILE 244 N -2.03 1.25 0.09 2.22 -4.36 -0.27 0.37 121.20 118.47 3hr8 s ILE 244 Ca 0.67 -1.87 0.10 0.00 -0.26 0.00 0.00 60.65 59.28 3hr8 s ILE 244 Cb -0.16 -1.66 -0.03 0.00 1.25 0.00 0.00 42.46 41.86 3hr8 s ILE 244 CO 0.21 -0.57 -0.26 -0.94 0.24 0.00 0.00 174.94 173.61 3hr8 s SER 245 N -2.78 3.28 -0.25 4.36 1.04 -0.47 -1.66 113.70 117.21 3hr8 s SER 245 Ca 0.12 -0.66 -0.02 0.00 0.48 0.00 0.00 55.95 55.88 3hr8 s SER 245 Cb -0.02 -0.28 0.08 0.00 0.10 0.00 0.00 66.02 65.91 3hr8 s SER 245 CO 0.02 0.22 0.06 -0.69 0.98 0.00 0.00 173.24 173.83 3hr8 s VAL 246 N -0.94 0.76 -0.26 5.02 1.01 0.08 -1.37 120.40 124.71 3hr8 s VAL 246 Ca 0.13 -1.00 -0.15 0.00 0.00 0.00 0.00 61.98 60.97 3hr8 s VAL 246 Cb -0.10 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 3hr8 s VAL 246 CO 0.04 -0.42 0.36 -0.75 0.00 0.00 0.00 175.10 174.34 3hr8 s LYS 247 N 1.72 4.05 -0.86 2.72 2.20 -0.15 -0.75 119.74 128.66 3hr8 s LYS 247 Ca 0.03 0.04 -0.22 0.00 -0.36 0.00 0.00 55.97 55.47 3hr8 s LYS 247 Cb -0.17 -3.63 0.08 0.00 -1.51 0.00 0.00 37.83 32.60 3hr8 s LYS 247 CO -0.16 -0.21 1.21 0.42 -0.36 0.00 0.00 175.35 176.25 3hr8 s ILE 248 N 1.87 4.23 -0.39 5.43 -1.09 -0.04 -0.56 121.20 130.64 3hr8 s ILE 248 Ca 0.15 -0.73 0.23 0.00 -2.23 0.00 0.00 60.65 58.07 3hr8 s ILE 248 Cb -0.15 -4.87 0.33 0.00 -1.58 0.00 0.00 42.46 36.19 3hr8 s ILE 248 CO 0.09 -1.69 1.63 -0.37 -1.23 0.00 0.00 174.94 173.37 3hr8 h VAL 249 N 6.19 0.04 -3.61 2.92 -1.51 -1.48 0.37 116.25 119.18 3hr8 h VAL 249 Ca -0.00 -1.03 -0.32 0.00 -1.23 0.00 0.00 66.70 64.13 3hr8 h VAL 249 Cb 1.03 1.99 -0.32 0.00 -2.13 0.00 0.00 31.29 31.86 3hr8 h VAL 249 CO 1.25 0.02 -0.74 -0.75 -1.23 0.00 0.00 177.57 176.12 3hr8 s LYS 250 N -3.23 0.25 -0.23 5.19 2.20 -1.14 -4.64 119.74 118.14 3hr8 s LYS 250 Ca 0.06 0.03 -0.04 0.00 -0.36 0.00 0.00 55.97 55.66 3hr8 s LYS 250 Cb 0.05 -0.37 0.12 0.00 -1.51 0.00 0.00 37.83 36.12 3hr8 s LYS 250 CO 0.67 -0.07 0.37 1.21 -0.36 0.00 0.00 175.35 177.17 3hr8 s ASN 251 N 0.66 0.19 0.00 1.43 3.84 -1.25 -1.20 114.94 118.61 3hr8 s ASN 251 Ca -0.06 0.38 0.22 0.00 0.21 0.00 0.00 52.86 53.61 3hr8 s ASN 251 Cb -0.09 1.11 0.51 0.00 -0.55 0.00 0.00 41.25 42.23 3hr8 s ASN 251 CO -0.01 -0.28 1.44 0.29 -2.79 0.00 0.00 177.10 175.74 3hr8 n LYS 252 N 5.37 2.29 0.00 0.43 4.76 -0.24 -4.25 118.16 126.52 3hr8 n LYS 252 Ca -0.05 -1.95 0.00 0.00 -2.87 0.00 0.00 58.31 53.44 3hr8 n LYS 252 Cb 0.50 -1.48 -0.00 0.00 -1.84 0.00 0.00 35.03 32.21 3hr8 n LYS 252 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 3hr8 n VAL 253 N 1.16 0.00 -3.75 -0.18 0.24 -1.26 -4.05 118.33 110.49 3hr8 n VAL 253 Ca 0.18 -0.49 -0.08 0.00 -2.04 0.00 0.00 64.34 61.91 3hr8 n VAL 253 Cb 0.53 1.01 -0.02 0.00 -1.47 0.00 0.00 33.84 33.88 3hr8 n VAL 253 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hr8 s ALA 254 N -0.53 -1.29 0.25 2.33 0.00 -1.26 -4.88 121.76 116.38 3hr8 s ALA 254 Ca 0.01 -0.12 -0.31 0.00 0.00 0.00 0.00 51.96 51.53 3hr8 s ALA 254 Cb 0.01 0.86 -0.12 0.00 0.00 0.00 0.00 23.12 23.87 3hr8 s ALA 254 CO 0.02 -0.96 1.62 -2.30 0.00 0.00 0.00 175.76 174.14 3hr8 n PRO 255 N -0.43 2.63 -1.48 0.00 -0.02 -1.26 -4.63 135.00 129.81 3hr8 n PRO 255 Ca -0.07 0.94 -0.24 0.00 -2.02 0.00 0.00 63.50 62.10 3hr8 n PRO 255 Cb 0.61 -2.73 0.18 0.00 -0.02 0.00 0.00 33.50 31.53 3hr8 n PRO 255 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3hr8 n PRO 256 N 2.84 -1.31 -1.23 0.52 -0.04 -1.26 -4.54 135.00 129.98 3hr8 n PRO 256 Ca 0.12 -1.67 -0.08 0.00 -0.04 0.00 0.00 63.50 61.83 3hr8 n PRO 256 Cb 0.35 -1.17 -0.03 0.00 -0.04 0.00 0.00 33.50 32.61 3hr8 n PRO 256 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3hr8 n PHE 257 N -3.65 0.00 -3.07 0.54 3.72 0.13 -5.02 117.46 110.11 3hr8 n PHE 257 Ca 0.14 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.18 3hr8 n PHE 257 Cb 0.48 -1.64 -0.06 0.00 -0.94 0.00 0.00 39.48 37.32 3hr8 n PHE 257 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3hr8 s LYS 258 N -2.58 4.24 -0.14 -1.08 1.02 -1.25 -4.85 119.74 115.08 3hr8 s LYS 258 Ca 0.00 0.88 0.02 0.00 0.02 0.00 0.00 55.97 56.89 3hr8 s LYS 258 Cb 0.00 -2.77 0.01 0.00 -0.52 0.00 0.00 37.83 34.55 3hr8 s LYS 258 CO 0.00 0.33 -0.21 0.99 -0.92 0.00 0.00 175.35 175.54 3hr8 s THR 259 N -1.64 2.13 -0.03 2.17 2.01 -1.26 -0.86 115.64 118.16 3hr8 s THR 259 Ca 0.46 -0.95 -0.10 0.00 0.31 0.00 0.00 61.69 61.41 3hr8 s THR 259 Cb -0.15 -1.86 -0.05 0.00 0.01 0.00 0.00 72.50 70.45 3hr8 s THR 259 CO 0.20 0.54 0.28 0.00 -0.69 0.00 0.00 174.62 174.96 3hr8 s ALA 260 N 0.85 3.80 -0.16 7.40 0.00 0.07 -4.91 121.76 128.82 3hr8 s ALA 260 Ca -0.06 -0.46 -0.04 0.00 0.00 0.00 0.00 51.96 51.40 3hr8 s ALA 260 Cb -0.15 -2.16 -0.03 0.00 0.00 0.00 0.00 23.12 20.79 3hr8 s ALA 260 CO -0.03 0.58 -0.04 -0.65 0.00 0.00 0.00 175.76 175.62 3hr8 s GLN 261 N -1.28 3.65 0.10 0.00 -1.52 -1.26 -0.74 119.66 118.61 3hr8 s GLN 261 Ca 0.22 -0.53 0.01 0.00 -1.95 0.00 0.00 55.36 53.11 3hr8 s GLN 261 Cb -0.14 -2.90 -0.00 0.00 -0.22 0.00 0.00 33.01 29.74 3hr8 s GLN 261 CO 0.11 0.23 0.11 -2.37 -0.25 0.00 0.00 175.29 173.12 3hr8 n THR 262 N 3.57 0.00 -3.78 -0.19 5.66 -0.66 -4.83 114.28 114.04 3hr8 n THR 262 Ca -0.17 -0.58 -0.17 0.00 -3.05 0.00 0.00 64.05 60.08 3hr8 n THR 262 Cb 0.52 0.32 -0.17 0.00 -1.55 0.00 0.00 70.33 69.46 3hr8 n THR 262 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 3hr8 s TYR 263 N -3.54 0.15 -0.25 1.09 2.02 -1.26 -1.11 117.35 114.44 3hr8 s TYR 263 Ca 0.09 0.11 -0.10 0.00 -0.37 0.00 0.00 57.07 56.81 3hr8 s TYR 263 Cb 0.00 -0.38 -0.04 0.00 -0.40 0.00 0.00 41.96 41.14 3hr8 s TYR 263 CO 0.07 -0.14 0.14 0.42 -1.57 0.00 0.00 175.55 174.46 3hr8 s ILE 264 N 1.41 5.00 -0.23 2.71 1.01 -0.46 -4.05 121.20 126.59 3hr8 s ILE 264 Ca -0.05 0.06 -0.13 0.00 0.00 0.00 0.00 60.65 60.53 3hr8 s ILE 264 Cb -0.13 -3.35 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 3hr8 s ILE 264 CO -0.03 0.31 0.27 -0.63 0.00 0.00 0.00 174.94 174.86 3hr8 s ILE 265 N 1.44 5.28 0.26 2.92 -1.09 0.63 -1.60 121.20 129.05 3hr8 s ILE 265 Ca 0.06 0.40 -0.31 0.00 -2.23 0.00 0.00 60.65 58.58 3hr8 s ILE 265 Cb -0.15 -3.60 -0.12 0.00 -1.58 0.00 0.00 42.46 37.01 3hr8 s ILE 265 CO 0.07 0.29 1.60 -1.22 -1.23 0.00 0.00 174.94 174.45 3hr8 n TYR 266 N 4.50 2.74 0.00 3.97 0.53 0.25 -0.87 117.16 128.27 3hr8 n TYR 266 Ca -0.12 0.23 0.00 0.00 -1.02 0.00 0.00 57.90 56.99 3hr8 n TYR 266 Cb 0.52 -2.60 0.00 0.00 -1.03 0.00 0.00 39.34 36.23 3hr8 n TYR 266 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3hr8 n GLY 267 N 2.62 2.63 0.00 2.72 0.00 -1.26 -4.78 105.19 107.11 3hr8 n GLY 267 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3hr8 n GLY 267 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hr8 n LYS 268 N -2.00 2.99 0.00 1.61 5.02 -0.05 -4.63 118.16 121.10 3hr8 n LYS 268 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3hr8 n LYS 268 Cb 0.00 -0.96 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 3hr8 n LYS 268 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hr8 n GLY 269 N 2.70 -0.04 3.54 0.72 0.00 -0.51 -4.01 105.19 107.59 3hr8 n GLY 269 Ca 0.00 -1.51 -0.43 0.00 0.00 0.00 0.00 46.02 44.09 3hr8 n GLY 269 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hr8 s ILE 270 N 0.00 4.26 -0.12 -0.61 1.01 -1.26 -0.27 121.20 124.22 3hr8 s ILE 270 Ca 0.00 -1.53 -0.32 0.00 0.00 0.00 0.00 60.65 58.80 3hr8 s ILE 270 Cb 0.00 -5.04 -0.09 0.00 0.01 0.00 0.00 42.46 37.33 3hr8 s ILE 270 CO 0.00 -1.86 2.02 -0.67 0.00 0.00 0.00 174.94 174.43 3hr8 n ASP 271 N 7.92 3.45 -0.30 3.58 -0.08 -1.26 -4.84 116.55 125.02 3hr8 n ASP 271 Ca 0.38 0.71 -0.02 0.00 -1.51 0.00 0.00 54.79 54.34 3hr8 n ASP 271 Cb 0.48 -1.44 0.10 0.00 2.34 0.00 0.00 41.12 42.59 3hr8 n ASP 271 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 3hr8 h ARG 272 N 11.34 1.02 -0.01 -0.67 1.12 -1.92 -1.36 114.38 123.90 3hr8 h ARG 272 Ca -0.45 -0.06 -0.20 0.00 -1.11 0.00 0.00 59.98 58.16 3hr8 h ARG 272 Cb 1.26 -0.23 -0.01 0.00 -0.01 0.00 0.00 29.97 30.99 3hr8 h ARG 272 CO 0.96 0.67 -0.87 0.93 -3.11 0.00 0.00 179.97 178.55 3hr8 h GLU 273 N 1.05 0.27 -0.35 0.20 3.07 -1.92 -0.51 114.58 116.39 3hr8 h GLU 273 Ca 0.32 -0.28 -0.03 0.00 -0.50 0.00 0.00 59.36 58.88 3hr8 h GLU 273 Cb -0.02 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 3hr8 h GLU 273 CO -0.10 0.98 0.11 -0.92 -1.40 0.00 0.00 179.01 177.68 3hr8 h TYR 274 N 0.15 0.56 -0.50 4.33 5.03 -1.80 -1.35 116.97 123.40 3hr8 h TYR 274 Ca -0.05 -0.05 -0.06 0.00 2.58 0.00 0.00 58.73 61.14 3hr8 h TYR 274 Cb 1.49 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 39.59 3hr8 h TYR 274 CO 0.04 0.54 0.07 1.49 -1.32 0.00 0.00 178.16 178.98 3hr8 h GLU 275 N 0.41 0.83 -0.42 1.82 4.81 -1.19 -2.64 114.58 118.20 3hr8 h GLU 275 Ca 0.11 -0.23 0.01 0.00 -0.13 0.00 0.00 59.36 59.13 3hr8 h GLU 275 Cb 0.24 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 3hr8 h GLU 275 CO -0.00 0.83 0.26 1.25 -0.73 0.00 0.00 179.01 180.62 3hr8 h LEU 276 N 0.71 0.43 0.02 1.64 5.85 -0.94 0.11 115.31 123.12 3hr8 h LEU 276 Ca 0.15 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.89 3hr8 h LEU 276 Cb 0.41 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 3hr8 h LEU 276 CO 0.01 0.31 -0.12 0.15 -0.34 0.00 0.00 178.44 178.45 3hr8 h PHE 277 N 0.52 -0.31 -0.66 1.25 3.04 -1.18 0.14 116.94 119.74 3hr8 h PHE 277 Ca 0.17 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.12 3hr8 h PHE 277 Cb -0.01 0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.61 3hr8 h PHE 277 CO -0.06 -0.19 0.39 -0.91 -2.02 0.00 0.00 178.31 175.53 3hr8 h ASN 278 N -0.22 0.80 -0.13 0.41 2.35 -1.18 -0.72 115.58 116.89 3hr8 h ASN 278 Ca 0.04 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 3hr8 h ASN 278 Cb 0.26 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.43 3hr8 h ASN 278 CO -0.11 0.63 0.01 0.40 -1.65 0.00 0.00 177.43 176.71 3hr8 h ILE 279 N 0.90 1.24 -0.98 2.81 2.04 -0.82 -0.66 117.51 122.04 3hr8 h ILE 279 Ca 0.24 -0.77 0.13 0.00 1.00 0.00 0.00 64.86 65.45 3hr8 h ILE 279 Cb -0.02 1.51 -0.09 0.00 -0.74 0.00 0.00 36.82 37.49 3hr8 h ILE 279 CO -0.04 0.22 0.60 0.00 0.00 0.00 0.00 178.15 178.93 3hr8 h ALA 280 N 0.77 1.48 -0.22 1.87 0.00 -0.47 0.28 119.26 122.96 3hr8 h ALA 280 Ca 0.04 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3hr8 h ALA 280 Cb 0.34 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3hr8 h ALA 280 CO 0.00 0.17 -0.29 0.28 0.00 0.00 0.00 179.25 179.41 3hr8 h VAL 281 N 0.93 1.32 -0.66 0.00 2.07 -0.99 0.92 116.25 119.85 3hr8 h VAL 281 Ca 0.49 -1.49 -0.02 0.00 0.82 0.00 0.00 66.70 66.51 3hr8 h VAL 281 Cb 0.53 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 3hr8 h VAL 281 CO -0.28 0.46 0.34 0.78 0.02 0.00 0.00 177.57 178.89 3hr8 h ASN 282 N 0.28 0.83 -0.00 0.57 2.35 -0.25 -2.48 115.58 116.88 3hr8 h ASN 282 Ca 0.03 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3hr8 h ASN 282 Cb 0.87 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.03 3hr8 h ASN 282 CO 0.07 0.69 0.00 -0.62 -1.65 0.00 0.00 177.43 175.92 3hr8 n GLU 283 N -4.36 1.10 -1.25 0.81 -0.58 0.89 -4.89 120.64 112.37 3hr8 n GLU 283 Ca 0.06 -0.14 -0.09 0.00 -0.42 0.00 0.00 57.16 56.58 3hr8 n GLU 283 Cb 0.12 -1.48 -0.04 0.00 -0.57 0.00 0.00 31.44 29.47 3hr8 n GLU 283 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hr8 n GLY 284 N 1.01 1.00 0.10 0.62 0.00 -0.93 -4.89 105.19 102.10 3hr8 n GLY 284 Ca 0.23 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 3hr8 n GLY 284 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hr8 h ILE 285 N 0.00 1.01 -3.36 -0.61 2.04 -1.08 -3.43 117.51 112.08 3hr8 h ILE 285 Ca -0.17 -2.73 -0.65 0.00 1.00 0.00 0.00 64.86 62.30 3hr8 h ILE 285 Cb 0.70 2.62 -0.20 0.00 -0.74 0.00 0.00 36.82 39.20 3hr8 h ILE 285 CO 0.26 0.75 -0.66 -0.69 0.00 0.00 0.00 178.15 177.80 3hr8 s VAL 286 N -2.61 3.93 0.36 1.67 1.01 -0.87 -4.63 120.40 119.27 3hr8 s VAL 286 Ca -0.09 -0.36 0.08 0.00 0.00 0.00 0.00 61.98 61.61 3hr8 s VAL 286 Cb 0.07 -2.70 -0.06 0.00 0.00 0.00 0.00 36.38 33.69 3hr8 s VAL 286 CO 0.83 0.52 0.01 1.51 0.00 0.00 0.00 175.10 177.97 3hr8 s ASP 287 N 0.03 4.05 -0.16 3.32 -4.77 -0.38 -4.21 116.67 114.54 3hr8 s ASP 287 Ca 0.00 -1.13 0.00 0.00 -3.30 0.00 0.00 52.55 48.13 3hr8 s ASP 287 Cb -0.13 -0.45 -0.00 0.00 -1.09 0.00 0.00 42.92 41.24 3hr8 s ASP 287 CO 0.03 -0.31 -0.15 -0.60 0.70 0.00 0.00 175.17 174.84 3hr8 s ARG 288 N -3.71 3.21 -0.44 2.11 3.52 -1.26 -0.36 118.95 122.02 3hr8 s ARG 288 Ca 0.35 -0.75 -0.02 0.00 -0.13 0.00 0.00 55.73 55.19 3hr8 s ARG 288 Cb 0.03 -2.65 0.12 0.00 -1.56 0.00 0.00 34.95 30.89 3hr8 s ARG 288 CO 0.19 -0.01 0.22 0.15 -0.81 0.00 0.00 175.30 175.04 3hr8 s LYS 289 N 0.88 2.02 7.90 5.12 1.02 0.15 -4.95 119.74 131.89 3hr8 s LYS 289 Ca -0.04 -1.97 0.00 0.00 0.02 0.00 0.00 55.97 53.98 3hr8 s LYS 289 Cb -0.15 -3.55 0.00 0.00 -0.52 0.00 0.00 37.83 33.61 3hr8 s LYS 289 CO -0.01 -1.07 0.00 0.41 -0.92 0.00 0.00 175.35 173.75 3hr8 n GLY 290 N 4.32 3.75 0.61 -3.33 0.00 -1.26 -1.95 105.19 107.34 3hr8 n GLY 290 Ca 0.00 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.12 3hr8 n GLY 290 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hr8 n SER 291 N 7.80 1.86 -4.64 1.61 2.88 -1.26 -4.93 113.62 116.94 3hr8 n SER 291 Ca 0.00 -1.68 -0.34 0.00 -1.33 0.00 0.00 58.87 55.52 3hr8 n SER 291 Cb 0.00 -0.07 -0.10 0.00 -0.75 0.00 0.00 64.21 63.29 3hr8 n SER 291 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 3hr8 s TRP 292 N -1.86 3.04 -0.05 0.66 0.52 -0.82 -0.66 118.94 119.77 3hr8 s TRP 292 Ca 0.35 0.08 0.02 0.00 0.02 0.00 0.00 56.10 56.57 3hr8 s TRP 292 Cb 0.19 -1.71 -0.03 0.00 -1.15 0.00 0.00 33.47 30.77 3hr8 s TRP 292 CO 0.30 0.41 -0.08 0.71 0.02 0.00 0.00 176.95 178.31 3hr8 s TYR 293 N -0.92 2.90 0.06 -1.98 2.02 -0.46 0.34 117.35 119.31 3hr8 s TYR 293 Ca 0.15 -0.01 0.02 0.00 -0.37 0.00 0.00 57.07 56.86 3hr8 s TYR 293 Cb -0.11 -1.68 -0.03 0.00 -0.40 0.00 0.00 41.96 39.74 3hr8 s TYR 293 CO 0.05 0.32 -0.08 0.71 -1.57 0.00 0.00 175.55 174.98 3hr8 s TYR 294 N -0.84 0.77 0.00 2.71 2.02 0.51 -0.12 117.35 122.40 3hr8 s TYR 294 Ca 0.13 -0.63 0.01 0.00 -0.37 0.00 0.00 57.07 56.21 3hr8 s TYR 294 Cb -0.11 -0.45 -0.01 0.00 -0.40 0.00 0.00 41.96 40.99 3hr8 s TYR 294 CO 0.03 -0.10 -0.05 -0.47 -1.57 0.00 0.00 175.55 173.39 3hr8 s TYR 295 N -2.11 0.40 -0.26 2.71 5.04 -0.27 -1.25 117.35 121.61 3hr8 s TYR 295 Ca -0.02 -0.11 -0.07 0.00 -2.44 0.00 0.00 57.07 54.42 3hr8 s TYR 295 Cb -0.05 -0.26 -0.02 0.00 0.35 0.00 0.00 41.96 41.98 3hr8 s TYR 295 CO -0.01 -0.02 0.07 0.99 -1.34 0.00 0.00 175.55 175.24 3hr8 s THR 296 N -0.23 4.26 0.86 4.34 2.01 -1.26 0.87 115.64 126.50 3hr8 s THR 296 Ca 0.00 -0.25 -0.11 0.00 0.31 0.00 0.00 61.69 61.64 3hr8 s THR 296 Cb -0.02 -3.02 0.11 0.00 0.01 0.00 0.00 72.50 69.57 3hr8 s THR 296 CO -0.00 0.30 1.09 0.42 -0.69 0.00 0.00 174.62 175.74 3hr8 s THR 297 N 1.60 2.82 0.37 -0.82 -4.23 0.47 -4.86 115.64 110.99 3hr8 s THR 297 Ca 0.06 0.27 0.04 0.00 -1.18 0.00 0.00 61.69 60.88 3hr8 s THR 297 Cb -0.15 -2.68 0.26 0.00 1.34 0.00 0.00 72.50 71.26 3hr8 s THR 297 CO 0.03 -0.35 2.02 -0.07 -0.54 0.00 0.00 174.62 175.72 3hr8 h LEU 298 N -1.47 0.61 0.00 4.79 3.38 -1.99 0.15 115.31 120.78 3hr8 h LEU 298 Ca -0.47 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3hr8 h LEU 298 Cb 1.26 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3hr8 h LEU 298 CO 0.52 0.46 0.00 1.17 0.09 0.00 0.00 178.44 180.67 3hr8 n LYS 299 N -4.44 0.73 -0.10 1.13 4.81 -1.26 -4.86 118.16 114.16 3hr8 n LYS 299 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 3hr8 n LYS 299 Cb 0.06 -1.17 0.00 0.00 0.02 0.00 0.00 35.03 33.94 3hr8 n LYS 299 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hr8 n GLY 300 N 0.31 1.24 3.69 3.14 0.00 0.54 -5.04 105.19 109.06 3hr8 n GLY 300 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3hr8 n GLY 300 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hr8 s GLU 301 N -0.54 4.31 -0.26 1.61 2.12 -1.26 -4.71 118.70 119.97 3hr8 s GLU 301 Ca 0.00 1.92 -0.19 0.00 0.36 0.00 0.00 54.97 57.06 3hr8 s GLU 301 Cb 0.00 -3.50 -0.02 0.00 0.26 0.00 0.00 34.13 30.87 3hr8 s GLU 301 CO 0.00 -0.51 0.58 -2.00 -0.54 0.00 0.00 175.26 172.79 3hr8 s GLU 302 N 2.05 4.06 -0.07 4.30 2.12 -1.26 -0.40 118.70 129.50 3hr8 s GLU 302 Ca 0.62 0.41 0.03 0.00 0.36 0.00 0.00 54.97 56.40 3hr8 s GLU 302 Cb -0.31 -3.66 -0.02 0.00 0.26 0.00 0.00 34.13 30.40 3hr8 s GLU 302 CO 0.27 -0.41 -0.17 0.54 -0.54 0.00 0.00 175.26 174.95 3hr8 s VAL 303 N 2.43 2.77 -0.35 3.70 0.11 0.25 -4.96 120.40 124.36 3hr8 s VAL 303 Ca 0.24 -0.81 -0.25 0.00 -2.93 0.00 0.00 61.98 58.23 3hr8 s VAL 303 Cb -0.15 -2.09 0.01 0.00 -1.53 0.00 0.00 36.38 32.62 3hr8 s VAL 303 CO 0.09 0.57 0.90 -0.55 -3.33 0.00 0.00 175.10 172.78 3hr8 s SER 304 N -0.29 6.69 0.38 3.54 0.15 -1.26 -1.12 113.70 121.78 3hr8 s SER 304 Ca 0.02 0.63 0.20 0.00 0.70 0.00 0.00 55.95 57.50 3hr8 s SER 304 Cb -0.13 -2.45 0.23 0.00 -1.71 0.00 0.00 66.02 61.96 3hr8 s SER 304 CO 0.03 -0.79 1.53 -0.07 1.20 0.00 0.00 173.24 175.13 3hr8 h LEU 305 N 9.90 0.00 0.00 3.45 4.07 -0.88 -3.49 115.31 128.36 3hr8 h LEU 305 Ca -0.23 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.73 3hr8 h LEU 305 Cb 1.08 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.82 3hr8 h LEU 305 CO 0.96 0.17 0.00 0.61 -1.08 0.00 0.00 178.44 179.10 3hr8 n GLY 306 N 1.15 2.03 3.63 0.83 0.00 -1.22 -3.71 105.19 107.89 3hr8 n GLY 306 Ca 0.03 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.43 3hr8 n GLY 306 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hr8 s GLN 307 N -1.69 4.10 0.00 1.61 0.74 -1.26 -1.36 119.66 121.80 3hr8 s GLN 307 Ca 0.00 0.69 0.00 0.00 0.05 0.00 0.00 55.36 56.10 3hr8 s GLN 307 Cb 0.00 -3.67 0.00 0.00 1.10 0.00 0.00 33.01 30.44 3hr8 s GLN 307 CO 0.00 -0.51 0.00 0.41 -0.55 0.00 0.00 175.29 174.64 3hr8 n GLY 308 N 4.03 -1.84 0.15 2.59 0.00 0.16 -4.25 105.19 106.03 3hr8 n GLY 308 Ca 0.02 -1.51 -0.08 0.00 0.00 0.00 0.00 46.02 44.45 3hr8 n GLY 308 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3hr8 h SER 309 N 0.00 0.34 -0.92 1.61 0.87 -1.91 -1.95 113.55 111.59 3hr8 h SER 309 Ca 0.00 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 3hr8 h SER 309 Cb 0.00 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 61.84 3hr8 h SER 309 CO 0.00 0.25 0.55 0.28 -0.53 0.00 0.00 176.83 177.38 3hr8 h SER 310 N 0.42 1.11 -0.35 6.23 0.02 -2.00 0.13 113.55 119.12 3hr8 h SER 310 Ca 0.13 -0.07 -0.12 0.00 -0.84 0.00 0.00 61.79 60.89 3hr8 h SER 310 Cb -0.01 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.24 3hr8 h SER 310 CO -0.05 0.86 -0.24 0.78 -1.14 0.00 0.00 176.83 177.03 3hr8 h ASN 311 N 1.27 0.81 -0.75 3.07 -0.26 -1.71 -2.28 115.58 115.72 3hr8 h ASN 311 Ca 0.33 -0.44 -0.06 0.00 -0.56 0.00 0.00 56.30 55.57 3hr8 h ASN 311 Cb -0.04 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 36.96 3hr8 h ASN 311 CO -0.06 1.07 0.24 0.00 -1.06 0.00 0.00 177.43 177.63 3hr8 h ALA 312 N 0.76 0.98 -0.40 -0.83 0.00 -0.79 0.01 119.26 119.00 3hr8 h ALA 312 Ca 0.07 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3hr8 h ALA 312 Cb 0.80 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3hr8 h ALA 312 CO 0.07 0.66 0.11 0.28 0.00 0.00 0.00 179.25 180.37 3hr8 h VAL 313 N 1.12 1.22 -0.89 0.00 2.07 -0.72 -1.94 116.25 117.11 3hr8 h VAL 313 Ca 0.24 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 3hr8 h VAL 313 Cb 0.30 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 3hr8 h VAL 313 CO -0.01 0.26 0.52 -0.61 0.02 0.00 0.00 177.57 177.75 3hr8 h GLN 314 N 0.50 1.21 -0.76 1.57 5.75 -1.22 -1.98 115.11 120.19 3hr8 h GLN 314 Ca 0.13 -0.12 0.07 0.00 -0.15 0.00 0.00 58.65 58.58 3hr8 h GLN 314 Cb 0.29 -0.25 -0.06 0.00 1.07 0.00 0.00 27.48 28.52 3hr8 h GLN 314 CO -0.00 0.86 0.44 0.35 -2.65 0.00 0.00 178.83 177.83 3hr8 h PHE 315 N 1.23 0.80 -0.87 3.99 3.57 -0.66 0.65 116.94 125.65 3hr8 h PHE 315 Ca 0.32 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.82 3hr8 h PHE 315 Cb -0.03 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.43 3hr8 h PHE 315 CO 0.01 0.36 0.43 -0.07 -2.23 0.00 0.00 178.31 176.81 3hr8 h LEU 316 N 0.77 1.12 -0.68 0.59 3.38 -0.66 0.30 115.31 120.14 3hr8 h LEU 316 Ca 0.35 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 3hr8 h LEU 316 Cb 0.25 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3hr8 h LEU 316 CO -0.21 0.93 0.33 0.11 0.09 0.00 0.00 178.44 179.70 3hr8 h LYS 317 N 1.23 0.98 0.00 1.13 1.57 -0.62 -2.97 116.57 117.88 3hr8 h LYS 317 Ca 0.30 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3hr8 h LYS 317 Cb 0.10 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3hr8 h LYS 317 CO -0.04 0.77 0.00 -0.25 -0.57 0.00 0.00 179.45 179.36 3hr8 n ASP 318 N -4.46 0.59 -3.29 0.86 8.00 0.13 -4.24 116.55 114.14 3hr8 n ASP 318 Ca 0.05 0.57 -0.25 0.00 0.71 0.00 0.00 54.79 55.87 3hr8 n ASP 318 Cb 0.13 -0.72 -0.07 0.00 -0.02 0.00 0.00 41.12 40.43 3hr8 n ASP 318 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3hr8 n ASN 319 N -2.07 2.21 -0.08 -2.24 4.13 0.03 -4.96 115.26 112.28 3hr8 n ASN 319 Ca 0.05 -3.13 0.11 0.00 1.68 0.00 0.00 54.58 53.29 3hr8 n ASN 319 Cb 0.36 -0.65 0.50 0.00 -1.54 0.00 0.00 39.78 38.45 3hr8 n ASN 319 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 3hr8 h PRO 320 N 3.99 0.40 -0.53 3.52 0.11 -1.74 -1.95 132.00 135.80 3hr8 h PRO 320 Ca 0.14 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.11 3hr8 h PRO 320 Cb 0.76 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.76 3hr8 h PRO 320 CO 0.67 0.27 -0.11 0.93 -0.21 0.00 0.00 178.00 179.54 3hr8 h GLU 321 N 0.42 1.02 -0.27 1.05 3.07 -1.93 0.75 114.58 118.69 3hr8 h GLU 321 Ca 0.27 -0.38 -0.07 0.00 -0.50 0.00 0.00 59.36 58.68 3hr8 h GLU 321 Cb 0.50 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 3hr8 h GLU 321 CO -0.07 1.07 -0.10 0.82 -1.40 0.00 0.00 179.01 179.32 3hr8 h ILE 322 N 0.89 1.29 -0.44 3.13 2.04 -1.75 -2.55 117.51 120.13 3hr8 h ILE 322 Ca 0.14 -1.16 0.05 0.00 1.00 0.00 0.00 64.86 64.88 3hr8 h ILE 322 Cb 0.68 1.48 -0.04 0.00 -0.74 0.00 0.00 36.82 38.20 3hr8 h ILE 322 CO 0.05 0.37 0.18 0.00 0.00 0.00 0.00 178.15 178.75 3hr8 h ALA 323 N 0.75 0.53 -0.73 1.87 0.00 -1.21 -1.35 119.26 119.12 3hr8 h ALA 323 Ca 0.06 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.09 3hr8 h ALA 323 Cb 0.60 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 3hr8 h ALA 323 CO 0.03 -0.20 0.41 0.78 0.00 0.00 0.00 179.25 180.27 3hr8 h GLY 324 N 0.37 1.10 0.91 0.00 0.00 -0.82 0.30 103.07 104.93 3hr8 h GLY 324 Ca 0.20 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 3hr8 h GLY 324 CO -0.18 0.13 0.08 -2.09 0.00 0.00 0.00 176.54 174.48 3hr8 h GLU 325 N 0.71 0.55 -0.88 4.80 4.81 -0.98 0.12 114.58 123.71 3hr8 h GLU 325 Ca 0.34 -0.14 0.03 0.00 -0.13 0.00 0.00 59.36 59.46 3hr8 h GLU 325 Cb 0.27 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.54 3hr8 h GLU 325 CO -0.22 0.61 0.58 0.82 -0.73 0.00 0.00 179.01 180.07 3hr8 h ILE 326 N 0.40 1.17 -0.13 2.32 2.04 -0.74 -0.60 117.51 121.96 3hr8 h ILE 326 Ca 0.11 -0.38 -0.11 0.00 1.00 0.00 0.00 64.86 65.47 3hr8 h ILE 326 Cb 0.31 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 3hr8 h ILE 326 CO 0.00 0.20 -0.34 -0.08 0.00 0.00 0.00 178.15 177.94 3hr8 h GLU 327 N 1.12 0.47 -0.62 2.37 4.81 -0.50 -2.26 114.58 119.97 3hr8 h GLU 327 Ca 0.34 -0.33 0.03 0.00 -0.13 0.00 0.00 59.36 59.28 3hr8 h GLU 327 Cb -0.02 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 3hr8 h GLU 327 CO -0.10 0.94 0.37 0.00 -0.73 0.00 0.00 179.01 179.49 3hr8 h ARG 328 N 0.07 0.70 -0.66 1.92 3.08 -0.52 -0.10 114.38 118.87 3hr8 h ARG 328 Ca -0.00 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.03 3hr8 h ARG 328 Cb 0.95 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.80 3hr8 h ARG 328 CO 0.07 0.46 0.41 0.00 -1.07 0.00 0.00 179.97 179.84 3hr8 h ARG 329 N 0.72 0.77 -0.12 0.04 3.08 -1.03 0.20 114.38 118.04 3hr8 h ARG 329 Ca 0.26 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.26 3hr8 h ARG 329 Cb 0.06 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 3hr8 h ARG 329 CO -0.12 0.51 0.06 0.82 -1.07 0.00 0.00 179.97 180.17 3hr8 h ILE 330 N 0.79 1.12 -0.73 2.04 2.04 -0.77 -1.26 117.51 120.74 3hr8 h ILE 330 Ca 0.27 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.80 3hr8 h ILE 330 Cb 0.03 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 3hr8 h ILE 330 CO -0.11 0.10 0.48 0.03 0.00 0.00 0.00 178.15 178.65 3hr8 h ARG 331 N 0.07 0.96 -0.27 2.37 3.08 -0.57 -2.44 114.38 117.58 3hr8 h ARG 331 Ca 0.04 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.05 3hr8 h ARG 331 Cb 0.11 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 3hr8 h ARG 331 CO -0.01 0.64 0.11 0.93 -1.07 0.00 0.00 179.97 180.58 3hr8 h GLU 332 N 0.99 0.24 -0.60 0.04 5.08 -0.47 0.64 114.58 120.50 3hr8 h GLU 332 Ca 0.27 -0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.79 3hr8 h GLU 332 Cb -0.11 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 3hr8 h GLU 332 CO -0.06 0.16 0.44 -0.22 -1.00 0.00 0.00 179.01 178.34 3hr8 h LYS 333 N 0.25 0.00 -0.33 2.33 3.64 -0.75 -0.27 116.57 121.44 3hr8 h LYS 333 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3hr8 h LYS 333 Cb 0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3hr8 h LYS 333 CO -0.10 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.74 3hr8 n TYR 334 N -4.31 0.43 -0.85 1.91 4.02 -0.83 -4.98 117.16 112.54 3hr8 n TYR 334 Ca 0.12 -0.34 0.00 0.00 -0.01 0.00 0.00 57.90 57.67 3hr8 n TYR 334 Cb 0.69 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.99 3hr8 n TYR 334 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hr8 n GLY 335 N 0.87 0.55 0.05 2.72 0.00 -0.11 -4.83 105.19 104.43 3hr8 n GLY 335 Ca 0.14 -0.82 0.02 0.00 0.00 0.00 0.00 46.02 45.36 3hr8 n GLY 335 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hr8 n LEU 336 N 0.00 0.04 -4.69 0.99 4.77 0.09 -4.75 117.00 113.45 3hr8 n LEU 336 Ca 0.00 0.02 -0.44 0.00 -0.03 0.00 0.00 56.01 55.56 3hr8 n LEU 336 Cb 0.04 0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 41.29 3hr8 n LEU 336 CO 0.00 0.20 1.27 -0.11 -1.33 0.00 0.00 177.39 177.42 3hr8 n LEU 337 N -2.48 3.55 -0.32 2.23 -0.00 -1.23 -4.81 117.00 113.94 3hr8 n LEU 337 Ca -0.15 1.08 -0.04 0.00 -0.00 0.00 0.00 56.01 56.89 3hr8 n LEU 337 Cb 0.81 -1.50 0.08 0.00 -0.00 0.00 0.00 43.42 42.81 3hr8 n LEU 337 CO 0.45 -0.06 1.14 0.77 -0.00 0.00 0.00 177.39 179.69 3hr8 h SER 338 N 6.22 1.09 0.00 1.96 4.64 -1.96 -3.45 113.55 122.06 3hr8 h SER 338 Ca -0.44 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 3hr8 h SER 338 Cb 1.23 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 3hr8 h SER 338 CO 0.91 0.90 0.00 0.55 -0.87 0.00 0.00 176.83 178.32 3hr8 n VAL 339 N -4.34 0.00 0.89 0.95 3.14 -1.26 -4.65 118.33 113.06 3hr8 n VAL 339 Ca 0.09 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.59 3hr8 n VAL 339 Cb 0.11 0.00 0.26 0.00 -1.06 0.00 0.00 33.84 33.15 3hr8 n VAL 339 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3hr8 n GLU 340 N -2.26 2.18 -1.92 1.45 1.02 -1.26 -4.93 120.64 114.92 3hr8 n GLU 340 Ca 0.00 -1.75 -0.41 0.00 -0.02 0.00 0.00 57.16 54.98 3hr8 n GLU 340 Cb 0.00 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 29.93 3hr8 n GLU 340 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 3hr8 s LYS 341 N -1.79 4.21 0.03 3.49 -2.85 -1.26 -4.98 119.74 116.58 3hr8 s LYS 341 Ca 0.34 2.43 0.04 0.00 -1.00 0.00 0.00 55.97 57.77 3hr8 s LYS 341 Cb 0.21 -3.05 -0.04 0.00 -2.06 0.00 0.00 37.83 32.89 3hr8 s LYS 341 CO 0.30 -0.46 -0.04 -1.83 0.10 0.00 0.00 175.35 173.42 3hr8 s GLU 342 N -1.05 2.56 -0.16 1.78 1.03 -1.26 -5.08 118.70 116.52 3hr8 s GLU 342 Ca 0.57 -0.76 -0.18 0.00 0.03 0.00 0.00 54.97 54.64 3hr8 s GLU 342 Cb -0.44 -2.53 -0.15 0.00 -0.80 0.00 0.00 34.13 30.21 3hr8 s GLU 342 CO 0.51 0.58 0.27 0.93 -1.33 0.00 0.00 175.26 176.22 3hr8 h GLU 343 N 4.13 0.00 -6.93 -4.83 3.07 -2.03 -3.48 114.58 104.51 3hr8 h GLU 343 Ca -0.48 0.00 -0.50 0.00 -0.50 0.00 0.00 59.36 57.88 3hr8 h GLU 343 Cb 1.17 0.00 0.04 0.00 -0.84 0.00 0.00 28.75 29.11 3hr8 h GLU 343 CO 0.56 0.65 0.47 -1.14 -1.40 0.00 0.00 179.01 178.14 3hr8 s GLN 344 N -2.16 4.17 0.00 2.33 0.74 -1.26 -5.32 119.66 118.15 3hr8 s GLN 344 Ca -0.19 1.72 0.00 0.00 0.05 0.00 0.00 55.36 56.95 3hr8 s GLN 344 Cb 0.02 -2.70 0.00 0.00 1.10 0.00 0.00 33.01 31.43 3hr8 s GLN 344 CO 0.45 -0.19 0.00 -2.13 -0.55 0.00 0.00 175.29 172.87