#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3djf s VAL 5 N 0.00 3.37 0.35 -3.33 -7.23 -1.26 -4.97 120.40 107.33 3djf s VAL 5 Ca 0.00 1.37 -0.29 0.00 -1.81 0.00 0.00 61.98 61.26 3djf s VAL 5 Cb 0.00 -3.87 -0.11 0.00 0.56 0.00 0.00 36.38 32.96 3djf s VAL 5 CO 0.00 0.32 1.54 0.41 -0.31 0.00 0.00 175.10 177.05 3djf n THR 6 N 1.08 1.66 -1.17 5.32 -1.04 -1.26 -4.69 114.28 114.18 3djf n THR 6 Ca -0.01 -0.42 -0.23 0.00 -2.04 0.00 0.00 64.05 61.36 3djf n THR 6 Cb 0.44 -2.00 -0.11 0.00 -1.82 0.00 0.00 70.33 66.85 3djf n THR 6 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3djf n ALA 7 N 1.03 6.79 -1.97 2.41 0.00 -1.26 -4.63 120.51 122.88 3djf n ALA 7 Ca 0.04 -2.54 -0.22 0.00 0.00 0.00 0.00 53.44 50.72 3djf n ALA 7 Cb 0.38 -2.66 0.04 0.00 0.00 0.00 0.00 19.45 17.21 3djf n ALA 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3djf s ASN 8 N 1.88 5.18 0.36 0.00 2.20 -1.26 -4.89 114.94 118.41 3djf s ASN 8 Ca 0.67 0.09 0.05 0.00 -0.94 0.00 0.00 52.86 52.73 3djf s ASN 8 Cb 0.27 -0.93 0.72 0.00 -2.00 0.00 0.00 41.25 39.32 3djf s ASN 8 CO -0.04 -1.24 1.97 -0.29 -2.94 0.00 0.00 177.10 174.56 3djf h ILE 9 N -0.07 1.05 0.48 0.54 6.09 -1.97 -1.71 117.51 121.92 3djf h ILE 9 Ca -0.43 -0.27 -0.02 0.00 -1.37 0.00 0.00 64.86 62.77 3djf h ILE 9 Cb 1.30 0.20 0.00 0.00 0.47 0.00 0.00 36.82 38.80 3djf h ILE 9 CO 0.54 0.14 -0.23 -0.33 -3.07 0.00 0.00 178.15 175.20 3djf h GLU 10 N 0.78 -0.62 -0.67 2.19 3.07 -1.94 -0.02 114.58 117.36 3djf h GLU 10 Ca 0.30 0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 59.13 3djf h GLU 10 Cb 0.20 0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.22 3djf h GLU 10 CO -0.10 -0.37 0.14 -0.91 -1.40 0.00 0.00 179.01 176.37 3djf h ASN 11 N -0.73 1.04 -0.53 1.42 2.35 -1.76 -1.72 115.58 115.65 3djf h ASN 11 Ca -0.07 -0.25 -0.05 0.00 -0.55 0.00 0.00 56.30 55.38 3djf h ASN 11 Cb 0.54 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 3djf h ASN 11 CO 0.11 1.02 0.12 0.58 -1.65 0.00 0.00 177.43 177.61 3djf h VAL 12 N 1.02 1.25 -0.27 2.81 2.07 -1.30 -2.08 116.25 119.75 3djf h VAL 12 Ca 0.21 -0.88 0.04 0.00 0.82 0.00 0.00 66.70 66.88 3djf h VAL 12 Cb 0.40 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 3djf h VAL 12 CO 0.01 0.32 0.06 0.11 0.02 0.00 0.00 177.57 178.09 3djf h LYS 13 N 0.75 0.16 -0.45 1.57 1.57 -0.82 -0.20 116.57 119.16 3djf h LYS 13 Ca 0.17 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.99 3djf h LYS 13 Cb 0.35 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.58 3djf h LYS 13 CO 0.00 0.10 0.16 0.87 -0.57 0.00 0.00 179.45 180.02 3djf h LYS 14 N 0.16 0.32 -0.43 3.15 1.57 -0.97 -0.68 116.57 119.69 3djf h LYS 14 Ca 0.12 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 3djf h LYS 14 Cb 0.12 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 3djf h LYS 14 CO -0.16 0.21 0.03 0.28 -0.57 0.00 0.00 179.45 179.24 3djf h VAL 15 N 0.33 1.26 -0.79 0.50 2.07 -1.08 -2.50 116.25 116.02 3djf h VAL 15 Ca 0.21 -0.98 0.03 0.00 0.82 0.00 0.00 66.70 66.78 3djf h VAL 15 Cb 0.20 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 3djf h VAL 15 CO -0.21 0.34 0.51 0.00 0.02 0.00 0.00 177.57 178.22 3djf h ALA 16 N 0.91 1.03 -0.47 1.67 0.00 -0.65 -2.39 119.26 119.37 3djf h ALA 16 Ca 0.13 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3djf h ALA 16 Cb 0.45 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3djf h ALA 16 CO 0.02 0.34 -0.12 0.45 0.00 0.00 0.00 179.25 179.93 3djf h HIS 17 N 1.00 1.03 -0.32 0.00 -0.00 -0.99 -1.33 115.15 114.54 3djf h HIS 17 Ca 0.31 -0.22 0.04 0.00 -0.00 0.00 0.00 60.37 60.49 3djf h HIS 17 Cb -0.02 -0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 27.11 3djf h HIS 17 CO -0.03 1.00 0.11 1.25 -0.00 0.00 0.00 177.93 180.26 3djf h HIS 18 N 0.76 0.19 -0.65 2.45 6.17 -1.23 -2.28 115.15 120.56 3djf h HIS 18 Ca 0.12 0.02 0.04 0.00 0.71 0.00 0.00 60.37 61.25 3djf h HIS 18 Cb 0.68 -0.04 -0.05 0.00 2.52 0.00 0.00 27.41 30.52 3djf h HIS 18 CO 0.05 0.08 0.39 0.82 0.71 0.00 0.00 177.93 179.98 3djf h ILE 19 N 0.25 1.04 0.00 6.26 2.04 -1.24 -1.68 117.51 124.17 3djf h ILE 19 Ca 0.14 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3djf h ILE 19 Cb 0.11 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 3djf h ILE 19 CO -0.15 0.14 0.00 1.56 0.00 0.00 0.00 178.15 179.70 3djf h GLN 20 N 0.75 0.00 0.00 2.37 4.20 -0.70 0.44 115.11 122.17 3djf h GLN 20 Ca 0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.98 3djf h GLN 20 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3djf h GLN 20 CO -0.13 0.00 -0.24 1.17 -0.67 0.00 0.00 178.83 178.96 3djf n LYS 21 N -2.64 0.24 -0.00 1.46 4.81 -0.64 -3.70 118.16 117.69 3djf n LYS 21 Ca -0.01 0.15 0.09 0.00 -0.87 0.00 0.00 58.31 57.66 3djf n LYS 21 Cb 0.13 -1.73 -0.11 0.00 0.02 0.00 0.00 35.03 33.34 3djf n LYS 21 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3djf n LEU 22 N -2.12 0.70 -3.62 3.14 4.32 0.13 -4.99 117.00 114.55 3djf n LEU 22 Ca 0.05 -0.41 -0.12 0.00 -0.02 0.00 0.00 56.01 55.50 3djf n LEU 22 Cb 0.42 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.17 3djf n LEU 22 CO 0.32 0.17 0.20 0.28 -1.22 0.00 0.00 177.39 177.15 3djf s THR 23 N -2.78 0.05 -1.26 -5.08 -1.32 -1.10 -5.04 115.64 99.11 3djf s THR 23 Ca 0.04 -0.41 0.12 0.00 -1.21 0.00 0.00 61.69 60.24 3djf s THR 23 Cb 0.13 -1.02 0.03 0.00 -1.51 0.00 0.00 72.50 70.12 3djf s THR 23 CO 0.74 -0.22 0.77 -1.54 -2.21 0.00 0.00 174.62 172.15 3djf n SER 24 N 0.21 1.56 -4.66 8.08 3.41 -1.26 -4.57 113.62 116.39 3djf n SER 24 Ca -0.18 -1.28 -0.42 0.00 -0.26 0.00 0.00 58.87 56.73 3djf n SER 24 Cb 0.61 0.34 -0.03 0.00 -0.26 0.00 0.00 64.21 64.88 3djf n SER 24 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3djf s ILE 25 N -1.43 3.75 -0.52 -1.33 -1.09 -1.26 -4.99 121.20 114.34 3djf s ILE 25 Ca 0.11 0.90 -0.19 0.00 -2.23 0.00 0.00 60.65 59.24 3djf s ILE 25 Cb 0.10 -3.60 0.06 0.00 -1.58 0.00 0.00 42.46 37.45 3djf s ILE 25 CO 0.27 -0.10 0.66 -0.69 -1.23 0.00 0.00 174.94 173.85 3djf s VAL 26 N 4.01 4.83 0.29 2.92 1.01 -1.26 -5.03 120.40 127.17 3djf s VAL 26 Ca 0.69 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 3djf s VAL 26 Cb -0.30 -4.34 -0.10 0.00 0.00 0.00 0.00 36.38 31.64 3djf s VAL 26 CO 0.26 -0.87 1.16 -2.16 0.00 0.00 0.00 175.10 173.49 3djf s PRO 27 N 2.75 4.56 -0.02 2.72 0.05 -1.26 -4.83 135.00 138.97 3djf s PRO 27 Ca 0.16 1.91 0.09 0.00 0.05 0.00 0.00 61.00 63.21 3djf s PRO 27 Cb -0.19 -3.16 -0.14 0.00 0.05 0.00 0.00 34.50 31.06 3djf s PRO 27 CO 0.12 0.09 0.18 -0.85 0.05 0.00 0.00 177.00 176.59 3djf n GLU 28 N 1.17 0.52 -5.00 4.56 0.28 0.02 -2.49 120.64 119.71 3djf n GLU 28 Ca -0.01 -0.08 -0.29 0.00 -0.16 0.00 0.00 57.16 56.63 3djf n GLU 28 Cb 0.44 -1.22 -0.17 0.00 1.43 0.00 0.00 31.44 31.92 3djf n GLU 28 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3djf s ILE 29 N -2.60 1.73 -0.13 3.84 1.01 -1.05 -0.56 121.20 123.45 3djf s ILE 29 Ca -0.03 -0.83 -0.04 0.00 0.00 0.00 0.00 60.65 59.74 3djf s ILE 29 Cb 0.06 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 3djf s ILE 29 CO 0.38 0.49 0.03 -0.83 0.00 0.00 0.00 174.94 175.01 3djf s GLY 30 N 0.43 1.89 -0.13 6.18 0.00 0.62 -1.12 107.32 115.19 3djf s GLY 30 Ca -0.17 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 43.78 3djf s GLY 30 CO 0.07 -0.29 -0.11 -0.42 0.00 0.00 0.00 173.10 172.34 3djf s ILE 31 N -0.36 1.31 -0.46 0.90 1.01 -0.20 0.15 121.20 123.56 3djf s ILE 31 Ca 0.08 -0.48 -0.15 0.00 0.00 0.00 0.00 60.65 60.10 3djf s ILE 31 Cb -0.12 -1.26 0.06 0.00 0.01 0.00 0.00 42.46 41.15 3djf s ILE 31 CO 0.02 0.41 0.37 -0.63 0.00 0.00 0.00 174.94 175.12 3djf s ILE 32 N 1.49 5.20 -0.19 2.92 1.01 -0.10 -0.29 121.20 131.25 3djf s ILE 32 Ca 0.03 -1.01 -0.29 0.00 0.00 0.00 0.00 60.65 59.38 3djf s ILE 32 Cb -0.13 -4.07 -0.02 0.00 0.01 0.00 0.00 42.46 38.25 3djf s ILE 32 CO -0.08 -0.53 1.35 0.00 0.00 0.00 0.00 174.94 175.68 3djf n GLY 34 N 3.92 1.07 3.66 0.00 0.00 -1.21 -4.70 105.19 107.93 3djf n GLY 34 Ca 0.15 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 3djf n GLY 34 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3djf s SER 35 N -0.54 7.08 0.00 1.61 0.15 -1.26 -3.65 113.70 117.08 3djf s SER 35 Ca 0.00 1.34 0.00 0.00 0.70 0.00 0.00 55.95 57.99 3djf s SER 35 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 3djf s SER 35 CO 0.00 -0.70 0.00 0.61 1.20 0.00 0.00 173.24 174.35 3djf n GLY 36 N 3.39 1.95 1.70 9.45 0.00 -1.26 -4.46 105.19 115.96 3djf n GLY 36 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.07 3djf n GLY 36 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3djf n LEU 37 N 0.00 5.47 -0.12 0.99 4.77 -1.24 -4.25 117.00 122.62 3djf n LEU 37 Ca 0.00 -3.41 -0.09 0.00 -0.03 0.00 0.00 56.01 52.48 3djf n LEU 37 Cb 0.00 -0.71 -0.01 0.00 -2.33 0.00 0.00 43.42 40.36 3djf n LEU 37 CO 0.00 0.95 0.91 1.23 -1.33 0.00 0.00 177.39 179.15 3djf h GLY 38 N 1.79 0.59 2.00 -0.72 0.00 -1.91 -3.20 103.07 101.62 3djf h GLY 38 Ca 0.30 -0.32 -0.14 0.00 0.00 0.00 0.00 47.33 47.17 3djf h GLY 38 CO 0.67 0.30 -0.66 0.50 0.00 0.00 0.00 176.54 177.35 3djf h LYS 39 N 0.45 0.00 -0.78 4.80 1.57 -1.87 -3.27 116.57 117.46 3djf h LYS 39 Ca 0.12 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 59.04 3djf h LYS 39 Cb 0.18 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.40 3djf h LYS 39 CO -0.01 0.66 0.36 1.25 -0.57 0.00 0.00 179.45 181.14 3djf h LEU 40 N 0.00 0.39 -1.27 2.94 5.85 -1.85 -0.86 115.31 120.50 3djf h LEU 40 Ca -0.01 0.10 0.22 0.00 0.84 0.00 0.00 57.88 59.03 3djf h LEU 40 Cb 1.20 0.05 -0.09 0.00 0.37 0.00 0.00 40.66 42.19 3djf h LEU 40 CO 0.09 0.16 0.63 0.00 -0.34 0.00 0.00 178.44 178.98 3djf h ALA 41 N 1.54 2.02 0.02 1.25 0.00 -1.68 -2.55 119.26 119.87 3djf h ALA 41 Ca 0.42 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.39 3djf h ALA 41 Cb 0.61 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3djf h ALA 41 CO -0.37 -0.39 -0.01 -0.44 0.00 0.00 0.00 179.25 178.04 3djf h ASP 42 N 0.53 -0.03 0.00 0.00 3.45 -1.36 -3.20 116.42 115.81 3djf h ASP 42 Ca 0.56 -0.55 0.00 0.00 0.43 0.00 0.00 57.03 57.47 3djf h ASP 42 Cb 1.20 0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.98 3djf h ASP 42 CO -0.30 0.54 0.26 1.23 -1.57 0.00 0.00 179.24 179.40 3djf h GLY 43 N -0.61 0.00 -4.79 2.75 0.00 -1.39 -3.42 103.07 95.61 3djf h GLY 43 Ca -0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.80 3djf h GLY 43 CO 0.01 0.00 1.03 0.14 0.00 0.00 0.00 176.54 177.71 3djf s VAL 44 N -3.67 2.40 0.07 4.60 1.01 -1.21 -4.93 120.40 118.67 3djf s VAL 44 Ca -0.02 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.10 3djf s VAL 44 Cb 0.06 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 3djf s VAL 44 CO 0.20 0.01 0.20 -0.54 0.00 0.00 0.00 175.10 174.96 3djf s LYS 45 N 1.86 3.38 -1.42 2.72 1.02 0.17 -4.34 119.74 123.14 3djf s LYS 45 Ca 0.76 -0.48 -0.10 0.00 0.02 0.00 0.00 55.97 56.17 3djf s LYS 45 Cb -0.47 -3.00 0.03 0.00 -0.52 0.00 0.00 37.83 33.88 3djf s LYS 45 CO 0.33 0.60 1.11 -0.25 -0.92 0.00 0.00 175.35 176.23 3djf n ASP 46 N 0.27 -5.93 -4.82 2.83 8.00 -1.26 -1.33 116.55 114.30 3djf n ASP 46 Ca -0.05 -0.60 -0.38 0.00 0.71 0.00 0.00 54.79 54.46 3djf n ASP 46 Cb 0.51 -4.68 -0.06 0.00 -0.02 0.00 0.00 41.12 36.87 3djf n ASP 46 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3djf s LYS 47 N -6.40 4.13 -0.10 -1.24 -2.85 -1.26 -4.57 119.74 107.45 3djf s LYS 47 Ca 0.61 0.66 0.01 0.00 -1.00 0.00 0.00 55.97 56.25 3djf s LYS 47 Cb -0.28 -3.17 -0.02 0.00 -2.06 0.00 0.00 37.83 32.30 3djf s LYS 47 CO 0.75 0.61 -0.14 -1.50 0.10 0.00 0.00 175.35 175.17 3djf s ILE 48 N -1.18 3.02 -0.24 3.79 2.07 -0.46 -4.99 121.20 123.21 3djf s ILE 48 Ca 0.30 -0.70 -0.08 0.00 -1.41 0.00 0.00 60.65 58.76 3djf s ILE 48 Cb -0.18 -2.23 -0.04 0.00 0.13 0.00 0.00 42.46 40.13 3djf s ILE 48 CO 0.19 0.55 0.10 -0.89 -1.91 0.00 0.00 174.94 172.97 3djf s THR 49 N -0.03 4.72 -0.22 4.00 2.01 -1.26 -1.75 115.64 123.10 3djf s THR 49 Ca -0.03 -0.04 -0.01 0.00 0.31 0.00 0.00 61.69 61.91 3djf s THR 49 Cb -0.14 -3.19 0.02 0.00 0.01 0.00 0.00 72.50 69.19 3djf s THR 49 CO 0.04 0.35 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.60 3djf s ILE 50 N 1.28 2.78 0.24 1.82 1.01 0.09 -4.98 121.20 123.44 3djf s ILE 50 Ca 0.06 -0.88 -0.30 0.00 0.00 0.00 0.00 60.65 59.53 3djf s ILE 50 Cb -0.15 -2.32 -0.09 0.00 0.01 0.00 0.00 42.46 39.91 3djf s ILE 50 CO 0.05 0.34 1.10 -2.84 0.00 0.00 0.00 174.94 173.59 3djf s PRO 51 N 1.35 4.62 0.41 2.79 0.02 -1.26 0.35 135.00 143.28 3djf s PRO 51 Ca 0.03 1.77 0.16 0.00 0.02 0.00 0.00 61.00 62.98 3djf s PRO 51 Cb -0.15 -3.22 1.05 0.00 0.02 0.00 0.00 34.50 32.19 3djf s PRO 51 CO -0.06 0.15 1.87 1.88 -0.33 0.00 0.00 177.00 180.51 3djf h TYR 52 N 4.36 0.56 0.00 6.54 0.05 -1.49 0.64 116.97 127.63 3djf h TYR 52 Ca -0.46 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.34 3djf h TYR 52 Cb 1.21 -0.17 -0.00 0.00 1.01 0.00 0.00 36.73 38.78 3djf h TYR 52 CO 0.60 0.17 -0.01 1.79 -1.05 0.00 0.00 178.16 179.67 3djf h THR 53 N 0.44 0.07 -0.06 -2.88 1.35 -1.91 -0.80 112.91 109.11 3djf h THR 53 Ca 0.44 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 66.16 3djf h THR 53 Cb 1.04 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 3djf h THR 53 CO -0.17 0.01 0.00 0.29 -0.25 0.00 0.00 175.52 175.40 3djf n LYS 54 N -3.16 1.85 -3.71 4.72 5.02 0.22 -4.79 118.16 118.29 3djf n LYS 54 Ca -0.02 -1.24 -0.38 0.00 -2.02 0.00 0.00 58.31 54.65 3djf n LYS 54 Cb 0.13 -1.46 -0.11 0.00 -0.02 0.00 0.00 35.03 33.56 3djf n LYS 54 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3djf s ILE 55 N -1.94 3.79 0.02 -0.18 1.01 -0.31 -5.03 121.20 118.55 3djf s ILE 55 Ca 0.35 -1.42 -0.35 0.00 0.00 0.00 0.00 60.65 59.23 3djf s ILE 55 Cb 0.20 -3.29 -0.14 0.00 0.01 0.00 0.00 42.46 39.25 3djf s ILE 55 CO 0.32 -0.39 1.68 -2.65 0.00 0.00 0.00 174.94 173.90 3djf n PRO 56 N 4.80 1.95 -0.83 2.79 -0.02 -1.26 -1.62 135.00 140.81 3djf n PRO 56 Ca -0.10 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3djf n PRO 56 Cb 0.43 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 3djf n PRO 56 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3djf n ASN 57 N 4.71 -0.11 -4.76 2.55 5.03 -1.26 -4.73 115.26 116.69 3djf n ASN 57 Ca 0.20 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 55.25 3djf n ASN 57 Cb 0.26 -0.92 -0.04 0.00 -1.02 0.00 0.00 39.78 38.07 3djf n ASN 57 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 3djf s PHE 58 N -2.89 3.45 0.63 3.10 5.36 -0.64 -4.90 117.98 122.09 3djf s PHE 58 Ca 0.00 1.65 -0.19 0.00 -0.96 0.00 0.00 56.93 57.43 3djf s PHE 58 Cb 0.00 -3.33 -0.02 0.00 -0.34 0.00 0.00 43.02 39.33 3djf s PHE 58 CO 0.00 -0.78 1.28 -2.30 -1.46 0.00 0.00 175.22 171.95 3djf n PRO 59 N 0.96 1.18 -4.06 10.12 -0.02 -1.26 -4.96 135.00 136.96 3djf n PRO 59 Ca -0.00 0.46 -0.32 0.00 -2.02 0.00 0.00 63.50 61.62 3djf n PRO 59 Cb 0.45 -2.51 -0.06 0.00 -0.02 0.00 0.00 33.50 31.36 3djf n PRO 59 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3djf s GLN 60 N -3.25 3.07 0.06 -0.52 -1.52 -1.26 -4.91 119.66 111.33 3djf s GLN 60 Ca 0.81 -0.53 0.01 0.00 -1.95 0.00 0.00 55.36 53.69 3djf s GLN 60 Cb -0.39 -2.85 0.01 0.00 -0.22 0.00 0.00 33.01 29.56 3djf s GLN 60 CO 0.42 0.62 0.08 -2.37 -0.25 0.00 0.00 175.29 173.79 3djf n THR 61 N 0.87 0.00 -0.01 -0.19 5.66 -1.26 -5.09 114.28 114.26 3djf n THR 61 Ca -0.11 -0.21 0.01 0.00 -3.05 0.00 0.00 64.05 60.69 3djf n THR 61 Cb 0.52 -0.85 -0.04 0.00 -1.55 0.00 0.00 70.33 68.41 3djf n THR 61 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 3djf n SER 62 N -2.75 3.95 -4.43 1.09 7.64 -1.26 -4.95 113.62 112.91 3djf n SER 62 Ca 0.01 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.79 3djf n SER 62 Cb 0.07 1.05 -0.09 0.00 -1.01 0.00 0.00 64.21 64.23 3djf n SER 62 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3djf n VAL 63 N -1.79 0.00 -3.85 0.44 0.31 -1.16 -3.01 118.33 109.27 3djf n VAL 63 Ca -0.02 -0.20 -0.25 0.00 -0.01 0.00 0.00 64.34 63.86 3djf n VAL 63 Cb 0.26 -1.42 -0.07 0.00 -0.91 0.00 0.00 33.84 31.70 3djf n VAL 63 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 3djf n VAL 64 N 7.80 -0.60 0.00 2.52 3.14 -1.26 -1.55 118.33 128.37 3djf n VAL 64 Ca 0.33 -0.30 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 3djf n VAL 64 Cb 0.46 -0.68 0.00 0.00 -1.06 0.00 0.00 33.84 32.56 3djf n VAL 64 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3djf n GLY 65 N -1.94 2.98 3.72 7.55 0.00 -1.16 -5.04 105.19 111.30 3djf n GLY 65 Ca -0.18 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 3djf n GLY 65 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3djf s HIS 66 N -0.18 3.02 0.51 1.61 0.09 -0.60 -5.03 115.29 114.72 3djf s HIS 66 Ca 0.00 0.67 -0.12 0.00 -0.00 0.00 0.00 55.06 55.61 3djf s HIS 66 Cb 0.00 -3.94 -0.06 0.00 -0.00 0.00 0.00 32.58 28.58 3djf s HIS 66 CO 0.00 -3.41 0.92 0.45 -0.00 0.00 0.00 174.74 172.70 3djf s SER 67 N 0.98 6.43 0.80 1.40 0.15 -1.26 -2.97 113.70 119.23 3djf s SER 67 Ca 0.68 1.33 -0.11 0.00 0.70 0.00 0.00 55.95 58.55 3djf s SER 67 Cb -0.44 -2.42 0.07 0.00 -1.71 0.00 0.00 66.02 61.52 3djf s SER 67 CO 0.34 -0.62 1.09 -0.83 1.20 0.00 0.00 173.24 174.42 3djf s GLY 68 N -3.56 1.63 0.06 9.45 0.00 -1.26 -4.91 107.32 108.73 3djf s GLY 68 Ca 0.54 -0.07 0.03 0.00 0.00 0.00 0.00 44.72 45.22 3djf s GLY 68 CO 0.40 0.34 -0.09 -1.31 0.00 0.00 0.00 173.10 172.44 3djf s ASN 69 N -3.71 1.09 -0.19 1.64 0.01 -0.53 -1.16 114.94 112.10 3djf s ASN 69 Ca 0.61 -0.63 -0.07 0.00 -0.71 0.00 0.00 52.86 52.05 3djf s ASN 69 Cb -0.15 0.02 -0.04 0.00 0.41 0.00 0.00 41.25 41.49 3djf s ASN 69 CO 0.55 -0.21 0.06 -0.22 -1.51 0.00 0.00 177.10 175.76 3djf s LEU 70 N -1.84 3.75 -0.22 0.60 2.96 0.15 -1.00 118.68 123.08 3djf s LEU 70 Ca -0.05 0.04 0.02 0.00 -0.22 0.00 0.00 54.13 53.93 3djf s LEU 70 Cb -0.08 -1.95 0.04 0.00 0.50 0.00 0.00 46.19 44.71 3djf s LEU 70 CO 0.00 0.16 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.41 3djf s ILE 71 N 0.47 2.06 0.18 6.68 1.01 -0.36 -0.73 121.20 130.51 3djf s ILE 71 Ca 0.03 -1.28 0.04 0.00 0.00 0.00 0.00 60.65 59.43 3djf s ILE 71 Cb -0.13 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.26 3djf s ILE 71 CO 0.01 0.22 0.28 -0.36 0.00 0.00 0.00 174.94 175.09 3djf s PHE 72 N 1.21 3.41 -5.00 3.97 0.40 -0.72 -0.62 117.98 120.63 3djf s PHE 72 Ca -0.02 0.05 0.00 0.00 -0.60 0.00 0.00 56.93 56.36 3djf s PHE 72 Cb -0.17 -1.61 0.00 0.00 0.51 0.00 0.00 43.02 41.75 3djf s PHE 72 CO -0.09 0.50 0.00 0.41 0.70 0.00 0.00 175.22 176.74 3djf n GLY 73 N -0.76 -0.19 3.44 4.36 0.00 -1.11 -1.35 105.19 109.58 3djf n GLY 73 Ca -0.08 -1.36 -0.22 0.00 0.00 0.00 0.00 46.02 44.36 3djf n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3djf s THR 74 N -2.94 2.10 -0.30 2.61 -4.23 -0.44 -1.28 115.64 111.14 3djf s THR 74 Ca 0.00 -2.27 -0.07 0.00 -1.18 0.00 0.00 61.69 58.17 3djf s THR 74 Cb 0.00 -2.32 0.15 0.00 1.34 0.00 0.00 72.50 71.68 3djf s THR 74 CO 0.00 -0.40 0.65 -0.22 -0.54 0.00 0.00 174.62 174.10 3djf s LEU 75 N -3.46 -1.22 -1.46 4.79 2.96 0.22 -0.65 118.68 119.86 3djf s LEU 75 Ca 0.28 1.27 -0.05 0.00 -0.22 0.00 0.00 54.13 55.41 3djf s LEU 75 Cb -0.01 2.22 0.02 0.00 0.50 0.00 0.00 46.19 48.93 3djf s LEU 75 CO 0.12 -0.23 0.49 -1.20 -1.32 0.00 0.00 176.35 174.21 3djf n SER 76 N 5.43 -5.26 0.00 3.68 7.64 -1.26 -1.09 113.62 122.75 3djf n SER 76 Ca -0.08 -0.26 0.00 0.00 1.01 0.00 0.00 58.87 59.54 3djf n SER 76 Cb 0.50 -4.30 0.00 0.00 -1.01 0.00 0.00 64.21 59.40 3djf n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3djf n GLY 77 N -1.34 0.43 3.62 0.23 0.00 -1.26 -4.63 105.19 102.24 3djf n GLY 77 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 3djf n GLY 77 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3djf s ARG 78 N -0.47 2.47 -0.22 1.61 1.81 -0.25 -5.07 118.95 118.82 3djf s ARG 78 Ca 0.00 -0.82 -0.24 0.00 -1.72 0.00 0.00 55.73 52.95 3djf s ARG 78 Cb 0.00 -2.48 -0.01 0.00 -0.45 0.00 0.00 34.95 32.01 3djf s ARG 78 CO 0.00 0.56 0.81 0.15 -0.68 0.00 0.00 175.30 176.15 3djf s LYS 79 N -1.86 4.21 0.23 3.54 1.02 -1.26 -0.61 119.74 125.02 3djf s LYS 79 Ca 0.21 0.94 0.07 0.00 0.02 0.00 0.00 55.97 57.20 3djf s LYS 79 Cb -0.11 -3.62 -0.05 0.00 -0.52 0.00 0.00 37.83 33.52 3djf s LYS 79 CO 0.12 -0.45 -0.09 0.14 -0.92 0.00 0.00 175.35 174.15 3djf s VAL 80 N 2.59 1.58 -0.03 3.17 -7.23 -0.41 -0.80 120.40 119.27 3djf s VAL 80 Ca 0.35 -2.15 0.04 0.00 -1.81 0.00 0.00 61.98 58.41 3djf s VAL 80 Cb -0.16 -2.21 -0.00 0.00 0.56 0.00 0.00 36.38 34.57 3djf s VAL 80 CO 0.09 -0.47 -0.14 0.54 -0.31 0.00 0.00 175.10 174.82 3djf s VAL 81 N -3.07 1.14 -0.14 1.32 0.11 -0.28 -2.77 120.40 116.72 3djf s VAL 81 Ca 0.25 -0.56 0.02 0.00 -2.93 0.00 0.00 61.98 58.76 3djf s VAL 81 Cb 0.02 -0.99 0.00 0.00 -1.53 0.00 0.00 36.38 33.88 3djf s VAL 81 CO 0.08 0.34 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.30 3djf s VAL 82 N 0.08 2.30 -0.30 2.04 1.01 0.20 -1.03 120.40 124.70 3djf s VAL 82 Ca -0.03 -0.91 -0.21 0.00 0.00 0.00 0.00 61.98 60.84 3djf s VAL 82 Cb -0.10 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 3djf s VAL 82 CO 0.01 0.54 0.65 -0.04 0.00 0.00 0.00 175.10 176.26 3djf s MET 83 N 0.72 3.91 -0.46 2.72 -1.94 0.60 -1.22 119.30 123.64 3djf s MET 83 Ca -0.08 0.34 -0.08 0.00 -1.71 0.00 0.00 55.69 54.15 3djf s MET 83 Cb -0.16 -3.73 0.12 0.00 2.01 0.00 0.00 34.83 33.07 3djf s MET 83 CO 0.01 -0.58 0.33 -1.14 -0.01 0.00 0.00 175.02 173.62 3djf s GLN 84 N 2.66 2.43 0.00 2.03 0.74 -0.17 -3.03 119.66 124.31 3djf s GLN 84 Ca 0.26 -1.76 0.00 0.00 0.05 0.00 0.00 55.36 53.91 3djf s GLN 84 Cb -0.15 -3.88 0.00 0.00 1.10 0.00 0.00 33.01 30.08 3djf s GLN 84 CO 0.12 -1.17 0.00 0.41 -0.55 0.00 0.00 175.29 174.09 3djf n GLY 85 N 4.87 1.91 3.95 2.59 0.00 -1.26 -1.45 105.19 115.81 3djf n GLY 85 Ca -0.07 -0.92 -0.20 0.00 0.00 0.00 0.00 46.02 44.83 3djf n GLY 85 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3djf s ARG 86 N -2.22 2.59 -0.25 1.61 0.52 -1.26 -4.92 118.95 115.02 3djf s ARG 86 Ca 0.00 -1.48 0.02 0.00 -0.52 0.00 0.00 55.73 53.74 3djf s ARG 86 Cb 0.00 -2.53 0.05 0.00 0.52 0.00 0.00 34.95 32.99 3djf s ARG 86 CO 0.00 -0.34 -0.11 -0.06 0.02 0.00 0.00 175.30 174.81 3djf s PHE 87 N -2.48 3.17 -0.08 -0.53 0.08 -1.26 -4.92 117.98 111.97 3djf s PHE 87 Ca 0.51 -2.09 -0.04 0.00 0.12 0.00 0.00 56.93 55.44 3djf s PHE 87 Cb -0.06 -1.96 -0.04 0.00 -0.57 0.00 0.00 43.02 40.39 3djf s PHE 87 CO 0.31 -0.84 0.08 -1.01 -0.10 0.00 0.00 175.22 173.65 3djf s HIS 88 N 1.17 3.37 0.29 0.36 3.76 -1.26 -4.92 115.29 118.07 3djf s HIS 88 Ca -0.05 0.33 -0.01 0.00 -0.15 0.00 0.00 55.06 55.18 3djf s HIS 88 Cb -0.19 -1.84 0.43 0.00 1.11 0.00 0.00 32.58 32.10 3djf s HIS 88 CO -0.06 0.60 1.88 0.52 -0.85 0.00 0.00 174.74 176.83 3djf h MET 89 N 4.79 0.90 0.00 1.40 0.00 -1.88 -1.48 114.93 118.66 3djf h MET 89 Ca -0.52 -0.14 0.00 0.00 0.00 0.00 0.00 59.70 59.04 3djf h MET 89 Cb 1.20 -0.16 0.00 0.00 0.00 0.00 0.00 31.60 32.65 3djf h MET 89 CO 0.58 0.73 0.00 0.10 0.00 0.00 0.00 176.91 178.32 3djf h TYR 90 N 0.88 0.00 0.00 -0.22 -0.00 -1.89 0.30 116.97 116.04 3djf h TYR 90 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.94 3djf h TYR 90 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.89 3djf h TYR 90 CO 0.01 0.00 0.00 0.39 -0.00 0.00 0.00 178.16 178.56 3djf n GLU 91 N -3.07 0.22 0.00 0.10 -0.58 -0.56 -4.84 120.64 111.92 3djf n GLU 91 Ca -0.03 0.25 0.00 0.00 -0.42 0.00 0.00 57.16 56.96 3djf n GLU 91 Cb 0.07 -1.79 0.00 0.00 -0.57 0.00 0.00 31.44 29.15 3djf n GLU 91 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3djf n GLY 92 N 0.94 0.95 3.77 0.62 0.00 0.09 -5.08 105.19 106.49 3djf n GLY 92 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 3djf n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3djf s TYR 93 N -2.00 2.72 0.72 1.61 2.02 -1.25 -5.01 117.35 116.15 3djf s TYR 93 Ca 0.00 1.53 -0.11 0.00 -0.37 0.00 0.00 57.07 58.12 3djf s TYR 93 Cb 0.00 -3.35 0.02 0.00 -0.40 0.00 0.00 41.96 38.23 3djf s TYR 93 CO 0.00 -1.62 1.08 -1.54 -1.57 0.00 0.00 175.55 171.89 3djf s SER 94 N -1.57 5.24 0.24 2.29 1.04 -1.26 -4.82 113.70 114.86 3djf s SER 94 Ca 0.69 1.36 -0.04 0.00 0.48 0.00 0.00 55.95 58.44 3djf s SER 94 Cb -0.27 -2.19 0.44 0.00 0.10 0.00 0.00 66.02 64.10 3djf s SER 94 CO 0.31 -1.50 1.77 0.78 0.98 0.00 0.00 173.24 175.58 3djf h ASN 95 N -0.76 0.47 -0.53 7.02 2.35 -1.95 -1.83 115.58 120.35 3djf h ASN 95 Ca -0.45 0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 55.30 3djf h ASN 95 Cb 1.24 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.59 3djf h ASN 95 CO 0.60 0.23 0.02 0.44 -1.65 0.00 0.00 177.43 177.08 3djf h ASP 96 N 0.60 0.89 -0.06 5.81 3.32 -1.91 -1.22 116.42 123.86 3djf h ASP 96 Ca 0.41 -0.29 0.01 0.00 0.02 0.00 0.00 57.03 57.17 3djf h ASP 96 Cb 0.52 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3djf h ASP 96 CO -0.33 0.97 0.00 0.74 -1.72 0.00 0.00 179.24 178.90 3djf h THR 97 N 0.79 0.97 -0.30 0.35 2.02 -1.71 -1.40 112.91 113.62 3djf h THR 97 Ca 0.15 -0.01 -0.05 0.00 0.77 0.00 0.00 66.41 67.27 3djf h THR 97 Cb 0.49 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 3djf h THR 97 CO 0.02 0.00 -0.03 0.58 0.37 0.00 0.00 175.52 176.47 3djf h VAL 98 N 0.02 1.20 0.03 3.16 2.07 -1.24 -3.20 116.25 118.29 3djf h VAL 98 Ca 0.03 -0.80 -0.22 0.00 0.82 0.00 0.00 66.70 66.53 3djf h VAL 98 Cb 0.03 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 3djf h VAL 98 CO -0.04 0.27 -0.98 0.00 0.02 0.00 0.00 177.57 176.84 3djf h ALA 99 N 1.52 0.38 -0.42 1.67 0.00 -0.93 -3.38 119.26 118.10 3djf h ALA 99 Ca 0.10 -0.77 0.05 0.00 0.00 0.00 0.00 54.91 54.29 3djf h ALA 99 Cb 0.35 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3djf h ALA 99 CO 0.01 0.92 0.16 1.25 0.00 0.00 0.00 179.25 181.60 3djf h LEU 100 N 0.12 0.20 -1.08 0.00 6.46 -1.25 -2.12 115.31 117.64 3djf h LEU 100 Ca -0.07 0.04 0.05 0.00 -0.12 0.00 0.00 57.88 57.78 3djf h LEU 100 Cb 1.64 0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 41.52 3djf h LEU 100 CO 0.16 0.15 0.62 -0.65 -0.62 0.00 0.00 178.44 178.10 3djf h PRO 101 N 0.34 1.12 -0.39 5.25 0.11 -1.74 0.15 132.00 136.84 3djf h PRO 101 Ca 0.19 -0.07 -0.15 0.00 0.11 0.00 0.00 66.00 66.08 3djf h PRO 101 Cb 0.16 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 3djf h PRO 101 CO -0.18 0.74 -0.35 0.82 -0.21 0.00 0.00 178.00 178.82 3djf h ILE 102 N 1.15 1.27 -0.12 4.15 1.08 -1.65 -2.13 117.51 121.27 3djf h ILE 102 Ca 0.39 -1.53 -0.10 0.00 -0.39 0.00 0.00 64.86 63.24 3djf h ILE 102 Cb 0.09 1.35 -0.01 0.00 -3.07 0.00 0.00 36.82 35.17 3djf h ILE 102 CO -0.14 0.51 -0.36 0.03 -0.69 0.00 0.00 178.15 177.51 3djf h ARG 103 N 0.75 0.24 -0.67 2.37 3.08 -0.78 -2.53 114.38 116.85 3djf h ARG 103 Ca 0.07 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 3djf h ARG 103 Cb 0.94 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.95 3djf h ARG 103 CO 0.09 0.57 0.25 0.28 -1.07 0.00 0.00 179.97 180.09 3djf h VAL 104 N 0.21 1.24 -0.61 2.04 2.07 -0.35 -2.60 116.25 118.25 3djf h VAL 104 Ca 0.02 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 3djf h VAL 104 Cb 0.73 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 3djf h VAL 104 CO 0.06 0.30 0.37 0.24 0.02 0.00 0.00 177.57 178.56 3djf h MET 105 N 0.97 0.82 -0.14 1.57 2.86 -0.98 -1.46 114.93 118.57 3djf h MET 105 Ca 0.22 -0.07 0.05 0.00 -2.06 0.00 0.00 59.70 57.84 3djf h MET 105 Cb 0.21 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 31.65 3djf h MET 105 CO -0.02 0.58 -0.20 -0.22 1.06 0.00 0.00 176.91 178.11 3djf h LYS 106 N 0.82 -0.25 0.00 1.72 1.63 -1.16 -1.16 116.57 118.17 3djf h LYS 106 Ca 0.22 0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 60.00 3djf h LYS 106 Cb -0.03 0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 31.65 3djf h LYS 106 CO -0.04 -0.16 -0.16 -0.07 -3.45 0.00 0.00 179.45 175.56 3djf h LEU 107 N -0.25 0.00 -0.26 5.20 3.38 -1.33 -2.64 115.31 119.41 3djf h LEU 107 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3djf h LEU 107 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3djf h LEU 107 CO -0.29 0.16 0.00 0.18 0.09 0.00 0.00 178.44 178.59 3djf n LEU 108 N -3.97 0.81 0.00 1.67 4.77 -0.52 -4.91 117.00 114.84 3djf n LEU 108 Ca -0.02 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 3djf n LEU 108 Cb 0.25 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 3djf n LEU 108 CO 0.33 -0.32 0.00 0.61 -1.33 0.00 0.00 177.39 176.68 3djf n GLY 109 N 0.86 1.22 3.68 -0.72 0.00 -0.81 -3.98 105.19 105.44 3djf n GLY 109 Ca 0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.62 3djf n GLY 109 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3djf n VAL 110 N 0.00 0.23 -0.04 1.61 0.31 -0.71 -4.53 118.33 115.20 3djf n VAL 110 Ca 0.00 -0.06 -0.03 0.00 -0.01 0.00 0.00 64.34 64.24 3djf n VAL 110 Cb 0.00 -1.64 -0.07 0.00 -0.91 0.00 0.00 33.84 31.22 3djf n VAL 110 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3djf n LYS 111 N 3.19 2.35 -4.39 5.55 4.76 0.27 -4.64 118.16 125.26 3djf n LYS 111 Ca 0.15 -0.01 -0.22 0.00 -2.87 0.00 0.00 58.31 55.36 3djf n LYS 111 Cb 0.31 -1.22 -0.16 0.00 -1.84 0.00 0.00 35.03 32.12 3djf n LYS 111 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3djf s ILE 112 N -2.25 0.85 -0.20 -0.18 1.01 -1.11 -1.50 121.20 117.81 3djf s ILE 112 Ca -0.04 -0.32 -0.06 0.00 0.00 0.00 0.00 60.65 60.23 3djf s ILE 112 Cb 0.03 -0.81 -0.03 0.00 0.01 0.00 0.00 42.46 41.66 3djf s ILE 112 CO 0.35 0.29 0.04 -0.22 0.00 0.00 0.00 174.94 175.40 3djf s LEU 113 N 0.74 3.52 -0.14 2.97 2.96 0.75 -0.28 118.68 129.21 3djf s LEU 113 Ca -0.13 -0.09 -0.01 0.00 -0.22 0.00 0.00 54.13 53.68 3djf s LEU 113 Cb -0.15 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.62 3djf s LEU 113 CO 0.02 0.09 -0.11 -0.04 -1.32 0.00 0.00 176.35 174.99 3djf s MET 114 N 0.89 3.43 -0.01 1.98 -1.94 0.12 -0.69 119.30 123.09 3djf s MET 114 Ca 0.03 -0.65 0.00 0.00 -1.71 0.00 0.00 55.69 53.35 3djf s MET 114 Cb -0.14 -2.70 0.01 0.00 2.01 0.00 0.00 34.83 34.01 3djf s MET 114 CO 0.02 0.20 0.01 0.54 -0.01 0.00 0.00 175.02 175.78 3djf s VAL 115 N 0.41 0.03 0.25 -6.03 0.11 -0.20 -0.92 120.40 114.04 3djf s VAL 115 Ca -0.09 0.07 0.10 0.00 -2.93 0.00 0.00 61.98 59.13 3djf s VAL 115 Cb -0.16 -0.09 -0.04 0.00 -1.53 0.00 0.00 36.38 34.57 3djf s VAL 115 CO 0.05 0.05 -0.04 -0.94 -3.33 0.00 0.00 175.10 170.89 3djf s SER 116 N 0.47 4.42 0.29 3.54 1.04 -1.16 -1.72 113.70 120.58 3djf s SER 116 Ca -0.04 -0.66 -0.12 0.00 0.48 0.00 0.00 55.95 55.61 3djf s SER 116 Cb -0.06 -0.78 0.01 0.00 0.10 0.00 0.00 66.02 65.28 3djf s SER 116 CO -0.01 0.03 0.55 0.54 0.98 0.00 0.00 173.24 175.32 3djf s ASN 117 N -3.49 0.11 -0.00 7.02 2.20 -0.61 -3.36 114.94 116.80 3djf s ASN 117 Ca 0.30 -1.04 -0.02 0.00 -0.94 0.00 0.00 52.86 51.17 3djf s ASN 117 Cb -0.07 0.65 -0.04 0.00 -2.00 0.00 0.00 41.25 39.80 3djf s ASN 117 CO 0.19 -1.27 0.15 0.00 -2.94 0.00 0.00 177.10 173.22 3djf s ALA 118 N -3.58 3.83 0.07 3.54 0.00 -1.26 -0.78 121.76 123.58 3djf s ALA 118 Ca 0.22 -0.80 -0.17 0.00 0.00 0.00 0.00 51.96 51.20 3djf s ALA 118 Cb -0.02 -1.78 0.03 0.00 0.00 0.00 0.00 23.12 21.36 3djf s ALA 118 CO 0.11 0.73 0.40 0.00 0.00 0.00 0.00 175.76 177.01 3djf s ALA 119 N -1.29 -0.97 0.30 0.00 0.00 -0.70 -4.74 121.76 114.37 3djf s ALA 119 Ca 0.26 0.17 -0.19 0.00 0.00 0.00 0.00 51.96 52.20 3djf s ALA 119 Cb -0.12 0.46 -0.09 0.00 0.00 0.00 0.00 23.12 23.37 3djf s ALA 119 CO 0.17 -0.52 0.79 0.20 0.00 0.00 0.00 175.76 176.41 3djf s GLY 120 N -2.28 2.50 -0.36 0.00 0.00 -0.05 -1.96 107.32 105.17 3djf s GLY 120 Ca -0.02 0.20 -0.18 0.00 0.00 0.00 0.00 44.72 44.71 3djf s GLY 120 CO -0.06 0.50 0.53 -0.32 0.00 0.00 0.00 173.10 173.76 3djf s GLY 121 N -1.96 1.81 -0.20 0.20 0.00 -0.19 -1.43 107.32 105.54 3djf s GLY 121 Ca 0.51 -1.01 -0.19 0.00 0.00 0.00 0.00 44.72 44.03 3djf s GLY 121 CO 0.19 1.31 0.08 1.04 0.00 0.00 0.00 173.10 175.72 3djf n LEU 122 N 5.80 1.86 -4.63 0.66 4.77 0.62 -1.02 117.00 125.05 3djf n LEU 122 Ca -0.04 0.45 -0.54 0.00 -0.03 0.00 0.00 56.01 55.85 3djf n LEU 122 Cb 0.49 -0.93 -0.06 0.00 -2.33 0.00 0.00 43.42 40.58 3djf n LEU 122 CO 0.46 0.16 1.05 -3.20 -1.33 0.00 0.00 177.39 174.53 3djf n ASN 123 N -4.45 1.90 0.00 -1.43 2.85 -0.55 -4.82 115.26 108.76 3djf n ASN 123 Ca -0.30 1.10 0.10 0.00 -0.11 0.00 0.00 54.58 55.38 3djf n ASN 123 Cb 0.62 -1.17 0.45 0.00 1.24 0.00 0.00 39.78 40.92 3djf n ASN 123 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3djf n ARG 124 N 3.54 0.05 0.00 1.20 5.12 -1.26 -2.24 116.66 123.07 3djf n ARG 124 Ca 0.21 0.14 0.12 0.00 -1.93 0.00 0.00 57.85 56.40 3djf n ARG 124 Cb 0.17 -1.50 0.28 0.00 -1.16 0.00 0.00 32.46 30.25 3djf n ARG 124 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3djf n SER 125 N -1.46 1.19 -4.82 0.55 3.41 -1.26 -4.93 113.62 106.29 3djf n SER 125 Ca 0.06 -0.98 -0.33 0.00 -0.26 0.00 0.00 58.87 57.36 3djf n SER 125 Cb 0.22 0.23 -0.06 0.00 -0.26 0.00 0.00 64.21 64.35 3djf n SER 125 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3djf s LEU 126 N -2.54 3.85 0.12 1.04 1.43 -0.95 -5.08 118.68 116.55 3djf s LEU 126 Ca 0.22 1.70 0.08 0.00 -1.03 0.00 0.00 54.13 55.10 3djf s LEU 126 Cb 0.19 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.84 3djf s LEU 126 CO 0.55 -0.49 -0.21 -0.54 0.23 0.00 0.00 176.35 175.90 3djf s LYS 127 N -3.40 1.18 0.16 1.70 1.02 -1.26 -5.06 119.74 114.08 3djf s LYS 127 Ca 0.62 -1.24 -0.32 0.00 0.02 0.00 0.00 55.97 55.05 3djf s LYS 127 Cb -0.10 -1.41 -0.17 0.00 -0.52 0.00 0.00 37.83 35.63 3djf s LYS 127 CO 0.18 0.32 0.97 -0.11 -0.92 0.00 0.00 175.35 175.79 3djf n LEU 128 N 0.87 0.59 0.00 3.17 7.94 -1.26 -1.55 117.00 126.76 3djf n LEU 128 Ca -0.18 1.15 0.00 0.00 -1.11 0.00 0.00 56.01 55.87 3djf n LEU 128 Cb 0.54 -1.10 0.00 0.00 0.53 0.00 0.00 43.42 43.39 3djf n LEU 128 CO 0.24 -1.84 0.00 0.61 -1.11 0.00 0.00 177.39 175.29 3djf n GLY 129 N 1.83 1.82 3.73 -3.96 0.00 0.19 -5.02 105.19 103.77 3djf n GLY 129 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3djf n GLY 129 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3djf s ASP 130 N -3.39 4.28 -0.22 1.61 1.01 -0.60 -4.73 116.67 114.64 3djf s ASP 130 Ca 0.00 2.26 -0.07 0.00 0.71 0.00 0.00 52.55 55.45 3djf s ASP 130 Cb 0.00 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.32 3djf s ASP 130 CO 0.00 -2.20 0.05 -0.36 0.21 0.00 0.00 175.17 172.87 3djf s PHE 131 N -2.12 3.12 -0.37 4.23 2.99 0.16 -1.14 117.98 124.85 3djf s PHE 131 Ca 0.72 -0.27 -0.02 0.00 0.00 0.00 0.00 56.93 57.37 3djf s PHE 131 Cb -0.27 -2.15 0.09 0.00 0.00 0.00 0.00 43.02 40.69 3djf s PHE 131 CO 0.46 -0.17 0.12 0.08 -0.00 0.00 0.00 175.22 175.71 3djf s VAL 132 N 1.09 3.07 0.12 -0.44 1.01 0.92 -0.31 120.40 125.86 3djf s VAL 132 Ca 0.04 -1.88 -0.31 0.00 0.00 0.00 0.00 61.98 59.82 3djf s VAL 132 Cb -0.14 -3.02 -0.09 0.00 0.00 0.00 0.00 36.38 33.13 3djf s VAL 132 CO 0.03 -0.50 1.64 -0.63 0.00 0.00 0.00 175.10 175.64 3djf s ILE 133 N 1.14 2.77 0.04 2.22 1.01 0.24 -0.60 121.20 128.01 3djf s ILE 133 Ca 0.04 0.41 -0.30 0.00 0.00 0.00 0.00 60.65 60.80 3djf s ILE 133 Cb -0.21 -3.26 -0.06 0.00 0.01 0.00 0.00 42.46 38.93 3djf s ILE 133 CO -0.04 0.01 1.41 -0.76 0.00 0.00 0.00 174.94 175.56 3djf s LEU 134 N 1.95 4.34 -0.00 2.97 1.02 -0.16 -1.27 118.68 127.53 3djf s LEU 134 Ca 0.73 2.19 0.10 0.00 0.02 0.00 0.00 54.13 57.17 3djf s LEU 134 Cb -0.42 -3.57 -0.11 0.00 0.02 0.00 0.00 46.19 42.10 3djf s LEU 134 CO 0.32 -0.70 0.42 2.29 0.02 0.00 0.00 176.35 178.70 3djf n LYS 135 N 4.96 3.40 -3.72 1.70 2.85 -0.62 -4.72 118.16 122.01 3djf n LYS 135 Ca 0.13 -0.01 -0.03 0.00 -1.05 0.00 0.00 58.31 57.35 3djf n LYS 135 Cb 0.43 -1.00 -0.01 0.00 -0.65 0.00 0.00 35.03 33.80 3djf n LYS 135 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3djf s ASP 136 N -2.05 -0.17 0.15 -5.58 2.15 -1.24 -4.58 116.67 105.35 3djf s ASP 136 Ca 0.03 -0.35 -0.06 0.00 0.43 0.00 0.00 52.55 52.60 3djf s ASP 136 Cb 0.08 0.44 -0.02 0.00 -0.30 0.00 0.00 42.92 43.12 3djf s ASP 136 CO 0.42 -0.81 0.20 -1.38 -0.17 0.00 0.00 175.17 173.43 3djf s HIS 137 N -3.17 0.53 -0.20 -5.34 -3.43 -1.26 -2.21 115.29 100.21 3djf s HIS 137 Ca 0.12 -0.90 0.00 0.00 -0.80 0.00 0.00 55.06 53.48 3djf s HIS 137 Cb -0.01 -0.19 0.05 0.00 -1.43 0.00 0.00 32.58 31.00 3djf s HIS 137 CO 0.01 -0.64 -0.06 0.42 -2.00 0.00 0.00 174.74 172.47 3djf s ILE 138 N -3.99 1.34 -1.10 -5.38 1.01 -0.28 -4.92 121.20 107.89 3djf s ILE 138 Ca 0.18 -0.91 -0.11 0.00 0.00 0.00 0.00 60.65 59.81 3djf s ILE 138 Cb 0.05 -1.55 0.24 0.00 0.01 0.00 0.00 42.46 41.21 3djf s ILE 138 CO -0.00 0.04 1.15 -0.47 0.00 0.00 0.00 174.94 175.66 3djf s TYR 139 N 1.51 4.00 0.16 3.97 6.04 -1.26 -1.94 117.35 129.83 3djf s TYR 139 Ca -0.02 -2.44 -0.15 0.00 0.04 0.00 0.00 57.07 54.50 3djf s TYR 139 Cb -0.17 -3.96 0.06 0.00 -1.04 0.00 0.00 41.96 36.85 3djf s TYR 139 CO -0.07 -1.08 1.80 -0.07 -1.54 0.00 0.00 175.55 174.59 3djf h LEU 140 N 7.64 0.41 -1.46 6.97 3.38 -1.97 -0.84 115.31 129.45 3djf h LEU 140 Ca 0.20 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.22 3djf h LEU 140 Cb 0.90 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 3djf h LEU 140 CO 1.04 0.29 0.41 -0.65 0.09 0.00 0.00 178.44 179.62 3djf h PRO 141 N 0.52 0.67 -0.28 1.13 0.11 -1.91 -2.66 132.00 129.58 3djf h PRO 141 Ca 0.18 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.18 3djf h PRO 141 Cb 0.02 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 30.97 3djf h PRO 141 CO -0.09 0.45 -0.08 0.78 -0.21 0.00 0.00 178.00 178.85 3djf h GLY 142 N 0.69 0.59 1.37 -0.55 0.00 -1.43 -0.06 103.07 103.70 3djf h GLY 142 Ca 0.25 -0.50 0.08 0.00 0.00 0.00 0.00 47.33 47.16 3djf h GLY 142 CO -0.07 0.46 0.24 1.41 0.00 0.00 0.00 176.54 178.58 3djf h LEU 143 N 0.30 0.00 -3.41 3.11 3.38 -1.04 -2.93 115.31 114.72 3djf h LEU 143 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3djf h LEU 143 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3djf h LEU 143 CO 0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.17 3djf n GLY 144 N -1.48 2.96 2.03 0.83 0.00 -0.93 -4.93 105.19 103.66 3djf n GLY 144 Ca 0.03 -0.91 -0.00 0.00 0.00 0.00 0.00 46.02 45.14 3djf n GLY 144 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3djf n LEU 145 N 0.76 -0.02 -1.00 0.99 7.94 -1.11 -4.92 117.00 119.65 3djf n LEU 145 Ca 0.27 0.01 -0.02 0.00 -1.11 0.00 0.00 56.01 55.16 3djf n LEU 145 Cb 1.08 -0.58 0.19 0.00 0.53 0.00 0.00 43.42 44.64 3djf n LEU 145 CO 0.29 -0.04 0.50 0.59 -1.11 0.00 0.00 177.39 177.62 3djf n ASN 146 N 1.15 2.41 -4.76 1.96 3.02 -0.08 -5.00 115.26 113.96 3djf n ASN 146 Ca -0.00 -3.85 -0.41 0.00 -0.03 0.00 0.00 54.58 50.28 3djf n ASN 146 Cb 0.02 -0.56 -0.02 0.00 -0.61 0.00 0.00 39.78 38.61 3djf n ASN 146 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3djf s ASN 147 N -2.97 6.52 0.63 6.41 3.84 -1.23 -4.45 114.94 123.69 3djf s ASN 147 Ca 0.42 2.84 0.33 0.00 0.21 0.00 0.00 52.86 56.67 3djf s ASN 147 Cb 0.39 -2.64 1.86 0.00 -0.55 0.00 0.00 41.25 40.31 3djf s ASN 147 CO -0.03 -0.78 2.12 -0.29 -2.79 0.00 0.00 177.10 175.33 3djf h ILE 148 N 3.30 0.22 -0.01 -5.21 2.10 -1.94 -1.21 117.51 114.77 3djf h ILE 148 Ca -0.48 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.46 3djf h ILE 148 Cb 1.22 0.83 0.00 0.00 -1.09 0.00 0.00 36.82 37.78 3djf h ILE 148 CO 0.74 0.00 -0.13 0.18 -1.08 0.00 0.00 178.15 177.86 3djf n LEU 149 N -3.36 1.27 -4.75 2.19 4.77 -1.26 -4.82 117.00 111.03 3djf n LEU 149 Ca -0.00 -0.38 -0.42 0.00 -0.03 0.00 0.00 56.01 55.18 3djf n LEU 149 Cb 0.28 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.29 3djf n LEU 149 CO 0.22 0.22 1.24 0.52 -1.33 0.00 0.00 177.39 178.26 3djf n VAL 150 N -0.23 1.08 0.00 4.08 0.31 -0.46 -4.76 118.33 118.34 3djf n VAL 150 Ca 0.16 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 3djf n VAL 150 Cb 0.35 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 31.31 3djf n VAL 150 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3djf n GLY 151 N 2.07 1.10 3.66 2.92 0.00 -1.26 -5.03 105.19 108.66 3djf n GLY 151 Ca 0.08 -2.26 -0.45 0.00 0.00 0.00 0.00 46.02 43.40 3djf n GLY 151 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3djf n PRO 152 N -0.73 1.95 -2.51 1.61 -0.02 -1.26 -4.92 135.00 129.12 3djf n PRO 152 Ca 0.00 0.69 -0.41 0.00 -2.02 0.00 0.00 63.50 61.76 3djf n PRO 152 Cb 0.00 -2.30 -0.04 0.00 -0.02 0.00 0.00 33.50 31.14 3djf n PRO 152 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3djf s ASN 153 N 0.10 7.26 -0.72 2.55 2.47 -1.26 -5.00 114.94 120.34 3djf s ASN 153 Ca 0.65 2.10 -0.21 0.00 0.42 0.00 0.00 52.86 55.83 3djf s ASN 153 Cb -0.65 -2.61 0.10 0.00 -1.45 0.00 0.00 41.25 36.64 3djf s ASN 153 CO 0.53 -0.22 0.95 -1.10 -3.72 0.00 0.00 177.10 173.54 3djf s GLN 154 N -0.42 3.24 0.50 0.43 -1.52 -1.26 -4.90 119.66 115.73 3djf s GLN 154 Ca 0.49 -1.22 0.23 0.00 -1.95 0.00 0.00 55.36 52.90 3djf s GLN 154 Cb -0.30 -4.43 1.31 0.00 -0.22 0.00 0.00 33.01 29.37 3djf s GLN 154 CO 0.35 -1.74 2.06 0.93 -0.25 0.00 0.00 175.29 176.64 3djf h GLU 155 N 9.26 0.00 -0.03 2.91 4.39 -1.95 -2.02 114.58 127.13 3djf h GLU 155 Ca -0.16 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.55 3djf h GLU 155 Cb 1.06 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.71 3djf h GLU 155 CO 1.14 0.14 0.03 0.00 -1.16 0.00 0.00 179.01 179.15 3djf h ALA 156 N 1.86 1.70 0.00 3.43 0.00 -2.01 -3.06 119.26 121.19 3djf h ALA 156 Ca -0.00 -0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.54 3djf h ALA 156 Cb 0.30 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 3djf h ALA 156 CO 0.02 -0.04 -2.38 1.19 0.00 0.00 0.00 179.25 178.04 3djf n PHE 157 N -4.04 0.00 -3.99 0.00 3.72 -0.78 -5.09 117.46 107.27 3djf n PHE 157 Ca -0.02 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.42 3djf n PHE 157 Cb 0.12 -0.99 0.01 0.00 -0.94 0.00 0.00 39.48 37.68 3djf n PHE 157 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3djf s GLY 158 N -5.50 -0.23 0.71 1.37 0.00 -1.13 -3.73 107.32 98.81 3djf s GLY 158 Ca -0.11 0.22 -0.10 0.00 0.00 0.00 0.00 44.72 44.73 3djf s GLY 158 CO 0.81 6.27 1.08 -1.08 0.00 0.00 0.00 173.10 180.18 3djf s THR 159 N -2.01 3.16 0.13 0.90 -1.32 -1.26 -4.19 115.64 111.05 3djf s THR 159 Ca 0.31 0.27 -0.13 0.00 -1.21 0.00 0.00 61.69 60.93 3djf s THR 159 Cb 0.01 -3.35 -0.04 0.00 -1.51 0.00 0.00 72.50 67.60 3djf s THR 159 CO -0.03 -0.45 1.49 -0.09 -2.21 0.00 0.00 174.62 173.33 3djf h ARG 160 N -0.66 0.83 -3.15 7.08 9.65 -1.98 -3.38 114.38 122.77 3djf h ARG 160 Ca -0.45 -0.38 -0.63 0.00 -1.10 0.00 0.00 59.98 57.42 3djf h ARG 160 Cb 1.27 -0.01 -0.41 0.00 -1.39 0.00 0.00 29.97 29.43 3djf h ARG 160 CO 0.64 1.02 -0.61 -0.06 2.80 0.00 0.00 179.97 183.75 3djf s PHE 161 N -4.55 3.30 0.31 2.20 0.08 -1.26 -5.04 117.98 113.02 3djf s PHE 161 Ca -0.12 -3.22 -0.28 0.00 0.12 0.00 0.00 56.93 53.43 3djf s PHE 161 Cb 0.10 -2.65 -0.09 0.00 -0.57 0.00 0.00 43.02 39.81 3djf s PHE 161 CO 0.84 -0.63 1.07 -2.14 -0.10 0.00 0.00 175.22 174.27 3djf s PRO 162 N -0.97 4.51 0.32 0.24 0.02 -1.26 -5.05 135.00 132.82 3djf s PRO 162 Ca 0.22 1.70 -0.07 0.00 0.02 0.00 0.00 61.00 62.87 3djf s PRO 162 Cb -0.12 -3.00 -0.06 0.00 0.02 0.00 0.00 34.50 31.34 3djf s PRO 162 CO -0.11 0.13 0.62 0.00 -0.33 0.00 0.00 177.00 177.31 3djf s ALA 163 N -1.31 3.54 -0.31 -1.55 0.00 -1.26 -5.01 121.76 115.85 3djf s ALA 163 Ca 0.48 -0.43 0.07 0.00 0.00 0.00 0.00 51.96 52.08 3djf s ALA 163 Cb -0.29 -2.43 0.46 0.00 0.00 0.00 0.00 23.12 20.86 3djf s ALA 163 CO 0.36 0.19 1.29 1.28 0.00 0.00 0.00 175.76 178.88 3djf n LEU 164 N -0.97 4.86 0.09 0.00 4.77 -1.26 -4.90 117.00 119.59 3djf n LEU 164 Ca -0.00 -4.55 -0.08 0.00 -0.03 0.00 0.00 56.01 51.35 3djf n LEU 164 Cb 0.54 -0.44 -0.05 0.00 -2.33 0.00 0.00 43.42 41.14 3djf n LEU 164 CO 0.48 1.91 0.51 -1.28 -1.33 0.00 0.00 177.39 177.68 3djf h SER 165 N 1.95 -0.70 -1.79 -1.43 0.87 -2.04 -3.07 113.55 107.33 3djf h SER 165 Ca 0.34 0.07 -0.66 0.00 -1.23 0.00 0.00 61.79 60.31 3djf h SER 165 Cb 1.41 0.25 -0.37 0.00 -0.44 0.00 0.00 62.40 63.25 3djf h SER 165 CO 0.72 -0.29 -0.09 -3.20 -0.53 0.00 0.00 176.83 173.44 3djf n ASN 166 N -3.83 5.67 -0.33 6.23 5.15 -1.26 -4.86 115.26 122.04 3djf n ASN 166 Ca -0.05 -3.75 0.07 0.00 -0.60 0.00 0.00 54.58 50.25 3djf n ASN 166 Cb 0.21 -0.69 0.23 0.00 -0.53 0.00 0.00 39.78 39.00 3djf n ASN 166 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3djf h ALA 167 N 2.85 1.41 -2.85 5.20 0.00 -1.89 -3.23 119.26 120.75 3djf h ALA 167 Ca 0.37 0.05 -0.78 0.00 0.00 0.00 0.00 54.91 54.55 3djf h ALA 167 Cb 0.57 -0.12 -0.27 0.00 0.00 0.00 0.00 17.79 17.97 3djf h ALA 167 CO 1.04 0.07 0.07 0.71 0.00 0.00 0.00 179.25 181.14 3djf s TYR 168 N -5.96 3.76 -0.49 0.00 1.51 -1.26 -4.26 117.35 110.65 3djf s TYR 168 Ca -0.12 -2.12 -0.45 0.00 -1.01 0.00 0.00 57.07 53.37 3djf s TYR 168 Cb 0.22 -3.75 -0.19 0.00 -0.11 0.00 0.00 41.96 38.13 3djf s TYR 168 CO 0.79 -0.97 1.72 -3.47 -1.11 0.00 0.00 175.55 172.52 3djf n ASP 169 N 3.82 1.03 0.07 2.29 2.03 -1.12 -4.81 116.55 119.85 3djf n ASP 169 Ca 0.14 0.99 0.05 0.00 0.52 0.00 0.00 54.79 56.49 3djf n ASP 169 Cb 0.46 -0.86 0.47 0.00 -0.72 0.00 0.00 41.12 40.46 3djf n ASP 169 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 3djf h ARG 170 N 6.11 0.40 -0.41 -0.67 0.11 -1.93 -1.97 114.38 116.02 3djf h ARG 170 Ca -0.32 -0.03 -0.12 0.00 0.10 0.00 0.00 59.98 59.61 3djf h ARG 170 Cb 1.35 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 32.33 3djf h ARG 170 CO 0.99 0.28 -0.20 -0.44 0.10 0.00 0.00 179.97 180.70 3djf h ASP 171 N 0.40 0.89 -0.53 0.08 3.32 -2.00 -1.26 116.42 117.33 3djf h ASP 171 Ca 0.11 -0.41 -0.06 0.00 0.02 0.00 0.00 57.03 56.70 3djf h ASP 171 Cb -0.01 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 3djf h ASP 171 CO -0.02 1.10 0.13 -0.07 -1.72 0.00 0.00 179.24 178.66 3djf h LEU 172 N 0.68 0.84 -0.36 1.55 3.38 -1.81 -1.50 115.31 118.09 3djf h LEU 172 Ca 0.09 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3djf h LEU 172 Cb 0.76 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3djf h LEU 172 CO 0.06 0.82 0.08 0.03 0.09 0.00 0.00 178.44 179.53 3djf h ARG 173 N 0.86 0.57 -0.67 1.13 3.08 -1.21 -0.95 114.38 117.19 3djf h ARG 173 Ca 0.18 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3djf h ARG 173 Cb 0.32 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 3djf h ARG 173 CO 0.00 0.62 0.42 -0.22 -1.07 0.00 0.00 179.97 179.72 3djf h LYS 174 N 0.43 0.89 -0.16 0.04 3.64 -1.06 -1.72 116.57 118.63 3djf h LYS 174 Ca 0.11 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3djf h LYS 174 Cb 0.31 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3djf h LYS 174 CO 0.00 0.61 0.09 1.25 -2.27 0.00 0.00 179.45 179.14 3djf h LEU 175 N 0.90 0.19 -1.10 5.20 5.85 -1.04 -1.23 115.31 124.09 3djf h LEU 175 Ca 0.24 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3djf h LEU 175 Cb -0.06 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 3djf h LEU 175 CO -0.05 0.20 0.44 0.00 -0.34 0.00 0.00 178.44 178.69 3djf h ALA 176 N 1.00 1.32 -0.55 1.25 0.00 -0.89 -0.17 119.26 121.22 3djf h ALA 176 Ca 0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3djf h ALA 176 Cb 0.05 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3djf h ALA 176 CO -0.01 0.57 0.20 0.28 0.00 0.00 0.00 179.25 180.28 3djf h VAL 177 N 1.07 1.23 -0.57 0.00 2.07 -1.11 -1.87 116.25 117.06 3djf h VAL 177 Ca 0.27 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 3djf h VAL 177 Cb -0.00 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 3djf h VAL 177 CO -0.05 0.28 0.34 1.56 0.02 0.00 0.00 177.57 179.72 3djf h GLN 178 N 0.76 0.79 -0.27 1.57 4.20 0.02 -1.20 115.11 120.98 3djf h GLN 178 Ca 0.18 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 3djf h GLN 178 Cb 0.24 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3djf h GLN 178 CO -0.01 0.58 0.10 0.28 -0.67 0.00 0.00 178.83 179.11 3djf h VAL 179 N 0.77 1.19 -0.53 -0.54 2.07 -0.95 -1.53 116.25 116.72 3djf h VAL 179 Ca 0.20 -0.58 0.07 0.00 0.82 0.00 0.00 66.70 67.22 3djf h VAL 179 Cb 0.01 1.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 3djf h VAL 179 CO -0.04 0.19 0.19 0.00 0.02 0.00 0.00 177.57 177.94 3djf h ALA 180 N 0.93 0.66 -0.41 1.67 0.00 -1.20 -2.20 119.26 118.71 3djf h ALA 180 Ca 0.09 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3djf h ALA 180 Cb 0.21 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3djf h ALA 180 CO -0.01 -0.20 0.22 0.93 0.00 0.00 0.00 179.25 180.19 3djf h GLU 181 N 0.38 0.57 0.00 0.00 4.39 -0.89 -1.27 114.58 117.76 3djf h GLU 181 Ca 0.26 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.89 3djf h GLU 181 Cb 0.29 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 3djf h GLU 181 CO -0.26 0.46 0.00 1.05 -1.16 0.00 0.00 179.01 179.10 3djf h GLU 182 N 0.53 0.00 -0.61 2.33 4.11 -1.17 -2.83 114.58 116.94 3djf h GLU 182 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.57 3djf h GLU 182 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3djf h GLU 182 CO -0.02 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.15 3djf n ASN 183 N -2.33 4.36 -0.19 3.06 4.13 -0.84 -4.97 115.26 118.48 3djf n ASN 183 Ca 0.05 -2.35 -0.02 0.00 1.68 0.00 0.00 54.58 53.94 3djf n ASN 183 Cb 0.42 -0.52 -0.01 0.00 -1.54 0.00 0.00 39.78 38.13 3djf n ASN 183 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3djf n GLY 184 N 1.05 0.50 0.71 7.41 0.00 -0.97 -4.92 105.19 108.97 3djf n GLY 184 Ca 0.24 -0.95 0.05 0.00 0.00 0.00 0.00 46.02 45.36 3djf n GLY 184 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3djf n PHE 185 N -3.13 0.00 0.27 1.61 1.16 -0.52 -4.82 117.46 112.03 3djf n PHE 185 Ca -0.02 -0.78 0.17 0.00 -1.87 0.00 0.00 57.45 54.94 3djf n PHE 185 Cb 0.16 -0.16 0.81 0.00 -1.61 0.00 0.00 39.48 38.68 3djf n PHE 185 CO 0.00 0.00 0.00 0.78 -1.87 0.00 0.00 176.76 175.67 3djf h GLY 186 N 0.56 0.00 2.00 4.97 0.00 -1.71 -1.41 103.07 107.47 3djf h GLY 186 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 3djf h GLY 186 CO 0.03 0.00 0.00 3.45 0.00 0.00 0.00 176.54 180.02 3djf h ASN 187 N 0.00 0.00 0.74 0.19 -1.07 -1.90 -2.98 115.58 110.57 3djf h ASN 187 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.42 3djf h ASN 187 Cb 0.74 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.99 3djf h ASN 187 CO -0.00 0.00 -0.50 0.18 0.07 0.00 0.00 177.43 177.18 3djf n LEU 188 N -2.32 0.55 -4.57 6.14 4.77 -0.53 -4.92 117.00 116.12 3djf n LEU 188 Ca 0.04 0.17 -0.37 0.00 -0.03 0.00 0.00 56.01 55.82 3djf n LEU 188 Cb 0.36 -0.24 -0.11 0.00 -2.33 0.00 0.00 43.42 41.10 3djf n LEU 188 CO 0.27 0.02 -0.22 -0.69 -1.33 0.00 0.00 177.39 175.44 3djf s VAL 189 N -3.08 4.96 0.43 4.08 1.01 -1.13 -0.67 120.40 126.00 3djf s VAL 189 Ca 0.09 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.16 3djf s VAL 189 Cb 0.16 -3.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 3djf s VAL 189 CO 0.69 0.33 0.02 -1.00 0.00 0.00 0.00 175.10 175.14 3djf s HIS 190 N 1.32 2.21 0.01 5.22 3.76 0.58 -4.99 115.29 123.40 3djf s HIS 190 Ca 0.06 -0.83 0.05 0.00 -0.15 0.00 0.00 55.06 54.20 3djf s HIS 190 Cb -0.15 -1.64 -0.02 0.00 1.11 0.00 0.00 32.58 31.89 3djf s HIS 190 CO 0.06 0.29 -0.16 -0.65 -0.85 0.00 0.00 174.74 173.42 3djf s GLN 191 N -3.78 1.18 0.13 1.40 -0.21 -1.26 -0.59 119.66 116.53 3djf s GLN 191 Ca 0.25 -0.69 -0.13 0.00 0.02 0.00 0.00 55.36 54.82 3djf s GLN 191 Cb 0.07 -1.19 0.05 0.00 1.00 0.00 0.00 33.01 32.94 3djf s GLN 191 CO 0.13 0.31 0.61 0.41 -2.12 0.00 0.00 175.29 174.63 3djf n GLY 192 N 2.29 0.95 3.72 3.09 0.00 -0.39 -4.91 105.19 109.93 3djf n GLY 192 Ca -0.16 -1.08 -0.36 0.00 0.00 0.00 0.00 46.02 44.42 3djf n GLY 192 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3djf s VAL 193 N -2.29 5.35 -0.19 1.61 1.01 -1.26 -1.58 120.40 123.05 3djf s VAL 193 Ca 0.13 0.36 -0.07 0.00 0.00 0.00 0.00 61.98 62.40 3djf s VAL 193 Cb -0.02 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 3djf s VAL 193 CO 0.04 0.40 0.07 -0.47 0.00 0.00 0.00 175.10 175.13 3djf s TYR 194 N 0.55 3.23 -0.10 5.22 6.14 -0.94 -0.38 117.35 131.06 3djf s TYR 194 Ca 0.12 0.02 -0.01 0.00 0.64 0.00 0.00 57.07 57.84 3djf s TYR 194 Cb -0.12 -2.10 -0.03 0.00 0.42 0.00 0.00 41.96 40.13 3djf s TYR 194 CO 0.02 0.09 -0.06 0.54 0.64 0.00 0.00 175.55 176.77 3djf s VAL 195 N 0.55 3.70 -0.21 3.14 0.11 -0.64 -1.13 120.40 125.93 3djf s VAL 195 Ca 0.03 -0.46 -0.17 0.00 -2.93 0.00 0.00 61.98 58.46 3djf s VAL 195 Cb -0.13 -2.56 -0.04 0.00 -1.53 0.00 0.00 36.38 32.13 3djf s VAL 195 CO 0.01 0.56 0.45 -0.32 -3.33 0.00 0.00 175.10 172.47 3djf s MET 196 N -0.29 4.15 -0.22 1.54 1.75 -0.82 -2.23 119.30 123.19 3djf s MET 196 Ca 0.04 0.28 -0.12 0.00 -1.25 0.00 0.00 55.69 54.64 3djf s MET 196 Cb -0.13 -3.57 -0.05 0.00 2.84 0.00 0.00 34.83 33.93 3djf s MET 196 CO 0.02 -0.14 0.22 1.21 -0.65 0.00 0.00 175.02 175.69 3djf s ASN 197 N 1.19 6.24 0.44 1.11 2.47 0.36 -3.79 114.94 122.96 3djf s ASN 197 Ca 0.21 0.26 0.19 0.00 0.42 0.00 0.00 52.86 53.94 3djf s ASN 197 Cb -0.15 -2.14 1.13 0.00 -1.45 0.00 0.00 41.25 38.64 3djf s ASN 197 CO 0.09 0.05 1.89 1.23 -3.72 0.00 0.00 177.10 176.65 3djf h GLY 198 N 7.32 0.66 0.00 1.21 0.00 -1.90 -3.36 103.07 107.00 3djf h GLY 198 Ca -0.38 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 46.79 3djf h GLY 198 CO 0.70 0.02 0.00 0.61 0.00 0.00 0.00 176.54 177.87 3djf n GLY 199 N -1.55 -2.48 0.82 4.60 0.00 -1.26 -3.97 105.19 101.35 3djf n GLY 199 Ca 0.17 -1.62 0.11 0.00 0.00 0.00 0.00 46.02 44.67 3djf n GLY 199 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3djf n PRO 200 N -0.55 2.08 -2.58 1.61 -0.05 -1.26 -4.86 135.00 129.39 3djf n PRO 200 Ca 0.00 -1.62 -0.37 0.00 -0.05 0.00 0.00 63.50 61.45 3djf n PRO 200 Cb 0.00 -1.44 -0.05 0.00 -0.05 0.00 0.00 33.50 31.96 3djf n PRO 200 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3djf s TYR 202 N -1.53 2.14 0.37 0.00 1.51 -1.26 -5.00 117.35 113.57 3djf s TYR 202 Ca 0.53 1.64 -0.26 0.00 -1.01 0.00 0.00 57.07 57.97 3djf s TYR 202 Cb -0.23 -3.28 -0.09 0.00 -0.11 0.00 0.00 41.96 38.24 3djf s TYR 202 CO 0.30 -2.33 1.15 -1.21 -1.11 0.00 0.00 175.55 172.35 3djf s GLU 203 N -4.41 4.22 0.76 -0.62 8.01 -1.26 -5.05 118.70 120.35 3djf s GLU 203 Ca 0.68 1.81 -0.11 0.00 0.01 0.00 0.00 54.97 57.36 3djf s GLU 203 Cb -0.23 -2.79 0.04 0.00 -4.31 0.00 0.00 34.13 26.84 3djf s GLU 203 CO 0.51 -0.17 1.08 0.95 0.01 0.00 0.00 175.26 177.64 3djf s THR 204 N -1.38 3.52 0.30 3.63 -4.23 -1.26 -4.84 115.64 111.38 3djf s THR 204 Ca 0.54 0.49 0.02 0.00 -1.18 0.00 0.00 61.69 61.57 3djf s THR 204 Cb -0.30 -3.15 0.29 0.00 1.34 0.00 0.00 72.50 70.67 3djf s THR 204 CO 0.39 -0.64 1.86 -0.65 -0.54 0.00 0.00 174.62 175.03 3djf h PRO 205 N -0.98 0.93 -0.45 3.99 0.11 -1.88 -1.17 132.00 132.54 3djf h PRO 205 Ca -0.45 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 3djf h PRO 205 Cb 1.24 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3djf h PRO 205 CO 0.56 0.61 0.12 0.00 -0.21 0.00 0.00 178.00 179.08 3djf h ALA 206 N 1.54 0.60 -0.55 -0.75 0.00 -1.87 -0.93 119.26 117.30 3djf h ALA 206 Ca 0.46 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.21 3djf h ALA 206 Cb 0.46 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3djf h ALA 206 CO -0.23 0.27 0.33 0.93 0.00 0.00 0.00 179.25 180.56 3djf h GLU 207 N 0.60 0.63 -0.30 0.00 5.08 -1.82 -1.62 114.58 117.15 3djf h GLU 207 Ca 0.14 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3djf h GLU 207 Cb 0.31 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3djf h GLU 207 CO -0.00 0.42 0.17 0.00 -1.00 0.00 0.00 179.01 178.60 3djf h THR 209 N 0.36 1.01 -0.04 0.00 2.02 -1.03 -0.47 112.91 114.76 3djf h THR 209 Ca 0.12 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 3djf h THR 209 Cb -0.00 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 66.76 3djf h THR 209 CO -0.05 0.11 0.02 -0.03 0.37 0.00 0.00 175.52 175.94 3djf h MET 210 N 0.60 0.06 -0.89 6.66 -1.53 -0.97 -1.89 114.93 116.97 3djf h MET 210 Ca 0.23 -0.01 0.01 0.00 -3.44 0.00 0.00 59.70 56.50 3djf h MET 210 Cb 0.09 -0.01 -0.05 0.00 -0.55 0.00 0.00 31.60 31.08 3djf h MET 210 CO -0.13 0.13 0.59 -0.07 0.14 0.00 0.00 176.91 177.57 3djf h LEU 211 N -0.03 1.01 -0.05 3.39 3.38 -0.66 -0.49 115.31 121.87 3djf h LEU 211 Ca 0.01 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3djf h LEU 211 Cb 0.09 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 3djf h LEU 211 CO -0.00 0.73 0.03 0.25 0.09 0.00 0.00 178.44 179.54 3djf h LEU 212 N 1.20 0.06 -2.40 1.67 5.85 -0.99 -1.57 115.31 119.12 3djf h LEU 212 Ca 0.33 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.01 3djf h LEU 212 Cb -0.12 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 40.89 3djf h LEU 212 CO -0.08 0.08 0.00 0.78 -0.34 0.00 0.00 178.44 178.88 3djf h ASN 213 N 0.03 0.00 0.77 1.25 2.35 -1.00 0.62 115.58 119.61 3djf h ASN 213 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3djf h ASN 213 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 3djf h ASN 213 CO -0.00 0.00 0.00 0.23 -1.65 0.00 0.00 177.43 176.01 3djf n MET 214 N -3.04 0.03 -0.14 0.81 2.81 -0.22 -4.87 117.12 112.50 3djf n MET 214 Ca -0.02 0.16 0.00 0.00 -1.81 0.00 0.00 57.70 56.04 3djf n MET 214 Cb 0.15 -1.55 0.00 0.00 -0.71 0.00 0.00 33.22 31.11 3djf n MET 214 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3djf n GLY 215 N 0.67 0.92 3.81 3.03 0.00 0.21 -5.09 105.19 108.73 3djf n GLY 215 Ca 0.05 -0.11 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 3djf n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3djf n ASP 217 N 1.08 1.98 -4.18 0.00 8.00 0.48 -4.18 116.55 119.74 3djf n ASP 217 Ca -0.04 -0.06 -0.11 0.00 0.71 0.00 0.00 54.79 55.28 3djf n ASP 217 Cb 0.50 -0.48 -0.10 0.00 -0.02 0.00 0.00 41.12 41.02 3djf n ASP 217 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3djf s VAL 218 N -2.52 0.71 -0.01 2.53 -7.23 -0.77 -0.28 120.40 112.83 3djf s VAL 218 Ca -0.35 -1.95 0.01 0.00 -1.81 0.00 0.00 61.98 57.88 3djf s VAL 218 Cb 0.10 -1.74 0.01 0.00 0.56 0.00 0.00 36.38 35.31 3djf s VAL 218 CO 0.59 -0.82 -0.03 0.54 -0.31 0.00 0.00 175.10 175.07 3djf s VAL 219 N -3.61 0.26 0.00 1.32 0.11 -0.52 -1.62 120.40 116.34 3djf s VAL 219 Ca 0.13 -0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.10 3djf s VAL 219 Cb 0.05 -0.26 0.00 0.00 -1.53 0.00 0.00 36.38 34.64 3djf s VAL 219 CO -0.04 0.10 0.00 0.61 -3.33 0.00 0.00 175.10 172.45 3djf n GLY 220 N 3.37 3.14 0.08 6.54 0.00 -0.95 -0.87 105.19 116.51 3djf n GLY 220 Ca -0.17 -1.31 0.04 0.00 0.00 0.00 0.00 46.02 44.58 3djf n GLY 220 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3djf n MET 221 N 0.00 1.69 -2.14 1.61 2.81 -1.26 -0.49 117.12 119.34 3djf n MET 221 Ca 0.00 -1.73 -0.01 0.00 -1.81 0.00 0.00 57.70 54.14 3djf n MET 221 Cb 0.00 -1.07 -0.01 0.00 -0.71 0.00 0.00 33.22 31.43 3djf n MET 221 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3djf n SER 222 N -0.74 -0.06 0.00 7.83 3.41 -1.26 -4.69 113.62 118.11 3djf n SER 222 Ca 0.06 -1.17 0.00 0.00 -0.26 0.00 0.00 58.87 57.50 3djf n SER 222 Cb 0.47 0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 3djf n SER 222 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3djf n THR 223 N -0.05 0.00 -0.27 6.66 -1.04 -1.26 -4.61 114.28 113.71 3djf n THR 223 Ca 0.01 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.10 3djf n THR 223 Cb 0.05 0.00 0.21 0.00 -1.82 0.00 0.00 70.33 68.77 3djf n THR 223 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3djf h ILE 224 N 0.00 0.41 -0.54 12.58 2.04 -1.98 0.03 117.51 130.04 3djf h ILE 224 Ca 0.00 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.81 3djf h ILE 224 Cb 0.00 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.22 3djf h ILE 224 CO 0.00 0.04 0.34 -0.65 0.00 0.00 0.00 178.15 177.88 3djf h PRO 225 N 0.21 0.65 -0.53 2.37 0.11 -1.99 0.18 132.00 133.01 3djf h PRO 225 Ca 0.46 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.53 3djf h PRO 225 Cb 0.85 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.79 3djf h PRO 225 CO -0.60 0.43 0.30 0.93 -0.21 0.00 0.00 178.00 178.86 3djf h GLU 226 N 0.67 0.73 -0.49 1.05 3.07 -1.69 -1.14 114.58 116.80 3djf h GLU 226 Ca 0.21 -0.08 -0.00 0.00 -0.50 0.00 0.00 59.36 58.99 3djf h GLU 226 Cb -0.01 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 27.73 3djf h GLU 226 CO -0.08 0.55 0.30 0.28 -1.40 0.00 0.00 179.01 178.67 3djf h VAL 227 N 0.71 1.14 -0.47 3.13 2.07 -0.44 0.19 116.25 122.58 3djf h VAL 227 Ca 0.19 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 67.43 3djf h VAL 227 Cb 0.02 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 3djf h VAL 227 CO -0.03 0.14 0.27 0.58 0.02 0.00 0.00 177.57 178.55 3djf h VAL 228 N 0.65 1.03 -0.58 2.57 2.07 -0.40 0.19 116.25 121.77 3djf h VAL 228 Ca 0.18 -0.18 -0.08 0.00 0.82 0.00 0.00 66.70 67.43 3djf h VAL 228 Cb -0.03 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 3djf h VAL 228 CO -0.03 0.10 0.03 0.40 0.02 0.00 0.00 177.57 178.09 3djf h ILE 229 N 0.54 1.26 0.24 4.57 1.08 -0.81 -1.03 117.51 123.35 3djf h ILE 229 Ca 0.19 -1.07 -0.01 0.00 -0.39 0.00 0.00 64.86 63.58 3djf h ILE 229 Cb 0.04 0.77 0.00 0.00 -3.07 0.00 0.00 36.82 34.57 3djf h ILE 229 CO -0.10 0.39 -0.11 0.00 -0.69 0.00 0.00 178.15 177.63 3djf h ALA 230 N 1.11 -0.32 -0.91 1.87 0.00 -0.14 -2.69 119.26 118.18 3djf h ALA 230 Ca 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3djf h ALA 230 Cb 0.49 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 3djf h ALA 230 CO 0.02 -0.63 0.58 0.00 0.00 0.00 0.00 179.25 179.22 3djf h ARG 231 N -0.42 1.21 -0.97 0.00 2.47 -0.91 -0.20 114.38 115.57 3djf h ARG 231 Ca -0.03 -0.09 0.17 0.00 -1.26 0.00 0.00 59.98 58.77 3djf h ARG 231 Cb 0.32 -0.26 -0.10 0.00 -1.65 0.00 0.00 29.97 28.27 3djf h ARG 231 CO 0.05 0.82 0.57 1.25 0.56 0.00 0.00 179.97 183.23 3djf h HIS 232 N 1.24 1.01 -0.67 3.04 2.76 -0.96 -0.11 115.15 121.47 3djf h HIS 232 Ca 0.33 0.03 -0.17 0.00 -2.20 0.00 0.00 60.37 58.37 3djf h HIS 232 Cb -0.10 -0.30 -0.10 0.00 1.55 0.00 0.00 27.41 28.45 3djf h HIS 232 CO -0.00 0.25 0.20 0.00 -1.30 0.00 0.00 177.93 177.08 3djf n GLY 234 N -0.10 -0.20 3.77 0.00 0.00 -0.05 -5.01 105.19 103.59 3djf n GLY 234 Ca 0.37 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 3djf n GLY 234 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3djf s ILE 235 N -2.79 5.10 0.31 -0.61 1.01 -0.14 -4.99 121.20 119.09 3djf s ILE 235 Ca 0.06 0.91 -0.28 0.00 0.00 0.00 0.00 60.65 61.34 3djf s ILE 235 Cb -0.03 -3.78 -0.10 0.00 0.01 0.00 0.00 42.46 38.57 3djf s ILE 235 CO 0.08 0.43 1.16 -1.10 0.00 0.00 0.00 174.94 175.51 3djf s GLN 236 N -0.10 4.47 -0.05 2.79 -0.21 -0.56 -4.08 119.66 121.93 3djf s GLN 236 Ca 0.25 1.91 0.06 0.00 0.02 0.00 0.00 55.36 57.60 3djf s GLN 236 Cb -0.16 -3.07 -0.01 0.00 1.00 0.00 0.00 33.01 30.77 3djf s GLN 236 CO 0.12 0.03 -0.25 0.08 -2.12 0.00 0.00 175.29 173.14 3djf s VAL 237 N -1.21 2.03 -0.08 1.09 1.01 -1.26 -0.18 120.40 121.80 3djf s VAL 237 Ca 0.48 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 61.41 3djf s VAL 237 Cb -0.33 -1.71 0.02 0.00 0.00 0.00 0.00 36.38 34.35 3djf s VAL 237 CO 0.43 0.57 -0.11 0.12 0.00 0.00 0.00 175.10 176.11 3djf s PHE 238 N -0.25 1.44 -0.01 5.22 2.19 0.14 -2.81 117.98 123.90 3djf s PHE 238 Ca -0.01 -0.58 -0.01 0.00 0.33 0.00 0.00 56.93 56.66 3djf s PHE 238 Cb -0.13 -1.10 0.00 0.00 -1.31 0.00 0.00 43.02 40.49 3djf s PHE 238 CO 0.03 -0.34 0.03 0.00 1.83 0.00 0.00 175.22 176.77 3djf s ALA 239 N 0.93 -0.07 -0.01 11.12 0.00 -1.26 -1.04 121.76 131.45 3djf s ALA 239 Ca -0.10 0.09 0.03 0.00 0.00 0.00 0.00 51.96 51.99 3djf s ALA 239 Cb -0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 3djf s ALA 239 CO 0.00 -0.02 -0.09 0.08 0.00 0.00 0.00 175.76 175.74 3djf s VAL 240 N 0.06 0.71 -0.16 0.00 1.01 -0.70 -0.99 120.40 120.33 3djf s VAL 240 Ca -0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 61.98 61.50 3djf s VAL 240 Cb -0.01 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 3djf s VAL 240 CO -0.00 0.19 0.10 -0.44 0.00 0.00 0.00 175.10 174.96 3djf s SER 241 N -0.24 6.04 -0.24 3.32 0.01 0.23 -1.58 113.70 121.24 3djf s SER 241 Ca 0.03 0.26 -0.19 0.00 1.31 0.00 0.00 55.95 57.36 3djf s SER 241 Cb -0.04 -2.00 -0.02 0.00 0.21 0.00 0.00 66.02 64.17 3djf s SER 241 CO -0.00 0.27 0.57 -0.22 0.41 0.00 0.00 173.24 174.26 3djf s LEU 242 N -0.18 4.08 -0.60 2.44 0.20 0.04 -0.05 118.68 124.60 3djf s LEU 242 Ca 0.09 0.64 -0.27 0.00 0.69 0.00 0.00 54.13 55.29 3djf s LEU 242 Cb -0.12 -2.76 0.00 0.00 -0.43 0.00 0.00 46.19 42.88 3djf s LEU 242 CO 0.01 -0.30 1.58 -0.69 -0.29 0.00 0.00 176.35 176.66 3djf s VAL 243 N 2.23 3.59 -2.68 1.68 1.01 -0.29 -1.72 120.40 124.21 3djf s VAL 243 Ca 0.24 0.43 0.25 0.00 0.00 0.00 0.00 61.98 62.90 3djf s VAL 243 Cb -0.16 -4.30 0.27 0.00 0.00 0.00 0.00 36.38 32.20 3djf s VAL 243 CO 0.09 -1.16 1.39 0.35 0.00 0.00 0.00 175.10 175.77 3djf n THR 244 N 6.93 0.00 -3.59 3.92 -2.24 -0.83 -0.64 114.28 117.84 3djf n THR 244 Ca 0.14 -0.38 -0.07 0.00 -2.27 0.00 0.00 64.05 61.47 3djf n THR 244 Cb 0.50 1.14 -0.04 0.00 -2.10 0.00 0.00 70.33 69.83 3djf n THR 244 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3djf s ASN 245 N -2.08 -0.25 -0.23 3.42 4.22 -1.26 -4.42 114.94 114.34 3djf s ASN 245 Ca 0.29 0.20 -0.17 0.00 -2.14 0.00 0.00 52.86 51.05 3djf s ASN 245 Cb 0.20 0.22 -0.03 0.00 1.28 0.00 0.00 41.25 42.91 3djf s ASN 245 CO 0.35 -0.28 0.44 -0.63 -2.04 0.00 0.00 177.10 174.95 3djf s ILE 246 N -1.51 5.15 0.24 0.54 -1.09 -1.26 -1.02 121.20 122.25 3djf s ILE 246 Ca 0.03 0.76 -0.31 0.00 -2.23 0.00 0.00 60.65 58.90 3djf s ILE 246 Cb -0.01 -3.76 -0.13 0.00 -1.58 0.00 0.00 42.46 36.98 3djf s ILE 246 CO -0.03 0.18 1.57 -1.20 -1.23 0.00 0.00 174.94 174.22 3djf n SER 247 N 4.99 3.46 -4.66 3.58 7.64 -0.19 -4.84 113.62 123.60 3djf n SER 247 Ca -0.07 1.12 -0.40 0.00 1.01 0.00 0.00 58.87 60.53 3djf n SER 247 Cb 0.51 -1.52 -0.06 0.00 -1.01 0.00 0.00 64.21 62.13 3djf n SER 247 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3djf s VAL 248 N 0.34 4.99 -1.11 0.44 1.01 -1.26 -4.94 120.40 119.88 3djf s VAL 248 Ca 0.70 1.25 0.19 0.00 0.00 0.00 0.00 61.98 64.12 3djf s VAL 248 Cb -0.57 -3.97 -0.16 0.00 0.00 0.00 0.00 36.38 31.68 3djf s VAL 248 CO 0.44 0.09 0.85 0.18 0.00 0.00 0.00 175.10 176.65 3djf n LEU 249 N 5.15 1.12 -4.25 3.92 4.77 -1.26 -4.01 117.00 122.44 3djf n LEU 249 Ca -0.00 -0.56 -0.33 0.00 -0.03 0.00 0.00 56.01 55.08 3djf n LEU 249 Cb 0.49 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.43 3djf n LEU 249 CO 0.44 0.25 -0.47 -0.62 -1.33 0.00 0.00 177.39 175.66 3djf s ASP 250 N -2.65 3.67 0.59 -1.43 3.68 -1.26 -4.62 116.67 114.64 3djf s ASP 250 Ca 0.09 -0.48 0.29 0.00 2.13 0.00 0.00 52.55 54.58 3djf s ASP 250 Cb 0.15 -1.57 1.78 0.00 -1.45 0.00 0.00 42.92 41.82 3djf s ASP 250 CO 0.71 0.06 2.24 -0.37 0.13 0.00 0.00 175.17 177.94 3djf h VAL 251 N 5.71 0.55 0.00 1.11 -1.51 -1.93 -2.73 116.25 117.45 3djf h VAL 251 Ca -0.35 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.12 3djf h VAL 251 Cb 1.18 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 31.33 3djf h VAL 251 CO 0.58 0.00 0.00 -0.62 -1.23 0.00 0.00 177.57 176.30 3djf n GLU 252 N -3.89 0.24 -1.15 5.19 -0.58 -1.26 -4.88 120.64 114.32 3djf n GLU 252 Ca -0.03 0.22 -0.30 0.00 -0.42 0.00 0.00 57.16 56.63 3djf n GLU 252 Cb 0.10 -1.80 0.13 0.00 -0.57 0.00 0.00 31.44 29.31 3djf n GLU 252 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 3djf s SER 253 N -4.43 3.65 0.00 1.62 0.01 -1.03 -4.98 113.70 108.53 3djf s SER 253 Ca 0.10 1.66 0.06 0.00 1.31 0.00 0.00 55.95 59.09 3djf s SER 253 Cb 0.12 -2.33 0.02 0.00 0.21 0.00 0.00 66.02 64.05 3djf s SER 253 CO 0.58 -2.56 0.58 -0.67 0.41 0.00 0.00 173.24 171.59 3djf n ASP 254 N -3.84 1.21 -4.76 2.44 2.03 -1.26 -4.99 116.55 107.36 3djf n ASP 254 Ca 0.08 -1.10 -0.37 0.00 0.52 0.00 0.00 54.79 53.91 3djf n ASP 254 Cb 0.54 0.27 0.01 0.00 -0.72 0.00 0.00 41.12 41.22 3djf n ASP 254 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3djf s LEU 255 N -1.03 3.96 -0.00 -2.67 2.01 -1.26 -5.05 118.68 114.64 3djf s LEU 255 Ca 0.06 2.44 -0.20 0.00 0.01 0.00 0.00 54.13 56.45 3djf s LEU 255 Cb 0.05 -4.25 0.04 0.00 0.01 0.00 0.00 46.19 42.04 3djf s LEU 255 CO 0.13 -1.11 0.43 -1.59 1.01 0.00 0.00 176.35 175.21 3djf s LYS 256 N -2.76 0.84 0.11 1.70 -2.85 -1.26 -4.98 119.74 110.54 3djf s LYS 256 Ca 0.66 -0.14 -0.31 0.00 -1.00 0.00 0.00 55.97 55.18 3djf s LYS 256 Cb -0.32 0.38 -0.08 0.00 -2.06 0.00 0.00 37.83 35.75 3djf s LYS 256 CO 0.38 -0.26 1.50 -2.14 0.10 0.00 0.00 175.35 174.93 3djf s PRO 257 N -1.67 4.26 -0.20 1.78 0.02 -1.26 -4.99 135.00 132.94 3djf s PRO 257 Ca -0.10 2.20 0.01 0.00 0.02 0.00 0.00 61.00 63.13 3djf s PRO 257 Cb -0.03 -3.33 0.04 0.00 0.02 0.00 0.00 34.50 31.20 3djf s PRO 257 CO 0.03 -0.57 -0.10 1.21 -0.33 0.00 0.00 177.00 177.25 3djf s ASN 258 N 1.48 3.36 0.56 2.53 3.84 -1.26 -5.02 114.94 120.43 3djf s ASN 258 Ca 0.68 -0.87 0.25 0.00 0.21 0.00 0.00 52.86 53.13 3djf s ASN 258 Cb -0.39 -1.21 1.53 0.00 -0.55 0.00 0.00 41.25 40.63 3djf s ASN 258 CO 0.30 -0.15 2.11 -0.74 -2.79 0.00 0.00 177.10 175.84 3djf h HIS 259 N 7.98 0.00 -0.31 0.43 -0.00 -1.99 -0.20 115.15 121.06 3djf h HIS 259 Ca -0.27 0.00 -0.17 0.00 -0.00 0.00 0.00 60.37 59.92 3djf h HIS 259 Cb 1.10 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.51 3djf h HIS 259 CO 0.50 0.00 -0.48 1.49 -0.00 0.00 0.00 177.93 179.44 3djf h GLU 260 N 0.00 0.85 -0.02 5.26 4.57 -1.99 -1.13 114.58 122.13 3djf h GLU 260 Ca 0.09 -0.50 -0.12 0.00 -1.18 0.00 0.00 59.36 57.65 3djf h GLU 260 Cb 0.42 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.04 3djf h GLU 260 CO -0.00 1.14 -0.54 0.93 -1.18 0.00 0.00 179.01 179.35 3djf h GLU 261 N 0.67 0.05 -0.02 1.92 5.08 -1.53 -1.28 114.58 119.47 3djf h GLU 261 Ca 0.03 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3djf h GLU 261 Cb 1.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 3djf h GLU 261 CO 0.11 0.59 -0.00 0.28 -1.00 0.00 0.00 179.01 178.98 3djf h VAL 262 N 0.04 1.28 -0.91 3.13 2.07 -0.97 -2.28 116.25 118.61 3djf h VAL 262 Ca -0.00 -0.82 0.04 0.00 0.82 0.00 0.00 66.70 66.74 3djf h VAL 262 Cb 0.98 1.80 -0.05 0.00 -1.52 0.00 0.00 31.29 32.49 3djf h VAL 262 CO 0.07 0.22 0.60 -0.07 0.02 0.00 0.00 177.57 178.41 3djf h LEU 263 N -0.30 0.96 -0.44 2.57 3.38 -1.09 -2.70 115.31 117.69 3djf h LEU 263 Ca 0.00 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 3djf h LEU 263 Cb 0.35 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3djf h LEU 263 CO 0.00 0.65 -0.24 0.00 0.09 0.00 0.00 178.44 178.94 3djf h ALA 264 N 1.48 0.62 -0.35 1.53 0.00 -1.15 -2.17 119.26 119.23 3djf h ALA 264 Ca 0.37 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3djf h ALA 264 Cb 0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3djf h ALA 264 CO -0.12 0.63 0.13 1.15 0.00 0.00 0.00 179.25 181.04 3djf h THR 265 N 0.78 1.19 -0.47 0.00 2.02 -1.34 -1.42 112.91 113.68 3djf h THR 265 Ca 0.10 -0.60 0.09 0.00 0.77 0.00 0.00 66.41 66.77 3djf h THR 265 Cb 0.82 0.93 -0.09 0.00 -1.74 0.00 0.00 68.15 68.07 3djf h THR 265 CO 0.07 0.21 -0.12 1.23 0.37 0.00 0.00 175.52 177.28 3djf h GLY 266 N 0.41 0.33 2.00 2.16 0.00 -1.37 -1.79 103.07 104.82 3djf h GLY 266 Ca 0.12 0.16 -0.05 0.00 0.00 0.00 0.00 47.33 47.55 3djf h GLY 266 CO -0.01 -0.18 -0.24 0.00 0.00 0.00 0.00 176.54 176.11 3djf h ALA 267 N 1.46 1.42 -0.39 3.60 0.00 -1.07 -2.17 119.26 122.11 3djf h ALA 267 Ca 0.22 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 3djf h ALA 267 Cb 0.35 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3djf h ALA 267 CO -0.48 0.30 -0.30 0.37 0.00 0.00 0.00 179.25 179.14 3djf h GLN 268 N 0.00 0.89 -0.02 0.00 5.75 -0.42 -3.25 115.11 118.05 3djf h GLN 268 Ca -0.00 -0.44 0.00 0.00 -0.15 0.00 0.00 58.65 58.06 3djf h GLN 268 Cb 0.48 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.03 3djf h GLN 268 CO 0.03 1.08 0.00 0.54 -2.65 0.00 0.00 178.83 177.84 3djf n ARG 269 N -4.14 1.92 -0.27 1.69 5.12 -0.90 -4.48 116.66 115.59 3djf n ARG 269 Ca -0.02 -1.33 -0.04 0.00 -1.93 0.00 0.00 57.85 54.53 3djf n ARG 269 Cb 0.49 -1.47 0.07 0.00 -1.16 0.00 0.00 32.46 30.39 3djf n ARG 269 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3djf h ALA 270 N 4.49 0.96 -0.37 7.54 0.00 -1.43 0.25 119.26 130.69 3djf h ALA 270 Ca 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3djf h ALA 270 Cb 0.69 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3djf h ALA 270 CO 0.00 0.34 -0.09 1.49 0.00 0.00 0.00 179.25 180.99 3djf h GLU 271 N 0.99 0.71 -0.30 0.00 4.81 -1.81 -0.58 114.58 118.40 3djf h GLU 271 Ca 0.28 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3djf h GLU 271 Cb -0.08 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 3djf h GLU 271 CO -0.07 0.86 0.20 1.25 -0.73 0.00 0.00 179.01 180.52 3djf h LEU 272 N 0.51 0.34 -0.56 1.64 5.85 -1.73 -1.51 115.31 119.84 3djf h LEU 272 Ca 0.09 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 3djf h LEU 272 Cb 0.60 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 3djf h LEU 272 CO 0.04 0.24 0.10 -0.03 -0.34 0.00 0.00 178.44 178.45 3djf h MET 273 N 0.40 0.93 -0.35 1.25 4.05 -0.81 -0.24 114.93 120.16 3djf h MET 273 Ca 0.11 -0.24 0.00 0.00 -0.28 0.00 0.00 59.70 59.29 3djf h MET 273 Cb -0.04 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.63 3djf h MET 273 CO -0.02 0.89 0.22 0.37 0.23 0.00 0.00 176.91 178.60 3djf h GLN 274 N 0.83 0.46 -0.98 0.39 4.15 -0.98 -0.83 115.11 118.15 3djf h GLN 274 Ca 0.17 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.57 3djf h GLN 274 Cb 0.40 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 27.94 3djf h GLN 274 CO 0.01 0.32 0.65 1.03 -1.93 0.00 0.00 178.83 178.91 3djf h SER 275 N 0.47 1.12 -0.12 -0.69 0.87 -0.84 -0.31 113.55 114.05 3djf h SER 275 Ca 0.13 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.66 3djf h SER 275 Cb -0.03 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.65 3djf h SER 275 CO -0.03 0.80 0.06 -0.25 -0.53 0.00 0.00 176.83 176.89 3djf h TRP 276 N 1.32 0.16 -0.64 2.24 7.01 -0.39 -0.58 115.95 125.07 3djf h TRP 276 Ca 0.36 -0.01 -0.07 0.00 2.11 0.00 0.00 58.89 61.29 3djf h TRP 276 Cb -0.14 -0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 26.85 3djf h TRP 276 CO -0.00 0.21 0.14 0.74 -2.79 0.00 0.00 178.44 176.74 3djf h PHE 277 N 0.07 1.07 -0.66 2.65 -1.00 -0.93 -0.34 116.94 117.81 3djf h PHE 277 Ca 0.04 -0.12 -0.04 0.00 2.81 0.00 0.00 57.97 60.66 3djf h PHE 277 Cb 0.10 -0.30 -0.03 0.00 3.61 0.00 0.00 35.95 39.33 3djf h PHE 277 CO -0.03 0.88 0.27 0.93 -1.61 0.00 0.00 178.31 178.75 3djf h GLU 278 N 0.97 0.98 0.00 1.51 5.08 -0.81 -1.21 114.58 121.10 3djf h GLU 278 Ca 0.20 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.28 3djf h GLU 278 Cb 0.36 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3djf h GLU 278 CO 0.00 0.82 -0.51 0.87 -1.00 0.00 0.00 179.01 179.19 3djf h LYS 279 N 0.93 0.00 0.17 2.33 1.57 -0.75 -2.73 116.57 118.08 3djf h LYS 279 Ca 0.22 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 3djf h LYS 279 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3djf h LYS 279 CO -0.02 0.51 -0.08 0.82 -0.57 0.00 0.00 179.45 180.11 3djf h ILE 280 N 0.00 0.95 -0.76 1.86 2.04 -0.83 -3.21 117.51 117.57 3djf h ILE 280 Ca -0.01 -0.58 0.09 0.00 1.00 0.00 0.00 64.86 65.36 3djf h ILE 280 Cb 1.22 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 38.54 3djf h ILE 280 CO 0.07 0.13 0.50 0.40 0.00 0.00 0.00 178.15 179.25 3djf h ILE 281 N -0.51 0.97 0.00 -0.67 2.04 -1.20 -0.44 117.51 117.70 3djf h ILE 281 Ca -0.02 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 3djf h ILE 281 Cb 0.39 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 3djf h ILE 281 CO 0.04 0.13 -0.05 -0.08 0.00 0.00 0.00 178.15 178.18 3djf h GLU 282 N 0.72 0.00 -0.09 2.37 4.81 -1.49 -2.67 114.58 118.23 3djf h GLU 282 Ca 0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 3djf h GLU 282 Cb 0.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.77 3djf h GLU 282 CO -0.12 0.05 0.00 1.63 -0.73 0.00 0.00 179.01 179.84 3djf n LYS 283 N -3.38 1.21 -1.71 1.92 5.02 -0.21 -4.99 118.16 116.01 3djf n LYS 283 Ca -0.02 -1.45 -0.43 0.00 -2.02 0.00 0.00 58.31 54.40 3djf n LYS 283 Cb 0.20 -1.27 -0.03 0.00 -0.02 0.00 0.00 35.03 33.91 3djf n LYS 283 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3djf n LEU 284 N 0.74 3.84 -4.69 -0.35 4.77 -0.97 -4.88 117.00 115.46 3djf n LEU 284 Ca 0.09 1.08 -0.43 0.00 -0.03 0.00 0.00 56.01 56.72 3djf n LEU 284 Cb 0.35 -1.54 -0.03 0.00 -2.33 0.00 0.00 43.42 39.87 3djf n LEU 284 CO 0.08 0.06 1.41 -2.65 -1.33 0.00 0.00 177.39 174.96 3djf n PRO 285 N 3.46 2.66 -3.63 3.23 -0.02 -1.26 -4.94 135.00 134.50 3djf n PRO 285 Ca 0.15 0.97 -0.37 0.00 -2.02 0.00 0.00 63.50 62.22 3djf n PRO 285 Cb 0.34 -2.83 -0.10 0.00 -0.02 0.00 0.00 33.50 30.89 3djf n PRO 285 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3djf s LYS 286 N 2.18 4.02 0.00 -0.52 2.20 -1.26 -5.21 119.74 121.14 3djf s LYS 286 Ca 0.80 -0.29 0.00 0.00 -0.36 0.00 0.00 55.97 56.12 3djf s LYS 286 Cb -0.53 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.21 3djf s LYS 286 CO 0.37 -0.04 0.00 -0.25 -0.36 0.00 0.00 175.35 175.07