#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfx s ASN 3 N 0.00 0.14 0.37 -3.46 2.20 -1.26 -5.07 114.94 107.86 1sfx s ASN 3 Ca 0.00 -0.40 0.05 0.00 -0.94 0.00 0.00 52.86 51.57 1sfx s ASN 3 Cb 0.00 0.19 0.72 0.00 -2.00 0.00 0.00 41.25 40.16 1sfx s ASN 3 CO 0.00 -0.41 1.99 1.55 -2.94 0.00 0.00 177.10 177.29 1sfx h PRO 4 N 4.12 0.61 -0.32 3.55 0.13 -1.99 -1.92 132.00 136.18 1sfx h PRO 4 Ca -0.32 -0.06 -0.08 0.00 -0.87 0.00 0.00 66.00 64.67 1sfx h PRO 4 Cb 1.19 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1sfx h PRO 4 CO 0.45 0.47 -0.12 -0.07 -0.23 0.00 0.00 178.00 178.49 1sfx h LEU 5 N 0.62 0.66 -0.89 1.56 3.38 -1.98 -0.53 115.31 118.12 1sfx h LEU 5 Ca 0.16 -0.39 0.02 0.00 0.09 0.00 0.00 57.88 57.76 1sfx h LEU 5 Cb 0.05 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 1sfx h LEU 5 CO -0.02 0.90 0.59 1.23 0.09 0.00 0.00 178.44 181.23 1sfx h GLY 6 N 0.41 1.28 1.39 0.83 0.00 -1.92 0.12 103.07 105.18 1sfx h GLY 6 Ca 0.07 -0.46 -0.12 0.00 0.00 0.00 0.00 47.33 46.83 1sfx h GLY 6 CO 0.04 0.42 -0.30 0.83 0.00 0.00 0.00 176.54 177.53 1sfx h GLU 7 N 1.17 0.69 -0.68 4.80 4.39 -1.23 -2.56 114.58 121.16 1sfx h GLU 7 Ca 0.34 -0.30 -0.08 0.00 0.34 0.00 0.00 59.36 59.66 1sfx h GLU 7 Cb -0.07 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 1sfx h GLU 7 CO -0.09 0.90 0.12 -0.07 -1.16 0.00 0.00 179.01 178.71 1sfx h LEU 8 N 0.59 1.06 -0.32 1.33 3.38 -0.63 -1.20 115.31 119.52 1sfx h LEU 8 Ca 0.07 -0.25 0.03 0.00 0.09 0.00 0.00 57.88 57.82 1sfx h LEU 8 Cb 0.80 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1sfx h LEU 8 CO 0.07 1.04 0.13 0.58 0.09 0.00 0.00 178.44 180.35 1sfx h VAL 9 N 1.04 0.94 -0.32 1.22 2.07 -0.80 0.68 116.25 121.07 1sfx h VAL 9 Ca 0.21 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 1sfx h VAL 9 Cb 0.42 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1sfx h VAL 9 CO 0.01 0.05 0.17 0.11 0.02 0.00 0.00 177.57 177.93 1sfx h LYS 10 N 0.28 0.46 -0.67 1.57 1.57 -1.25 -1.27 116.57 117.27 1sfx h LYS 10 Ca 0.14 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 1sfx h LYS 10 Cb 0.09 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1sfx h LYS 10 CO -0.13 0.41 0.14 0.00 -0.57 0.00 0.00 179.45 179.30 1sfx h ALA 11 N 1.03 0.98 0.00 3.86 0.00 -0.96 -2.28 119.26 121.88 1sfx h ALA 11 Ca 0.11 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1sfx h ALA 11 Cb 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1sfx h ALA 11 CO -0.02 0.65 -0.49 -0.07 0.00 0.00 0.00 179.25 179.33 1sfx h LEU 12 N 1.02 0.00 -0.23 0.00 4.07 -0.69 -1.58 115.31 117.90 1sfx h LEU 12 Ca 0.21 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.14 1sfx h LEU 12 Cb 0.39 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.12 1sfx h LEU 12 CO 0.01 0.49 0.05 -0.08 -1.08 0.00 0.00 178.44 177.82 1sfx h GLU 13 N 0.00 0.38 -0.01 1.13 4.57 -0.92 -1.65 114.58 118.08 1sfx h GLU 13 Ca -0.00 -0.10 -0.04 0.00 -1.18 0.00 0.00 59.36 58.04 1sfx h GLU 13 Cb 0.90 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.43 1sfx h GLU 13 CO 0.06 0.50 -0.17 -0.22 -1.18 0.00 0.00 179.01 178.01 1sfx h LYS 14 N 0.19 0.02 -0.13 1.92 3.64 -1.08 -2.28 116.57 118.85 1sfx h LYS 14 Ca 0.07 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1sfx h LYS 14 Cb 0.30 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1sfx h LYS 14 CO 0.00 0.19 0.00 1.28 -2.27 0.00 0.00 179.45 178.65 1sfx n LEU 15 N -4.33 2.23 -4.78 5.20 4.77 -0.62 -4.95 117.00 114.52 1sfx n LEU 15 Ca -0.02 -0.85 -0.32 0.00 -0.03 0.00 0.00 56.01 54.79 1sfx n LEU 15 Cb 0.24 -0.08 0.07 0.00 -2.33 0.00 0.00 43.42 41.32 1sfx n LEU 15 CO 0.36 0.42 0.71 -0.94 -1.33 0.00 0.00 177.39 176.62 1sfx s SER 16 N -1.77 4.82 -0.06 -1.43 1.04 -0.63 -5.04 113.70 110.62 1sfx s SER 16 Ca 0.34 1.85 0.02 0.00 0.48 0.00 0.00 55.95 58.64 1sfx s SER 16 Cb 0.20 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.76 1sfx s SER 16 CO 0.30 -1.82 -0.10 -0.36 0.98 0.00 0.00 173.24 172.24 1sfx s PHE 17 N -2.74 2.84 0.44 5.02 0.08 -1.26 -5.06 117.98 117.31 1sfx s PHE 17 Ca 0.63 -0.07 -0.22 0.00 0.12 0.00 0.00 56.93 57.38 1sfx s PHE 17 Cb -0.18 -1.69 -0.09 0.00 -0.57 0.00 0.00 43.02 40.50 1sfx s PHE 17 CO 0.51 0.25 1.05 0.15 -0.10 0.00 0.00 175.22 177.08 1sfx s LYS 18 N -0.72 3.98 0.38 0.44 1.02 -1.26 -4.95 119.74 118.63 1sfx s LYS 18 Ca 0.11 1.45 0.14 0.00 0.02 0.00 0.00 55.97 57.70 1sfx s LYS 18 Cb -0.11 -2.33 0.99 0.00 -0.52 0.00 0.00 37.83 35.86 1sfx s LYS 18 CO 0.01 -0.29 1.82 -1.35 -0.92 0.00 0.00 175.35 174.62 1sfx h PRO 19 N 2.05 0.50 -0.23 -1.68 0.11 -2.01 0.27 132.00 131.01 1sfx h PRO 19 Ca -0.49 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 1sfx h PRO 19 Cb 1.22 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1sfx h PRO 19 CO 0.61 0.33 0.04 0.77 -0.21 0.00 0.00 178.00 179.53 1sfx h SER 20 N 0.51 0.29 -0.68 -2.05 0.02 -1.99 -2.40 113.55 107.25 1sfx h SER 20 Ca 0.52 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.45 1sfx h SER 20 Cb 1.14 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.57 1sfx h SER 20 CO -0.25 0.32 0.44 0.44 -1.14 0.00 0.00 176.83 176.64 1sfx h ASP 21 N 0.32 0.76 -0.65 3.07 3.32 -1.31 0.51 116.42 122.44 1sfx h ASP 21 Ca 0.08 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1sfx h ASP 21 Cb 0.16 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 1sfx h ASP 21 CO -0.00 0.55 0.39 0.58 -1.72 0.00 0.00 179.24 179.03 1sfx h VAL 22 N 0.90 1.19 -0.29 -1.35 2.07 -1.41 -1.31 116.25 116.06 1sfx h VAL 22 Ca 0.25 -0.44 -0.13 0.00 0.82 0.00 0.00 66.70 67.20 1sfx h VAL 22 Cb -0.08 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1sfx h VAL 22 CO -0.06 0.20 -0.37 0.03 0.02 0.00 0.00 177.57 177.39 1sfx h ARG 23 N 0.88 0.65 -0.26 1.57 3.08 -1.09 -1.34 114.38 117.88 1sfx h ARG 23 Ca 0.23 -0.32 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 1sfx h ARG 23 Cb -0.01 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1sfx h ARG 23 CO -0.04 0.92 -0.01 0.82 -1.07 0.00 0.00 179.97 180.58 1sfx h ILE 24 N 0.54 1.26 -0.39 2.04 2.04 -0.69 -1.52 117.51 120.79 1sfx h ILE 24 Ca 0.05 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 64.96 1sfx h ILE 24 Cb 0.88 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 1sfx h ILE 24 CO 0.08 0.30 0.20 0.22 0.00 0.00 0.00 178.15 178.94 1sfx h TYR 25 N 0.23 0.55 -0.41 1.37 3.20 -1.15 -2.03 116.97 118.73 1sfx h TYR 25 Ca 0.07 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.98 1sfx h TYR 25 Cb 0.44 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.49 1sfx h TYR 25 CO 0.04 0.45 0.12 0.77 -1.64 0.00 0.00 178.16 177.90 1sfx h SER 26 N 0.49 0.10 -0.39 -2.11 0.02 -1.16 -0.19 113.55 110.31 1sfx h SER 26 Ca 0.14 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 1sfx h SER 26 Cb 0.09 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1sfx h SER 26 CO -0.02 0.09 0.22 0.25 -1.14 0.00 0.00 176.83 176.23 1sfx h LEU 27 N 0.27 0.49 -0.57 5.07 5.85 -1.02 0.21 115.31 125.61 1sfx h LEU 27 Ca 0.20 -0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.72 1sfx h LEU 27 Cb 0.20 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1sfx h LEU 27 CO -0.22 0.43 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.10 1sfx h LEU 28 N 0.51 1.00 -0.50 2.25 3.38 -1.09 -0.20 115.31 120.66 1sfx h LEU 28 Ca 0.14 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 1sfx h LEU 28 Cb 0.05 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1sfx h LEU 28 CO -0.02 1.13 0.07 0.25 0.09 0.00 0.00 178.44 179.96 1sfx h LEU 29 N 0.88 0.81 -0.39 1.67 5.85 -0.74 0.56 115.31 123.96 1sfx h LEU 29 Ca 0.13 -0.27 -0.14 0.00 0.84 0.00 0.00 57.88 58.44 1sfx h LEU 29 Cb 0.70 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1sfx h LEU 29 CO 0.05 0.87 -0.31 -0.08 -0.34 0.00 0.00 178.44 178.63 1sfx h GLU 30 N 0.71 0.90 0.00 1.25 4.81 -0.78 -3.37 114.58 118.10 1sfx h GLU 30 Ca 0.15 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1sfx h GLU 30 Cb 0.42 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1sfx h GLU 30 CO 0.01 1.10 -0.22 0.54 -0.73 0.00 0.00 179.01 179.71 1sfx n ARG 31 N -4.13 5.55 0.00 1.92 1.74 -0.10 -5.09 116.66 116.55 1sfx n ARG 31 Ca -0.02 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1sfx n ARG 31 Cb 0.50 -0.68 0.00 0.00 -1.02 0.00 0.00 32.46 31.26 1sfx n ARG 31 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sfx n GLY 32 N 1.15 -1.79 3.66 -0.13 0.00 0.19 -5.03 105.19 103.24 1sfx n GLY 32 Ca 0.01 -1.92 -0.30 0.00 0.00 0.00 0.00 46.02 43.80 1sfx n GLY 32 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1sfx s GLY 33 N -0.22 1.63 0.19 -0.02 0.00 -1.26 -4.54 107.32 103.09 1sfx s GLY 33 Ca 0.00 0.16 0.05 0.00 0.00 0.00 0.00 44.72 44.93 1sfx s GLY 33 CO 0.00 0.66 0.18 0.50 0.00 0.00 0.00 173.10 174.44 1sfx s ARG 35 N -4.74 3.01 0.22 2.90 0.52 -1.26 -4.90 118.95 114.70 1sfx s ARG 35 Ca 0.65 -0.86 -0.07 0.00 -0.52 0.00 0.00 55.73 54.92 1sfx s ARG 35 Cb -0.21 -2.69 0.32 0.00 0.52 0.00 0.00 34.95 32.89 1sfx s ARG 35 CO 0.59 0.47 1.79 0.28 0.02 0.00 0.00 175.30 178.44 1sfx h VAL 36 N 1.82 0.88 -0.48 3.52 2.07 -1.98 -1.75 116.25 120.33 1sfx h VAL 36 Ca -0.48 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 1sfx h VAL 36 Cb 1.21 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1sfx h VAL 36 CO 0.63 0.12 0.19 0.77 0.02 0.00 0.00 177.57 179.30 1sfx h SER 37 N 0.64 0.62 -0.33 0.57 4.64 -1.96 -0.65 113.55 117.08 1sfx h SER 37 Ca 0.34 -0.07 -0.11 0.00 -0.47 0.00 0.00 61.79 61.48 1sfx h SER 37 Cb 0.32 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 1sfx h SER 37 CO -0.25 0.56 -0.24 -0.33 -0.87 0.00 0.00 176.83 175.71 1sfx h GLU 38 N 0.68 0.75 -0.20 4.77 5.08 -1.78 -1.57 114.58 122.32 1sfx h GLU 38 Ca 0.17 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 1sfx h GLU 38 Cb 0.14 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1sfx h GLU 38 CO -0.02 0.98 0.05 0.82 -1.00 0.00 0.00 179.01 179.85 1sfx h ILE 39 N 0.52 1.20 -0.64 3.13 2.04 -0.92 -1.98 117.51 120.85 1sfx h ILE 39 Ca 0.06 -0.63 0.03 0.00 1.00 0.00 0.00 64.86 65.33 1sfx h ILE 39 Cb 0.80 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 38.08 1sfx h ILE 39 CO 0.06 0.20 0.40 0.00 0.00 0.00 0.00 178.15 178.81 1sfx h ALA 40 N 0.87 0.84 -0.04 1.87 0.00 -1.11 -1.35 119.26 120.33 1sfx h ALA 40 Ca 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1sfx h ALA 40 Cb 0.25 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1sfx h ALA 40 CO -0.00 0.15 0.03 -0.09 0.00 0.00 0.00 179.25 179.34 1sfx h ARG 41 N 0.78 0.06 -0.65 0.00 2.43 -1.16 -0.78 114.38 115.06 1sfx h ARG 41 Ca 0.26 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.37 1sfx h ARG 41 Cb 0.02 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 1sfx h ARG 41 CO -0.10 0.08 0.20 1.49 -1.51 0.00 0.00 179.97 180.13 1sfx h GLU 42 N 0.02 1.00 -0.01 0.20 4.57 -1.10 -2.89 114.58 116.37 1sfx h GLU 42 Ca 0.02 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 1sfx h GLU 42 Cb 0.04 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.48 1sfx h GLU 42 CO -0.00 0.86 -0.17 1.28 -1.18 0.00 0.00 179.01 179.79 1sfx n LEU 43 N -4.27 1.28 -3.72 1.64 4.77 -0.53 -4.96 117.00 111.22 1sfx n LEU 43 Ca 0.05 -0.38 -0.27 0.00 -0.03 0.00 0.00 56.01 55.38 1sfx n LEU 43 Cb 0.22 -0.07 0.03 0.00 -2.33 0.00 0.00 43.42 41.26 1sfx n LEU 43 CO 0.41 0.23 -0.10 -0.67 -1.33 0.00 0.00 177.39 175.92 1sfx n ASP 44 N -0.28 -3.25 -4.35 -1.43 2.03 -0.39 -5.02 116.55 103.86 1sfx n ASP 44 Ca 0.14 -0.95 -0.21 0.00 0.52 0.00 0.00 54.79 54.29 1sfx n ASP 44 Cb 0.36 -3.59 -0.11 0.00 -0.72 0.00 0.00 41.12 37.07 1sfx n ASP 44 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1sfx s LEU 45 N -6.56 2.47 0.23 -2.67 1.43 -0.64 -5.06 118.68 107.87 1sfx s LEU 45 Ca 0.25 -0.90 -0.32 0.00 -1.03 0.00 0.00 54.13 52.13 1sfx s LEU 45 Cb -0.08 -0.82 -0.13 0.00 0.03 0.00 0.00 46.19 45.19 1sfx s LEU 45 CO 0.85 -0.05 1.57 -0.24 0.23 0.00 0.00 176.35 178.71 1sfx n SER 46 N 0.11 3.42 -0.26 2.29 2.88 -1.26 -4.51 113.62 116.28 1sfx n SER 46 Ca -0.12 1.11 -0.06 0.00 -1.33 0.00 0.00 58.87 58.48 1sfx n SER 46 Cb 0.58 -1.51 0.08 0.00 -0.75 0.00 0.00 64.21 62.61 1sfx n SER 46 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sfx h ALA 47 N 5.31 1.05 -0.59 -1.46 0.00 -1.91 -1.02 119.26 120.63 1sfx h ALA 47 Ca -0.45 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.27 1sfx h ALA 47 Cb 1.24 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1sfx h ALA 47 CO 0.84 0.66 0.37 0.00 0.00 0.00 0.00 179.25 181.12 1sfx h ARG 48 N 1.11 0.73 -0.23 0.00 3.08 -1.97 0.84 114.38 117.93 1sfx h ARG 48 Ca 0.25 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 1sfx h ARG 48 Cb 0.26 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1sfx h ARG 48 CO -0.01 0.48 0.10 0.35 -1.07 0.00 0.00 179.97 179.82 1sfx h PHE 49 N 0.75 0.34 -0.39 3.04 3.57 -1.82 -0.39 116.94 122.05 1sfx h PHE 49 Ca 0.23 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.71 1sfx h PHE 49 Cb -0.03 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 1sfx h PHE 49 CO -0.05 0.36 0.25 0.28 -2.23 0.00 0.00 178.31 176.93 1sfx h VAL 50 N 0.23 1.09 -0.36 1.41 2.07 -0.95 -0.52 116.25 119.21 1sfx h VAL 50 Ca 0.08 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 67.50 1sfx h VAL 50 Cb 0.16 0.53 -0.07 0.00 -1.52 0.00 0.00 31.29 30.38 1sfx h VAL 50 CO -0.01 0.09 -0.13 -0.09 0.02 0.00 0.00 177.57 177.46 1sfx h ARG 51 N 0.51 -0.05 -0.38 1.57 2.43 -0.64 0.79 114.38 118.60 1sfx h ARG 51 Ca 0.14 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.19 1sfx h ARG 51 Cb -0.05 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1sfx h ARG 51 CO -0.04 -0.03 -0.28 -0.44 -1.51 0.00 0.00 179.97 177.67 1sfx h ASP 52 N -0.05 0.83 -0.50 -3.80 3.32 -0.56 -1.48 116.42 114.18 1sfx h ASP 52 Ca 0.18 -0.33 -0.11 0.00 0.02 0.00 0.00 57.03 56.79 1sfx h ASP 52 Cb 0.32 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1sfx h ASP 52 CO -0.40 1.06 -0.10 0.03 -1.72 0.00 0.00 179.24 178.11 1sfx h ARG 53 N 0.69 0.98 -0.71 3.56 2.47 -0.82 -2.29 114.38 118.25 1sfx h ARG 53 Ca 0.08 -0.35 -0.01 0.00 -1.26 0.00 0.00 59.98 58.44 1sfx h ARG 53 Cb 0.81 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 29.03 1sfx h ARG 53 CO 0.07 1.03 0.41 -0.07 0.56 0.00 0.00 179.97 181.97 1sfx h LEU 54 N 0.88 0.87 -0.92 3.04 3.38 -0.50 -0.25 115.31 121.81 1sfx h LEU 54 Ca 0.14 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1sfx h LEU 54 Cb 0.65 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1sfx h LEU 54 CO 0.05 0.68 0.25 0.11 0.09 0.00 0.00 178.44 179.61 1sfx h LYS 55 N 0.99 1.04 -0.12 1.13 1.57 -0.96 0.71 116.57 120.92 1sfx h LYS 55 Ca 0.26 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1sfx h LYS 55 Cb -0.01 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 1sfx h LYS 55 CO -0.05 0.86 0.02 0.28 -0.57 0.00 0.00 179.45 180.00 1sfx h VAL 56 N 1.01 1.22 -0.13 0.50 2.07 -0.82 -2.25 116.25 117.84 1sfx h VAL 56 Ca 0.23 -0.70 -0.05 0.00 0.82 0.00 0.00 66.70 67.00 1sfx h VAL 56 Cb 0.24 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1sfx h VAL 56 CO -0.01 0.20 -0.16 -0.07 0.02 0.00 0.00 177.57 177.55 1sfx h LEU 57 N -0.03 0.20 -0.19 2.57 3.38 -0.83 -1.79 115.31 118.63 1sfx h LEU 57 Ca 0.04 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1sfx h LEU 57 Cb 0.30 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1sfx h LEU 57 CO 0.00 0.38 -0.01 0.25 0.09 0.00 0.00 178.44 179.16 1sfx h LEU 58 N 0.20 0.33 -1.52 1.67 5.85 -0.75 -0.19 115.31 120.90 1sfx h LEU 58 Ca 0.04 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.40 1sfx h LEU 58 Cb 0.41 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1sfx h LEU 58 CO 0.03 0.57 -0.09 0.50 -0.34 0.00 0.00 178.44 179.11 1sfx h LYS 59 N 0.08 0.20 0.00 1.25 3.64 -1.04 -1.69 116.57 119.02 1sfx h LYS 59 Ca 0.05 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1sfx h LYS 59 Cb 0.41 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1sfx h LYS 59 CO 0.01 0.31 -0.02 0.54 -2.27 0.00 0.00 179.45 178.02 1sfx n ARG 60 N -4.33 0.14 -0.79 1.90 1.74 -0.70 -4.94 116.66 109.69 1sfx n ARG 60 Ca -0.01 0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 1sfx n ARG 60 Cb 0.23 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 30.00 1sfx n ARG 60 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sfx n GLY 61 N 1.40 0.63 0.02 -0.13 0.00 -0.63 -4.76 105.19 101.71 1sfx n GLY 61 Ca 0.06 -0.73 0.09 0.00 0.00 0.00 0.00 46.02 45.44 1sfx n GLY 61 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sfx n PHE 62 N -2.74 0.00 -4.29 1.61 3.72 -0.15 -4.61 117.46 111.01 1sfx n PHE 62 Ca 0.00 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.24 1sfx n PHE 62 Cb 0.05 -0.51 -0.10 0.00 -0.94 0.00 0.00 39.48 37.99 1sfx n PHE 62 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 1sfx s VAL 63 N -3.37 1.24 0.33 -4.37 -7.23 -1.18 -1.55 120.40 104.27 1sfx s VAL 63 Ca -0.08 -2.08 0.05 0.00 -1.81 0.00 0.00 61.98 58.07 1sfx s VAL 63 Cb 0.13 -2.00 -0.07 0.00 0.56 0.00 0.00 36.38 35.01 1sfx s VAL 63 CO 0.86 -0.62 0.01 0.00 -0.31 0.00 0.00 175.10 175.03 1sfx s ARG 64 N -3.75 1.69 0.04 4.82 1.70 -0.22 -4.40 118.95 118.83 1sfx s ARG 64 Ca 0.20 -1.91 -0.07 0.00 -0.47 0.00 0.00 55.73 53.48 1sfx s ARG 64 Cb 0.03 -1.14 -0.01 0.00 -0.57 0.00 0.00 34.95 33.26 1sfx s ARG 64 CO 0.03 -0.08 0.13 -0.98 -1.08 0.00 0.00 175.30 173.33 1sfx s ARG 65 N -3.79 0.64 -0.03 3.89 1.70 -1.26 -1.17 118.95 118.93 1sfx s ARG 65 Ca 0.34 -0.75 0.03 0.00 -0.47 0.00 0.00 55.73 54.88 1sfx s ARG 65 Cb 0.07 0.26 -0.00 0.00 -0.57 0.00 0.00 34.95 34.71 1sfx s ARG 65 CO 0.15 -0.17 -0.13 -2.00 -1.08 0.00 0.00 175.30 172.06 1sfx s GLU 66 N -2.76 1.37 0.27 3.89 2.12 -0.52 -4.97 118.70 118.10 1sfx s GLU 66 Ca -0.04 -0.46 -0.29 0.00 0.36 0.00 0.00 54.97 54.54 1sfx s GLU 66 Cb -0.00 -1.23 -0.09 0.00 0.26 0.00 0.00 34.13 33.07 1sfx s GLU 66 CO -0.05 0.18 1.07 -1.50 -0.54 0.00 0.00 175.26 174.42 1sfx s ILE 67 N 0.11 3.60 -0.01 -3.70 2.07 -1.26 -1.18 121.20 120.84 1sfx s ILE 67 Ca -0.03 1.61 0.02 0.00 -1.41 0.00 0.00 60.65 60.83 1sfx s ILE 67 Cb -0.10 -4.02 -0.00 0.00 0.13 0.00 0.00 42.46 38.47 1sfx s ILE 67 CO 0.01 0.38 -0.07 0.54 -1.91 0.00 0.00 174.94 173.89 1sfx s VAL 68 N -1.18 0.54 -0.43 4.00 0.11 -0.06 -4.93 120.40 118.45 1sfx s VAL 68 Ca 0.44 -0.27 0.02 0.00 -2.93 0.00 0.00 61.98 59.24 1sfx s VAL 68 Cb -0.31 -0.47 0.15 0.00 -1.53 0.00 0.00 36.38 34.22 1sfx s VAL 68 CO 0.39 0.16 0.27 -0.70 -3.33 0.00 0.00 175.10 171.90 1sfx s GLU 69 N -0.01 1.06 -0.06 1.54 2.12 -1.26 -1.58 118.70 120.51 1sfx s GLU 69 Ca 0.01 -1.93 -0.01 0.00 0.36 0.00 0.00 54.97 53.40 1sfx s GLU 69 Cb -0.04 -1.89 -0.00 0.00 0.26 0.00 0.00 34.13 32.45 1sfx s GLU 69 CO -0.00 -1.24 -0.02 0.87 -0.54 0.00 0.00 175.26 174.33 1sfx h LYS 70 N 6.46 0.00 0.00 4.30 1.79 -1.97 -3.47 116.57 123.67 1sfx h LYS 70 Ca 0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 1sfx h LYS 70 Cb 0.92 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.57 1sfx h LYS 70 CO 0.41 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 179.19 1sfx n GLY 71 N 1.84 -0.09 3.81 3.86 0.00 -1.26 -5.04 105.19 108.31 1sfx n GLY 71 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1sfx n GLY 71 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1sfx s TRP 72 N 0.00 3.56 0.36 1.61 0.52 -1.26 -5.05 118.94 118.68 1sfx s TRP 72 Ca 0.00 1.52 -0.25 0.00 0.02 0.00 0.00 56.10 57.39 1sfx s TRP 72 Cb 0.00 -2.74 -0.09 0.00 -1.15 0.00 0.00 33.47 29.48 1sfx s TRP 72 CO 0.00 0.18 1.01 0.54 0.02 0.00 0.00 176.95 178.71 1sfx s VAL 73 N -1.74 3.90 0.16 4.03 0.11 -1.26 -4.57 120.40 121.03 1sfx s VAL 73 Ca 0.50 1.54 -0.24 0.00 -2.93 0.00 0.00 61.98 60.85 1sfx s VAL 73 Cb -0.15 -3.83 0.07 0.00 -1.53 0.00 0.00 36.38 30.94 1sfx s VAL 73 CO 0.20 0.09 1.01 -0.83 -3.33 0.00 0.00 175.10 172.24 1sfx s GLY 74 N -1.53 -0.11 -0.02 6.54 0.00 -0.62 -5.02 107.32 106.57 1sfx s GLY 74 Ca 0.54 -0.02 0.03 0.00 0.00 0.00 0.00 44.72 45.27 1sfx s GLY 74 CO 0.27 0.85 -0.08 -0.19 0.00 0.00 0.00 173.10 173.96 1sfx s TYR 75 N -2.81 2.88 -0.25 1.90 2.02 -1.26 -0.88 117.35 118.95 1sfx s TYR 75 Ca 0.16 -0.04 -0.08 0.00 -0.37 0.00 0.00 57.07 56.74 1sfx s TYR 75 Cb -0.01 -1.63 -0.04 0.00 -0.40 0.00 0.00 41.96 39.88 1sfx s TYR 75 CO 0.03 0.35 0.10 0.42 -1.57 0.00 0.00 175.55 174.87 1sfx s ILE 76 N -0.93 4.61 -0.08 2.71 1.01 -0.32 -4.35 121.20 123.85 1sfx s ILE 76 Ca 0.15 -0.07 -0.08 0.00 0.00 0.00 0.00 60.65 60.65 1sfx s ILE 76 Cb -0.11 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 1sfx s ILE 76 CO 0.05 0.34 0.20 -0.31 0.00 0.00 0.00 174.94 175.22 1sfx s TYR 77 N 1.44 3.62 0.09 3.97 2.02 -1.26 -1.44 117.35 125.80 1sfx s TYR 77 Ca 0.06 0.61 0.03 0.00 -0.37 0.00 0.00 57.07 57.39 1sfx s TYR 77 Cb -0.15 -2.00 -0.04 0.00 -0.40 0.00 0.00 41.96 39.37 1sfx s TYR 77 CO 0.05 0.71 -0.08 -1.54 -1.57 0.00 0.00 175.55 173.12 1sfx s SER 78 N -1.14 1.24 0.16 2.29 1.04 -0.31 -4.22 113.70 112.76 1sfx s SER 78 Ca 0.18 -0.89 -0.30 0.00 0.48 0.00 0.00 55.95 55.42 1sfx s SER 78 Cb -0.13 0.05 -0.07 0.00 0.10 0.00 0.00 66.02 65.97 1sfx s SER 78 CO 0.07 -0.36 1.08 0.00 0.98 0.00 0.00 173.24 175.01 1sfx s ALA 79 N -2.97 3.35 0.60 5.32 0.00 -1.26 -1.05 121.76 125.74 1sfx s ALA 79 Ca 0.07 0.77 -0.17 0.00 0.00 0.00 0.00 51.96 52.64 1sfx s ALA 79 Cb 0.01 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 1sfx s ALA 79 CO -0.02 -0.19 1.09 -1.21 0.00 0.00 0.00 175.76 175.42 1sfx s GLU 80 N -0.23 3.20 0.51 0.00 0.41 -0.60 -4.81 118.70 117.18 1sfx s GLU 80 Ca 0.49 1.35 -0.21 0.00 -0.41 0.00 0.00 54.97 56.19 1sfx s GLU 80 Cb -0.28 -2.01 -0.06 0.00 -1.78 0.00 0.00 34.13 30.00 1sfx s GLU 80 CO 0.34 -0.93 1.19 -1.59 -0.49 0.00 0.00 175.26 173.78 1sfx s LYS 81 N -3.86 3.46 0.33 1.61 -2.85 -1.26 -4.77 119.74 112.40 1sfx s LYS 81 Ca 0.67 1.81 0.10 0.00 -1.00 0.00 0.00 55.97 57.55 1sfx s LYS 81 Cb -0.19 -2.22 0.90 0.00 -2.06 0.00 0.00 37.83 34.26 1sfx s LYS 81 CO 0.35 -0.81 1.74 -1.35 0.10 0.00 0.00 175.35 175.38 1sfx h PRO 82 N 1.60 0.56 -0.10 1.78 0.11 -1.97 -0.98 132.00 133.01 1sfx h PRO 82 Ca -0.50 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.48 1sfx h PRO 82 Cb 1.27 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1sfx h PRO 82 CO 0.58 0.37 -0.36 0.93 -0.21 0.00 0.00 178.00 179.32 1sfx h GLU 83 N 0.58 0.19 -0.37 1.05 5.08 -1.99 -0.87 114.58 118.25 1sfx h GLU 83 Ca 0.63 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.79 1sfx h GLU 83 Cb 1.22 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1sfx h GLU 83 CO -0.43 0.53 -0.22 -0.22 -1.00 0.00 0.00 179.01 177.67 1sfx h LYS 84 N 0.17 0.80 -0.26 2.33 3.64 -1.57 -1.67 116.57 120.00 1sfx h LYS 84 Ca 0.02 -0.37 0.05 0.00 -1.27 0.00 0.00 60.65 59.08 1sfx h LYS 84 Cb 0.72 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.48 1sfx h LYS 84 CO 0.05 1.00 -0.02 0.28 -2.27 0.00 0.00 179.45 178.48 1sfx h VAL 85 N 0.59 0.78 -0.58 2.00 2.07 -0.86 -0.36 116.25 119.88 1sfx h VAL 85 Ca 0.08 -0.02 -0.10 0.00 0.82 0.00 0.00 66.70 67.48 1sfx h VAL 85 Cb 0.78 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1sfx h VAL 85 CO 0.06 0.01 -0.01 -0.07 0.02 0.00 0.00 177.57 177.58 1sfx h LEU 86 N 0.05 1.00 -0.42 2.57 3.38 -1.14 -0.93 115.31 119.82 1sfx h LEU 86 Ca 0.13 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1sfx h LEU 86 Cb 0.18 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1sfx h LEU 86 CO -0.24 1.06 0.21 0.50 0.09 0.00 0.00 178.44 180.06 1sfx h LYS 87 N 0.94 0.60 -0.29 1.13 3.64 -1.00 -0.97 116.57 120.62 1sfx h LYS 87 Ca 0.17 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 1sfx h LYS 87 Cb 0.56 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1sfx h LYS 87 CO 0.03 0.51 -0.11 0.93 -2.27 0.00 0.00 179.45 178.55 1sfx h GLU 88 N 0.54 0.58 -0.56 1.90 4.39 -0.92 -1.84 114.58 118.68 1sfx h GLU 88 Ca 0.14 -0.24 0.01 0.00 0.34 0.00 0.00 59.36 59.62 1sfx h GLU 88 Cb 0.10 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 1sfx h GLU 88 CO -0.02 0.80 0.36 0.35 -1.16 0.00 0.00 179.01 179.34 1sfx h PHE 89 N 0.33 0.68 -0.16 4.33 3.57 -1.10 -0.64 116.94 123.96 1sfx h PHE 89 Ca 0.07 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.59 1sfx h PHE 89 Cb 0.61 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1sfx h PHE 89 CO 0.06 0.42 0.09 -0.22 -2.23 0.00 0.00 178.31 176.42 1sfx h LYS 90 N 0.73 0.18 -0.63 1.11 3.64 -1.08 -0.32 116.57 120.20 1sfx h LYS 90 Ca 0.21 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.63 1sfx h LYS 90 Cb -0.06 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.67 1sfx h LYS 90 CO -0.06 0.12 0.35 0.77 -2.27 0.00 0.00 179.45 178.36 1sfx h SER 91 N 0.18 0.53 -0.12 4.20 0.02 -1.07 -1.09 113.55 116.20 1sfx h SER 91 Ca 0.06 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1sfx h SER 91 Cb 0.00 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 1sfx h SER 91 CO -0.04 0.35 -0.00 -1.28 -1.14 0.00 0.00 176.83 174.72 1sfx h SER 92 N 0.66 0.20 -0.28 3.07 0.87 -0.64 -0.86 113.55 116.57 1sfx h SER 92 Ca 0.28 -0.31 -0.11 0.00 -1.23 0.00 0.00 61.79 60.42 1sfx h SER 92 Cb 0.16 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 1sfx h SER 92 CO -0.17 0.47 -0.19 -0.29 -0.53 0.00 0.00 176.83 176.12 1sfx h ILE 93 N -0.07 1.27 -0.60 2.23 2.10 -0.96 -1.51 117.51 119.97 1sfx h ILE 93 Ca 0.03 -1.28 -0.03 0.00 1.08 0.00 0.00 64.86 64.67 1sfx h ILE 93 Cb 0.37 1.18 -0.03 0.00 -1.09 0.00 0.00 36.82 37.24 1sfx h ILE 93 CO 0.01 0.43 0.28 -0.07 -1.08 0.00 0.00 178.15 177.71 1sfx h LEU 94 N 0.66 0.80 -0.85 2.19 3.38 -1.13 -0.92 115.31 119.44 1sfx h LEU 94 Ca 0.10 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 57.98 1sfx h LEU 94 Cb 0.68 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 1sfx h LEU 94 CO 0.05 0.72 0.53 1.23 0.09 0.00 0.00 178.44 181.06 1sfx h GLY 95 N 0.83 1.26 0.93 0.83 0.00 -0.81 -0.15 103.07 105.96 1sfx h GLY 95 Ca 0.21 -0.39 -0.10 0.00 0.00 0.00 0.00 47.33 47.05 1sfx h GLY 95 CO -0.02 0.28 -0.20 0.83 0.00 0.00 0.00 176.54 177.43 1sfx h GLU 96 N 0.98 0.65 -0.64 4.80 4.39 -0.81 -1.11 114.58 122.84 1sfx h GLU 96 Ca 0.36 -0.31 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 1sfx h GLU 96 Cb 0.13 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 1sfx h GLU 96 CO -0.16 0.90 0.33 0.82 -1.16 0.00 0.00 179.01 179.74 1sfx h ILE 97 N 0.39 1.21 -0.89 3.13 2.04 -0.91 -1.80 117.51 120.68 1sfx h ILE 97 Ca 0.06 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 1sfx h ILE 97 Cb 0.74 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 1sfx h ILE 97 CO 0.05 0.24 0.48 -0.33 0.00 0.00 0.00 178.15 178.59 1sfx h GLU 98 N 0.87 1.25 -0.64 2.37 5.08 -0.88 0.12 114.58 122.74 1sfx h GLU 98 Ca 0.22 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1sfx h GLU 98 Cb 0.08 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 1sfx h GLU 98 CO -0.03 0.92 0.37 -0.09 -1.00 0.00 0.00 179.01 179.18 1sfx h ARG 99 N 1.25 0.88 -0.38 2.33 2.43 -0.89 -1.74 114.38 118.26 1sfx h ARG 99 Ca 0.31 -0.09 -0.13 0.00 -0.81 0.00 0.00 59.98 59.26 1sfx h ARG 99 Cb 0.04 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1sfx h ARG 99 CO -0.05 0.65 -0.27 0.82 -1.51 0.00 0.00 179.97 179.61 1sfx h ILE 100 N 0.87 1.28 -0.94 1.20 2.04 -0.87 -2.64 117.51 118.45 1sfx h ILE 100 Ca 0.23 -1.41 0.08 0.00 1.00 0.00 0.00 64.86 64.76 1sfx h ILE 100 Cb 0.01 1.28 -0.07 0.00 -0.74 0.00 0.00 36.82 37.29 1sfx h ILE 100 CO -0.04 0.47 0.59 -0.33 0.00 0.00 0.00 178.15 178.84 1sfx h GLU 101 N 0.68 1.00 -2.25 2.37 5.08 -0.44 -3.13 114.58 117.88 1sfx h GLU 101 Ca 0.08 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 1sfx h GLU 101 Cb 0.80 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1sfx h GLU 101 CO 0.07 0.66 -0.01 1.63 -1.00 0.00 0.00 179.01 180.36 1sfx n LYS 102 N -4.59 0.93 0.00 2.33 5.02 -0.68 -1.89 118.16 119.27 1sfx n LYS 102 Ca 0.15 -0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 1sfx n LYS 102 Cb 0.23 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 1sfx n LYS 102 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1sfx n PHE 104 N 2.30 0.00 1.81 2.13 3.72 -1.19 -5.11 117.46 121.11 1sfx n PHE 104 Ca 0.15 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.69 1sfx n PHE 104 Cb 0.44 0.00 0.86 0.00 -0.94 0.00 0.00 39.48 39.83 1sfx n PHE 104 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96