#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dh8 n SER -5 N 0.00 -0.35 -4.79 1.61 3.41 -1.26 -4.86 113.62 107.39 2dh8 n SER -5 Ca 0.00 -0.96 -0.37 0.00 -0.26 0.00 0.00 58.87 57.28 2dh8 n SER -5 Cb 0.00 -1.21 -0.06 0.00 -0.26 0.00 0.00 64.21 62.68 2dh8 n SER -5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dh8 s SER -4 N -3.37 6.66 0.00 4.04 0.01 -1.26 -4.87 113.70 114.92 2dh8 s SER -4 Ca 0.32 0.79 0.00 0.00 1.31 0.00 0.00 55.95 58.37 2dh8 s SER -4 Cb -0.19 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 63.81 2dh8 s SER -4 CO 0.77 0.21 0.00 0.61 0.41 0.00 0.00 173.24 175.24 2dh8 n GLY -3 N 2.52 0.00 3.35 3.44 0.00 -1.26 -5.09 105.19 108.15 2dh8 n GLY -3 Ca -0.12 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.44 2dh8 n GLY -3 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dh8 s SER -2 N 0.00 7.04 -1.38 1.61 1.04 -1.26 -4.56 113.70 116.19 2dh8 s SER -2 Ca 0.00 -3.10 -0.08 0.00 0.48 0.00 0.00 55.95 53.24 2dh8 s SER -2 Cb 0.00 -2.23 0.03 0.00 0.10 0.00 0.00 66.02 63.92 2dh8 s SER -2 CO 0.00 -0.48 1.07 -0.24 0.98 0.00 0.00 173.24 174.57 2dh8 n SER -1 N 3.62 -4.97 -4.34 7.02 2.88 -1.26 -4.83 113.62 111.75 2dh8 n SER -1 Ca 0.21 -0.64 -0.44 0.00 -1.33 0.00 0.00 58.87 56.67 2dh8 n SER -1 Cb 0.43 -4.66 0.00 0.00 -0.75 0.00 0.00 64.21 59.23 2dh8 n SER -1 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dh8 n GLY 0 N -1.78 3.91 4.01 0.46 0.00 -1.26 -4.62 105.19 105.91 2dh8 n GLY 0 Ca -0.05 -2.26 -0.29 0.00 0.00 0.00 0.00 46.02 43.42 2dh8 n GLY 0 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2dh8 n MET 1 N 4.17 -3.78 -3.24 1.61 0.00 -1.26 -4.94 117.12 109.67 2dh8 n MET 1 Ca 0.32 0.45 0.03 0.00 -0.00 0.00 0.00 57.70 58.50 2dh8 n MET 1 Cb 0.40 -4.92 -0.02 0.00 0.00 0.00 0.00 33.22 28.69 2dh8 n MET 1 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 2dh8 s ASN 2 N -3.87 -1.12 0.21 6.12 2.47 -1.26 -5.17 114.94 112.32 2dh8 s ASN 2 Ca 0.34 0.87 0.00 0.00 0.42 0.00 0.00 52.86 54.49 2dh8 s ASN 2 Cb -0.18 2.01 -0.05 0.00 -1.45 0.00 0.00 41.25 41.58 2dh8 s ASN 2 CO 0.88 -0.21 0.09 0.54 -3.72 0.00 0.00 177.10 174.68 2dh8 s ASN 3 N 2.85 0.80 0.12 -4.21 4.22 -1.26 -4.65 114.94 112.81 2dh8 s ASN 3 Ca 0.11 -1.33 -0.25 0.00 -2.14 0.00 0.00 52.86 49.25 2dh8 s ASN 3 Cb -0.13 0.23 0.08 0.00 1.28 0.00 0.00 41.25 42.72 2dh8 s ASN 3 CO -0.19 -0.74 1.10 -0.44 -2.04 0.00 0.00 177.10 174.80 2dh8 s SER 4 N -3.22 -0.03 -0.00 3.54 0.01 -1.26 -5.12 113.70 107.62 2dh8 s SER 4 Ca 0.34 -0.49 -0.00 0.00 1.31 0.00 0.00 55.95 57.12 2dh8 s SER 4 Cb 0.07 0.39 -0.00 0.00 0.21 0.00 0.00 66.02 66.70 2dh8 s SER 4 CO 0.10 -0.77 -0.00 0.61 0.41 0.00 0.00 173.24 173.59 2dh8 n GLY 5 N -0.68 -0.32 3.32 3.44 0.00 -1.26 -4.86 105.19 104.83 2dh8 n GLY 5 Ca -0.03 -0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.54 2dh8 n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dh8 s ALA 6 N -2.73 4.67 -0.17 4.61 0.00 -1.26 -4.95 121.76 121.92 2dh8 s ALA 6 Ca -0.00 -3.81 -0.07 0.00 0.00 0.00 0.00 51.96 48.08 2dh8 s ALA 6 Cb 0.00 -3.51 0.08 0.00 0.00 0.00 0.00 23.12 19.68 2dh8 s ALA 6 CO 0.01 -2.20 0.37 -0.51 0.00 0.00 0.00 175.76 173.43 2dh8 s ASP 7 N 1.28 -0.14 -1.08 0.00 1.01 -1.26 -4.88 116.67 111.59 2dh8 s ASP 7 Ca 0.30 0.86 -0.00 0.00 0.71 0.00 0.00 52.55 54.42 2dh8 s ASP 7 Cb -0.10 1.07 0.00 0.00 1.01 0.00 0.00 42.92 44.90 2dh8 s ASP 7 CO -0.08 -0.23 0.01 -0.62 0.21 0.00 0.00 175.17 174.46 2dh8 n GLU 8 N 5.18 -1.07 0.26 8.23 1.02 -1.26 -4.90 120.64 128.10 2dh8 n GLU 8 Ca -0.11 0.61 -0.11 0.00 -0.02 0.00 0.00 57.16 57.54 2dh8 n GLU 8 Cb 0.50 -4.81 -0.05 0.00 -0.02 0.00 0.00 31.44 27.06 2dh8 n GLU 8 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2dh8 h ILE 9 N -0.02 0.00 -0.17 -3.67 2.04 -1.86 -3.15 117.51 110.67 2dh8 h ILE 9 Ca -0.30 -0.24 -0.08 0.00 1.00 0.00 0.00 64.86 65.25 2dh8 h ILE 9 Cb 1.22 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 2dh8 h ILE 9 CO 0.35 0.00 0.10 0.61 0.00 0.00 0.00 178.15 179.21 2dh8 n GLY 10 N -0.45 2.32 3.69 5.37 0.00 -1.26 -4.84 105.19 110.02 2dh8 n GLY 10 Ca -0.09 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 2dh8 n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dh8 s LYS 11 N -0.81 3.25 -0.27 1.61 2.20 -1.19 -0.33 119.74 124.21 2dh8 s LYS 11 Ca 0.11 -0.37 0.02 0.00 -0.36 0.00 0.00 55.97 55.37 2dh8 s LYS 11 Cb 0.09 -2.92 0.07 0.00 -1.51 0.00 0.00 37.83 33.56 2dh8 s LYS 11 CO 0.02 0.61 -0.05 -1.17 -0.36 0.00 0.00 175.35 174.40 2dh8 s LEU 12 N -0.61 3.29 -0.31 5.43 2.96 0.17 -3.95 118.68 125.66 2dh8 s LEU 12 Ca 0.10 -1.45 -0.25 0.00 -0.22 0.00 0.00 54.13 52.32 2dh8 s LEU 12 Cb -0.12 -1.40 0.00 0.00 0.50 0.00 0.00 46.19 45.18 2dh8 s LEU 12 CO 0.02 -0.25 0.86 0.12 -1.32 0.00 0.00 176.35 175.78 2dh8 s PHE 13 N 1.20 3.19 -0.18 5.38 5.36 -0.40 -0.09 117.98 132.43 2dh8 s PHE 13 Ca -0.04 0.90 -0.20 0.00 -0.96 0.00 0.00 56.93 56.63 2dh8 s PHE 13 Cb -0.19 -3.33 -0.03 0.00 -0.34 0.00 0.00 43.02 39.12 2dh8 s PHE 13 CO -0.07 -0.62 0.58 0.08 -1.46 0.00 0.00 175.22 173.73 2dh8 s VAL 14 N 3.12 5.07 -0.27 3.12 1.01 -1.16 0.10 120.40 131.40 2dh8 s VAL 14 Ca 0.35 1.10 0.03 0.00 0.00 0.00 0.00 61.98 63.46 2dh8 s VAL 14 Cb -0.14 -3.90 0.07 0.00 0.00 0.00 0.00 36.38 32.41 2dh8 s VAL 14 CO 0.13 0.17 -0.06 -0.83 0.00 0.00 0.00 175.10 174.52 2dh8 s GLY 15 N 1.07 1.60 0.00 4.51 0.00 0.07 -2.36 107.32 112.21 2dh8 s GLY 15 Ca 0.27 -1.81 0.00 0.00 0.00 0.00 0.00 44.72 43.19 2dh8 s GLY 15 CO 0.11 0.78 0.00 0.61 0.00 0.00 0.00 173.10 174.59 2dh8 n GLY 16 N 4.47 0.92 3.61 0.20 0.00 -0.90 -1.62 105.19 111.86 2dh8 n GLY 16 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 2dh8 n GLY 16 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dh8 s LEU 17 N 0.00 1.66 0.00 0.99 1.43 -0.02 -4.09 118.68 118.66 2dh8 s LEU 17 Ca 0.00 1.58 0.07 0.00 -1.03 0.00 0.00 54.13 54.75 2dh8 s LEU 17 Cb 0.00 -3.75 -0.03 0.00 0.03 0.00 0.00 46.19 42.45 2dh8 s LEU 17 CO 0.00 -3.46 -0.20 -0.62 0.23 0.00 0.00 176.35 172.30 2dh8 s ASP 18 N -2.92 3.59 0.50 2.29 2.15 -1.26 -4.36 116.67 116.66 2dh8 s ASP 18 Ca 0.66 -0.40 0.40 0.00 0.43 0.00 0.00 52.55 53.64 2dh8 s ASP 18 Cb -0.22 -0.56 1.58 0.00 -0.30 0.00 0.00 42.92 43.42 2dh8 s ASP 18 CO 0.60 0.30 1.62 4.11 -0.17 0.00 0.00 175.17 181.63 2dh8 h TRP 19 N 5.02 0.25 0.12 -5.34 5.08 -1.87 0.40 115.95 119.60 2dh8 h TRP 19 Ca -0.46 0.01 -0.01 0.00 1.08 0.00 0.00 58.89 59.51 2dh8 h TRP 19 Cb 1.14 -0.06 0.00 0.00 -3.00 0.00 0.00 29.16 27.25 2dh8 h TRP 19 CO 0.48 -0.10 -0.06 0.66 -1.28 0.00 0.00 178.44 178.14 2dh8 h SER 20 N 0.03 -0.13 -0.73 0.11 4.64 -1.94 -3.36 113.55 112.17 2dh8 h SER 20 Ca 0.85 -0.40 -0.54 0.00 -0.47 0.00 0.00 61.79 61.24 2dh8 h SER 20 Cb 3.08 0.03 0.06 0.00 -0.31 0.00 0.00 62.40 65.26 2dh8 h SER 20 CO -0.21 0.37 -0.15 0.41 -0.87 0.00 0.00 176.83 176.38 2dh8 n THR 21 N -4.92 0.66 -4.42 2.95 -1.04 0.14 -4.95 114.28 102.70 2dh8 n THR 21 Ca -0.08 -0.16 -0.25 0.00 -2.04 0.00 0.00 64.05 61.51 2dh8 n THR 21 Cb 0.27 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.68 2dh8 n THR 21 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2dh8 s THR 22 N -0.33 2.58 0.39 12.58 -4.23 -1.26 -4.83 115.64 120.54 2dh8 s THR 22 Ca 0.57 -2.12 0.13 0.00 -1.18 0.00 0.00 61.69 59.09 2dh8 s THR 22 Cb -0.81 -2.65 0.12 0.00 1.34 0.00 0.00 72.50 70.49 2dh8 s THR 22 CO 0.41 -0.26 1.87 1.56 -0.54 0.00 0.00 174.62 177.66 2dh8 h GLN 23 N 1.98 0.00 0.36 3.99 4.20 -1.95 -1.90 115.11 121.78 2dh8 h GLN 23 Ca -0.42 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.27 2dh8 h GLN 23 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.04 2dh8 h GLN 23 CO 0.66 0.32 -0.17 0.93 -0.67 0.00 0.00 178.83 179.89 2dh8 h GLU 24 N 0.00 -0.46 -0.44 1.46 3.07 -1.98 -2.31 114.58 113.92 2dh8 h GLU 24 Ca -0.00 0.03 0.11 0.00 -0.50 0.00 0.00 59.36 59.00 2dh8 h GLU 24 Cb 0.57 0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.56 2dh8 h GLU 24 CO 0.04 -0.31 0.31 1.15 -1.40 0.00 0.00 179.01 178.80 2dh8 h THR 25 N -0.62 0.83 -0.59 1.13 2.02 -1.99 -0.55 112.91 113.15 2dh8 h THR 25 Ca -0.05 -0.04 -0.07 0.00 0.77 0.00 0.00 66.41 67.03 2dh8 h THR 25 Cb 0.37 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 2dh8 h THR 25 CO 0.08 0.02 0.10 0.25 0.37 0.00 0.00 175.52 176.34 2dh8 h LEU 26 N 0.11 0.89 0.21 2.58 5.85 -1.31 -2.14 115.31 121.49 2dh8 h LEU 26 Ca 0.21 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2dh8 h LEU 26 Cb 0.68 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 2dh8 h LEU 26 CO -0.02 0.89 -0.16 0.03 -0.34 0.00 0.00 178.44 178.84 2dh8 h ARG 27 N 0.89 -0.34 0.09 1.25 3.08 -0.50 -2.70 114.38 116.15 2dh8 h ARG 27 Ca 0.18 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.28 2dh8 h ARG 27 Cb 0.38 0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.46 2dh8 h ARG 27 CO 0.01 -0.23 -0.46 0.77 -1.07 0.00 0.00 179.97 178.99 2dh8 h SER 28 N -0.36 -1.39 -0.75 7.04 0.02 -1.59 0.64 113.55 117.16 2dh8 h SER 28 Ca -0.03 0.15 0.27 0.00 -0.84 0.00 0.00 61.79 61.34 2dh8 h SER 28 Cb 0.30 0.52 -0.14 0.00 0.14 0.00 0.00 62.40 63.22 2dh8 h SER 28 CO 0.01 -0.51 0.22 0.00 -1.14 0.00 0.00 176.83 175.41 2dh8 n TYR 29 N -5.47 0.69 -0.01 3.45 9.36 -0.81 0.24 117.16 124.62 2dh8 n TYR 29 Ca -0.07 0.90 -0.07 0.00 3.32 0.00 0.00 57.90 61.98 2dh8 n TYR 29 Cb 0.39 -1.20 -0.13 0.00 -0.63 0.00 0.00 39.34 37.78 2dh8 n TYR 29 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 2dh8 h PHE 30 N 0.00 0.00 -0.77 2.98 0.04 -0.93 -3.36 116.94 114.89 2dh8 h PHE 30 Ca 0.55 0.00 0.12 0.00 2.80 0.00 0.00 57.97 61.45 2dh8 h PHE 30 Cb 1.34 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 39.41 2dh8 h PHE 30 CO -0.18 0.92 0.37 1.03 -0.60 0.00 0.00 178.31 179.85 2dh8 h SER 31 N 0.00 0.43 -0.97 2.17 0.87 0.88 0.12 113.55 117.06 2dh8 h SER 31 Ca -0.24 0.08 0.26 0.00 -1.23 0.00 0.00 61.79 60.66 2dh8 h SER 31 Cb 1.92 0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 63.85 2dh8 h SER 31 CO 0.08 0.21 0.67 0.06 -0.53 0.00 0.00 176.83 177.31 2dh8 h GLN 32 N 0.56 0.14 0.00 2.24 3.07 -1.41 -2.41 115.11 117.31 2dh8 h GLN 32 Ca 0.41 -0.01 -0.12 0.00 0.09 0.00 0.00 58.65 59.02 2dh8 h GLN 32 Cb 0.53 -0.03 -0.02 0.00 0.08 0.00 0.00 27.48 28.05 2dh8 h GLN 32 CO -0.34 0.09 -0.76 1.88 0.09 0.00 0.00 178.83 179.79 2dh8 h TYR 33 N 0.14 0.00 -3.78 0.06 -1.99 -1.07 -3.49 116.97 106.85 2dh8 h TYR 33 Ca 0.48 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 61.04 2dh8 h TYR 33 Cb 1.66 0.00 -0.23 0.00 2.00 0.00 0.00 36.73 40.16 2dh8 h TYR 33 CO -0.00 0.89 -0.64 0.20 -0.00 0.00 0.00 178.16 178.60 2dh8 s GLY 34 N -4.48 0.12 -0.63 3.88 0.00 -0.29 -4.96 107.32 100.96 2dh8 s GLY 34 Ca -0.21 -0.30 -0.27 0.00 0.00 0.00 0.00 44.72 43.95 2dh8 s GLY 34 CO 0.45 -0.37 2.47 -2.21 0.00 0.00 0.00 173.10 173.45 2dh8 n GLU 35 N 1.96 0.76 -1.80 2.90 2.13 -1.26 -3.73 120.64 121.60 2dh8 n GLU 35 Ca -0.21 -0.09 -0.42 0.00 0.66 0.00 0.00 57.16 57.11 2dh8 n GLU 35 Cb 0.56 -3.03 -0.03 0.00 0.27 0.00 0.00 31.44 29.21 2dh8 n GLU 35 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2dh8 s VAL 36 N 11.56 2.43 -0.24 6.31 1.01 -1.26 -1.90 120.40 138.31 2dh8 s VAL 36 Ca 1.06 0.20 -0.00 0.00 0.00 0.00 0.00 61.98 63.23 2dh8 s VAL 36 Cb -0.40 -3.13 -0.15 0.00 0.00 0.00 0.00 36.38 32.71 2dh8 s VAL 36 CO 0.30 0.01 -0.23 0.52 0.00 0.00 0.00 175.10 175.70 2dh8 n VAL 37 N 4.25 1.36 -3.68 2.92 0.31 -0.11 -4.87 118.33 118.52 2dh8 n VAL 37 Ca 0.16 -0.49 -0.09 0.00 -0.01 0.00 0.00 64.34 63.90 2dh8 n VAL 37 Cb 0.37 -1.41 -0.10 0.00 -0.91 0.00 0.00 33.84 31.79 2dh8 n VAL 37 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2dh8 s ASP 38 N -6.44 -0.65 -0.00 4.52 2.15 -1.25 -4.98 116.67 110.02 2dh8 s ASP 38 Ca -0.32 1.09 0.05 0.00 0.43 0.00 0.00 52.55 53.79 2dh8 s ASP 38 Cb 0.09 0.97 -0.03 0.00 -0.30 0.00 0.00 42.92 43.65 2dh8 s ASP 38 CO 0.53 -0.21 -0.13 0.00 -0.17 0.00 0.00 175.17 175.19 2dh8 s VAL 40 N -0.88 0.01 -0.29 0.00 1.01 0.57 -4.98 120.40 115.84 2dh8 s VAL 40 Ca 0.14 -0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.05 2dh8 s VAL 40 Cb -0.11 -0.05 0.09 0.00 0.00 0.00 0.00 36.38 36.31 2dh8 s VAL 40 CO 0.04 -0.03 0.10 -0.63 0.00 0.00 0.00 175.10 174.58 2dh8 s ILE 41 N -0.07 0.58 0.26 2.22 1.01 -1.26 -0.05 121.20 123.88 2dh8 s ILE 41 Ca -0.01 -1.12 -0.30 0.00 0.00 0.00 0.00 60.65 59.22 2dh8 s ILE 41 Cb -0.01 -1.40 -0.14 0.00 0.01 0.00 0.00 42.46 40.92 2dh8 s ILE 41 CO -0.00 -0.62 1.26 0.23 0.00 0.00 0.00 174.94 175.81 2dh8 n MET 42 N 4.98 1.76 -4.28 2.79 2.81 -0.16 -4.84 117.12 120.19 2dh8 n MET 42 Ca -0.04 0.62 -0.16 0.00 -1.81 0.00 0.00 57.70 56.31 2dh8 n MET 42 Cb 0.43 -2.18 -0.10 0.00 -0.71 0.00 0.00 33.22 30.66 2dh8 n MET 42 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2dh8 s LYS 43 N -0.91 1.15 1.15 0.03 1.02 -1.26 -0.94 119.74 119.98 2dh8 s LYS 43 Ca 0.65 -1.46 -0.15 0.00 0.02 0.00 0.00 55.97 55.03 2dh8 s LYS 43 Cb -0.68 -0.85 0.21 0.00 -0.52 0.00 0.00 37.83 36.00 2dh8 s LYS 43 CO 0.55 0.13 0.62 -3.47 -0.92 0.00 0.00 175.35 172.25 2dh8 n ASP 44 N -0.13 -1.97 -0.04 2.83 2.03 -0.68 -4.74 116.55 113.85 2dh8 n ASP 44 Ca -0.10 -0.13 -0.11 0.00 0.52 0.00 0.00 54.79 54.97 2dh8 n ASP 44 Cb 0.60 -1.15 -0.09 0.00 -0.72 0.00 0.00 41.12 39.76 2dh8 n ASP 44 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2dh8 h LYS 45 N -2.42 -0.04 0.00 -0.67 1.63 -1.96 -3.10 116.57 110.00 2dh8 h LYS 45 Ca -0.58 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.22 2dh8 h LYS 45 Cb 1.34 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.98 2dh8 h LYS 45 CO 0.44 0.61 -0.27 1.15 -3.45 0.00 0.00 179.45 177.93 2dh8 h THR 46 N -0.92 0.00 -0.56 1.00 2.02 -2.01 -3.38 112.91 109.06 2dh8 h THR 46 Ca -0.00 -0.58 0.12 0.00 0.77 0.00 0.00 66.41 66.72 2dh8 h THR 46 Cb 0.68 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 2dh8 h THR 46 CO 0.01 0.00 0.38 0.74 0.37 0.00 0.00 175.52 177.02 2dh8 h THR 47 N -0.58 0.82 -5.98 3.16 2.02 -1.98 -3.45 112.91 106.91 2dh8 h THR 47 Ca 0.00 -0.07 -0.41 0.00 0.77 0.00 0.00 66.41 66.69 2dh8 h THR 47 Cb 0.27 0.59 0.08 0.00 -1.74 0.00 0.00 68.15 67.36 2dh8 h THR 47 CO 0.00 0.04 -0.73 0.59 0.37 0.00 0.00 175.52 175.79 2dh8 n ASN 48 N -4.44 -4.81 -4.46 4.18 3.02 -1.17 -4.89 115.26 102.69 2dh8 n ASN 48 Ca 0.10 -0.65 -0.33 0.00 -0.03 0.00 0.00 54.58 53.67 2dh8 n ASN 48 Cb 0.48 -4.62 -0.13 0.00 -0.61 0.00 0.00 39.78 34.90 2dh8 n ASN 48 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2dh8 s GLN 49 N -6.24 2.78 -0.76 3.52 -1.52 -1.26 -4.57 119.66 111.60 2dh8 s GLN 49 Ca 0.47 -0.68 -0.20 0.00 -1.95 0.00 0.00 55.36 53.00 2dh8 s GLN 49 Cb -0.22 -2.47 -0.19 0.00 -0.22 0.00 0.00 33.01 29.91 2dh8 s GLN 49 CO 0.77 0.51 1.97 0.45 -0.25 0.00 0.00 175.29 178.74 2dh8 n SER 50 N 2.65 -0.08 -0.33 5.90 2.88 -1.26 -1.69 113.62 121.69 2dh8 n SER 50 Ca -0.17 0.01 0.21 0.00 -1.33 0.00 0.00 58.87 57.59 2dh8 n SER 50 Cb 0.52 -0.64 0.47 0.00 -0.75 0.00 0.00 64.21 63.81 2dh8 n SER 50 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2dh8 h ARG 51 N 9.01 0.45 0.00 -1.46 3.08 -1.33 -3.25 114.38 120.88 2dh8 h ARG 51 Ca -0.02 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2dh8 h ARG 51 Cb 0.97 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.92 2dh8 h ARG 51 CO 1.10 0.29 0.00 0.41 -1.07 0.00 0.00 179.97 180.71 2dh8 n GLY 52 N -1.42 0.71 3.59 0.04 0.00 -1.26 -4.81 105.19 102.04 2dh8 n GLY 52 Ca 0.26 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.21 2dh8 n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2dh8 s PHE 53 N -0.71 -0.24 0.00 1.61 -0.71 -1.26 -0.84 117.98 115.83 2dh8 s PHE 53 Ca 0.00 0.34 0.00 0.00 -1.04 0.00 0.00 56.93 56.23 2dh8 s PHE 53 Cb 0.00 0.48 0.00 0.00 -1.21 0.00 0.00 43.02 42.29 2dh8 s PHE 53 CO 0.00 -0.26 0.00 0.41 -1.34 0.00 0.00 175.22 174.03 2dh8 n GLY 54 N 0.42 3.84 3.44 1.99 0.00 -1.00 -0.98 105.19 112.89 2dh8 n GLY 54 Ca -0.05 -0.32 -0.16 0.00 0.00 0.00 0.00 46.02 45.48 2dh8 n GLY 54 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dh8 s PHE 55 N -0.09 -0.52 -0.05 1.61 0.40 0.93 -3.01 117.98 117.25 2dh8 s PHE 55 Ca 0.00 0.82 -0.01 0.00 -0.60 0.00 0.00 56.93 57.13 2dh8 s PHE 55 Cb 0.00 0.34 0.03 0.00 0.51 0.00 0.00 43.02 43.90 2dh8 s PHE 55 CO 0.00 -0.58 0.03 0.08 0.70 0.00 0.00 175.22 175.45 2dh8 s VAL 56 N -1.50 0.11 0.08 -0.44 1.01 0.86 -0.31 120.40 120.21 2dh8 s VAL 56 Ca -0.10 0.24 -0.12 0.00 0.00 0.00 0.00 61.98 61.99 2dh8 s VAL 56 Cb -0.01 -0.29 -0.06 0.00 0.00 0.00 0.00 36.38 36.01 2dh8 s VAL 56 CO 0.06 0.19 0.44 -0.75 0.00 0.00 0.00 175.10 175.05 2dh8 s LYS 57 N 1.75 3.87 -0.09 2.72 2.20 0.81 0.46 119.74 131.46 2dh8 s LYS 57 Ca 0.00 0.33 0.03 0.00 -0.36 0.00 0.00 55.97 55.97 2dh8 s LYS 57 Cb -0.13 -3.04 0.01 0.00 -1.51 0.00 0.00 37.83 33.16 2dh8 s LYS 57 CO -0.03 0.57 -0.18 -0.06 -0.36 0.00 0.00 175.35 175.29 2dh8 s PHE 58 N -1.33 2.04 0.33 4.03 0.08 0.55 -0.93 117.98 122.75 2dh8 s PHE 58 Ca 0.32 -0.82 0.08 0.00 0.12 0.00 0.00 56.93 56.63 2dh8 s PHE 58 Cb -0.15 -1.41 0.95 0.00 -0.57 0.00 0.00 43.02 41.83 2dh8 s PHE 58 CO 0.17 -0.36 1.58 -0.22 -0.10 0.00 0.00 175.22 176.29 2dh8 h LYS 59 N 6.88 0.04 -6.47 0.44 3.64 -1.69 -3.38 116.57 116.02 2dh8 h LYS 59 Ca -0.25 -0.00 -0.69 0.00 -1.27 0.00 0.00 60.65 58.43 2dh8 h LYS 59 Cb 1.21 -0.01 -0.25 0.00 -0.41 0.00 0.00 32.23 32.77 2dh8 h LYS 59 CO 0.47 0.02 -0.82 0.34 -2.27 0.00 0.00 179.45 177.20 2dh8 s ASP 60 N -4.86 3.65 0.00 4.20 -1.08 -1.26 -5.00 116.67 112.32 2dh8 s ASP 60 Ca -0.12 -0.33 0.12 0.00 -0.52 0.00 0.00 52.55 51.70 2dh8 s ASP 60 Cb 0.30 -0.63 0.72 0.00 -1.46 0.00 0.00 42.92 41.85 2dh8 s ASP 60 CO 0.78 0.32 1.15 -0.81 0.52 0.00 0.00 175.17 177.13 2dh8 n PRO 61 N 2.20 0.49 -0.02 4.34 -0.04 -1.26 -2.33 135.00 138.37 2dh8 n PRO 61 Ca -0.17 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.22 2dh8 n PRO 61 Cb 0.52 -1.38 -0.13 0.00 -0.04 0.00 0.00 33.50 32.46 2dh8 n PRO 61 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2dh8 n ASN 62 N -0.88 0.79 -0.30 3.54 5.15 -1.26 -4.11 115.26 118.17 2dh8 n ASN 62 Ca 0.09 0.37 0.01 0.00 -0.60 0.00 0.00 54.58 54.45 2dh8 n ASN 62 Cb 0.04 0.08 0.19 0.00 -0.53 0.00 0.00 39.78 39.56 2dh8 n ASN 62 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2dh8 h VAL 64 N 1.16 0.24 0.28 0.00 2.07 -1.74 -2.39 116.25 115.87 2dh8 h VAL 64 Ca 0.34 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.86 2dh8 h VAL 64 Cb -0.05 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 2dh8 h VAL 64 CO -0.09 0.00 -0.28 1.23 0.02 0.00 0.00 177.57 178.45 2dh8 h GLY 65 N -0.29 -0.63 -0.91 2.17 0.00 -1.72 -0.68 103.07 101.01 2dh8 h GLY 65 Ca 0.15 0.32 0.30 0.00 0.00 0.00 0.00 47.33 48.09 2dh8 h GLY 65 CO -0.49 -0.25 0.15 -0.84 0.00 0.00 0.00 176.54 175.11 2dh8 h THR 66 N -0.59 0.05 -0.10 4.70 2.02 -1.33 0.39 112.91 118.06 2dh8 h THR 66 Ca -0.01 -0.01 -0.10 0.00 0.77 0.00 0.00 66.41 67.06 2dh8 h THR 66 Cb 0.54 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 2dh8 h THR 66 CO -0.06 0.01 -0.34 0.58 0.37 0.00 0.00 175.52 176.08 2dh8 h VAL 67 N 0.03 1.40 -0.57 3.16 2.07 -1.04 -3.08 116.25 118.22 2dh8 h VAL 67 Ca 0.64 -1.69 0.10 0.00 0.82 0.00 0.00 66.70 66.57 2dh8 h VAL 67 Cb 1.42 2.21 -0.08 0.00 -1.52 0.00 0.00 31.29 33.32 2dh8 h VAL 67 CO -0.86 0.49 0.15 -0.07 0.02 0.00 0.00 177.57 177.30 2dh8 h LEU 68 N -0.05 0.07 -1.54 2.57 3.38 0.12 0.13 115.31 119.99 2dh8 h LEU 68 Ca -0.02 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2dh8 h LEU 68 Cb 0.97 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 2dh8 h LEU 68 CO 0.07 0.05 0.26 0.00 0.09 0.00 0.00 178.44 178.91 2dh8 h ALA 69 N 1.44 1.66 0.00 1.53 0.00 -0.87 -1.16 119.26 121.85 2dh8 h ALA 69 Ca 0.29 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 2dh8 h ALA 69 Cb 0.41 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2dh8 h ALA 69 CO -0.35 0.30 -0.20 1.03 0.00 0.00 0.00 179.25 180.03 2dh8 h SER 70 N 0.58 0.00 -1.61 0.00 0.87 -0.89 -3.45 113.55 109.05 2dh8 h SER 70 Ca 0.15 0.00 -0.48 0.00 -1.23 0.00 0.00 61.79 60.24 2dh8 h SER 70 Cb -0.03 0.00 0.15 0.00 -0.44 0.00 0.00 62.40 62.08 2dh8 h SER 70 CO -0.03 0.20 -1.00 0.54 -0.53 0.00 0.00 176.83 176.01 2dh8 n ARG 71 N -3.87 0.00 -0.64 2.24 1.74 -0.44 -4.73 116.66 110.96 2dh8 n ARG 71 Ca -0.02 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.88 2dh8 n ARG 71 Cb 0.29 -0.80 0.15 0.00 -1.02 0.00 0.00 32.46 31.08 2dh8 n ARG 71 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2dh8 n PRO 72 N 1.31 -2.35 -4.02 5.56 -0.04 -1.26 -5.09 135.00 129.11 2dh8 n PRO 72 Ca 0.05 -1.08 -0.12 0.00 -0.04 0.00 0.00 63.50 62.32 2dh8 n PRO 72 Cb 0.39 -1.01 -0.12 0.00 -0.04 0.00 0.00 33.50 32.72 2dh8 n PRO 72 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2dh8 s HIS 73 N -2.22 0.42 -0.23 0.54 3.76 -1.13 -5.08 115.29 111.36 2dh8 s HIS 73 Ca 0.44 -0.43 -0.04 0.00 -0.15 0.00 0.00 55.06 54.88 2dh8 s HIS 73 Cb -0.04 -0.27 0.09 0.00 1.11 0.00 0.00 32.58 33.47 2dh8 s HIS 73 CO 0.34 -0.11 0.15 0.99 -0.85 0.00 0.00 174.74 175.26 2dh8 s THR 74 N -1.16 -0.17 -0.09 1.30 2.01 -1.26 -1.13 115.64 115.13 2dh8 s THR 74 Ca -0.10 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 61.52 2dh8 s THR 74 Cb -0.08 -0.79 -0.01 0.00 0.01 0.00 0.00 72.50 71.63 2dh8 s THR 74 CO -0.00 -0.45 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.06 2dh8 s LEU 75 N 2.19 2.33 -0.86 4.42 2.96 -0.73 -4.72 118.68 124.27 2dh8 s LEU 75 Ca 0.06 -0.45 -0.02 0.00 -0.22 0.00 0.00 54.13 53.51 2dh8 s LEU 75 Cb -0.16 -1.47 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 2dh8 s LEU 75 CO -0.23 0.20 0.73 -0.67 -1.32 0.00 0.00 176.35 175.07 2dh8 n ASP 76 N 3.27 -3.35 -1.39 3.68 -0.08 -1.26 -2.44 116.55 114.97 2dh8 n ASP 76 Ca -0.18 -0.49 -0.06 0.00 -1.51 0.00 0.00 54.79 52.55 2dh8 n ASP 76 Cb 0.53 -4.02 -0.02 0.00 2.34 0.00 0.00 41.12 39.95 2dh8 n ASP 76 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dh8 n GLY 77 N -1.17 0.36 3.18 0.27 0.00 -1.26 -4.88 105.19 101.69 2dh8 n GLY 77 Ca -0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 2dh8 n GLY 77 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dh8 s ARG 78 N -2.92 1.84 -0.25 1.61 6.06 -1.02 -5.10 118.95 119.17 2dh8 s ARG 78 Ca 0.00 -0.69 -0.29 0.00 -2.50 0.00 0.00 55.73 52.25 2dh8 s ARG 78 Cb 0.00 -1.65 -0.01 0.00 0.06 0.00 0.00 34.95 33.35 2dh8 s ARG 78 CO 0.00 0.33 1.30 1.21 -2.50 0.00 0.00 175.30 175.64 2dh8 s ASN 79 N -0.18 6.76 0.29 -2.12 3.84 -1.26 -1.77 114.94 120.50 2dh8 s ASN 79 Ca 0.00 1.40 0.06 0.00 0.21 0.00 0.00 52.86 54.54 2dh8 s ASN 79 Cb -0.10 -2.54 -0.06 0.00 -0.55 0.00 0.00 41.25 38.00 2dh8 s ASN 79 CO 0.01 -0.97 -0.03 0.27 -2.79 0.00 0.00 177.10 173.59 2dh8 s ILE 80 N 4.10 1.55 -0.25 -5.21 -4.36 -0.29 -4.49 121.20 112.25 2dh8 s ILE 80 Ca 0.56 -2.09 -0.03 0.00 -0.26 0.00 0.00 60.65 58.83 2dh8 s ILE 80 Cb -0.19 -2.54 0.14 0.00 1.25 0.00 0.00 42.46 41.12 2dh8 s ILE 80 CO 0.20 -0.23 0.42 -0.62 0.24 0.00 0.00 174.94 174.95 2dh8 s ASP 81 N -3.46 -0.10 0.98 4.36 2.15 -0.64 -2.83 116.67 117.13 2dh8 s ASP 81 Ca 0.31 0.45 -0.12 0.00 0.43 0.00 0.00 52.55 53.62 2dh8 s ASP 81 Cb 0.05 1.33 0.17 0.00 -0.30 0.00 0.00 42.92 44.17 2dh8 s ASP 81 CO 0.13 -0.28 1.09 -2.16 -0.17 0.00 0.00 175.17 173.78 2dh8 s PRO 82 N 2.61 0.62 -0.00 4.34 0.04 -1.26 -0.75 135.00 140.60 2dh8 s PRO 82 Ca 0.12 0.60 -0.04 0.00 0.04 0.00 0.00 61.00 61.71 2dh8 s PRO 82 Cb -0.15 -1.75 -0.00 0.00 0.04 0.00 0.00 34.50 32.64 2dh8 s PRO 82 CO -0.16 -2.62 0.08 0.15 0.04 0.00 0.00 177.00 174.48 2dh8 s LYS 83 N -4.95 0.32 0.00 4.56 -0.14 0.29 -4.84 119.74 114.97 2dh8 s LYS 83 Ca 0.65 -0.29 0.11 0.00 -1.36 0.00 0.00 55.97 55.08 2dh8 s LYS 83 Cb -0.18 0.13 0.65 0.00 -1.68 0.00 0.00 37.83 36.75 2dh8 s LYS 83 CO 0.57 -0.06 1.09 -0.35 -0.76 0.00 0.00 175.35 175.84 2dh8 n PRO 84 N 1.99 0.49 -3.95 -1.68 -0.04 -1.26 -1.28 135.00 129.27 2dh8 n PRO 84 Ca -0.20 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 62.96 2dh8 n PRO 84 Cb 0.57 -1.35 0.01 0.00 -0.04 0.00 0.00 33.50 32.69 2dh8 n PRO 84 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dh8 s THR 86 N -3.40 2.67 -0.57 0.00 -4.23 -1.26 -4.72 115.64 104.12 2dh8 s THR 86 Ca 0.54 -1.81 -0.27 0.00 -1.18 0.00 0.00 61.69 58.97 2dh8 s THR 86 Cb -0.28 -2.27 -0.02 0.00 1.34 0.00 0.00 72.50 71.27 2dh8 s THR 86 CO 0.85 -0.06 1.83 -2.16 -0.54 0.00 0.00 174.62 174.55 2dh8 s PRO 87 N -2.57 2.75 -0.36 3.99 0.04 -1.26 -4.88 135.00 132.71 2dh8 s PRO 87 Ca 0.21 0.72 -0.33 0.00 0.04 0.00 0.00 61.00 61.64 2dh8 s PRO 87 Cb -0.09 -4.35 -0.14 0.00 0.04 0.00 0.00 34.50 29.96 2dh8 s PRO 87 CO 0.11 -2.58 1.30 -2.13 0.04 0.00 0.00 177.00 173.75 2dh8 n ARG 88 N 9.05 0.00 0.00 4.56 0.63 -1.26 -3.22 116.66 126.41 2dh8 n ARG 88 Ca 0.20 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.13 2dh8 n ARG 88 Cb 0.51 -1.09 0.00 0.00 0.45 0.00 0.00 32.46 32.33 2dh8 n ARG 88 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2dh8 n GLY 89 N 3.82 1.51 3.63 5.14 0.00 -1.26 -4.26 105.19 113.77 2dh8 n GLY 89 Ca 0.29 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 2dh8 n GLY 89 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dh8 s MET 90 N 0.00 3.82 0.70 1.61 -1.94 -1.20 -4.99 119.30 117.31 2dh8 s MET 90 Ca 0.00 1.65 -0.11 0.00 -1.71 0.00 0.00 55.69 55.52 2dh8 s MET 90 Cb 0.00 -4.02 0.01 0.00 2.01 0.00 0.00 34.83 32.84 2dh8 s MET 90 CO 0.00 -1.26 1.06 -0.65 -0.01 0.00 0.00 175.02 174.17 2dh8 s GLN 91 N 4.59 2.88 0.18 2.03 -1.52 -1.26 -4.88 119.66 121.68 2dh8 s GLN 91 Ca 0.70 0.87 -0.06 0.00 -1.95 0.00 0.00 55.36 54.92 2dh8 s GLN 91 Cb -0.24 -1.99 0.09 0.00 -0.22 0.00 0.00 33.01 30.65 2dh8 s GLN 91 CO 0.28 -1.12 1.53 -1.00 -0.25 0.00 0.00 175.29 174.74 2dh8 h PRO 92 N -0.73 0.74 -6.94 2.91 0.13 -2.02 -3.46 132.00 122.62 2dh8 h PRO 92 Ca -0.44 -0.39 -0.59 0.00 -0.87 0.00 0.00 66.00 63.71 2dh8 h PRO 92 Cb 1.22 0.01 -0.32 0.00 0.13 0.00 0.00 31.00 32.04 2dh8 h PRO 92 CO 0.58 1.01 -0.86 -1.13 -0.23 0.00 0.00 178.00 177.36 2dh8 n SER 93 N -4.04 -1.06 -4.72 1.44 3.41 -1.26 -4.90 113.62 102.50 2dh8 n SER 93 Ca -0.02 -1.18 -0.25 0.00 -0.26 0.00 0.00 58.87 57.16 2dh8 n SER 93 Cb 0.54 -1.49 -0.07 0.00 -0.26 0.00 0.00 64.21 62.93 2dh8 n SER 93 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dh8 s GLY 94 N -3.40 1.68 0.96 5.00 0.00 -1.26 -5.12 107.32 105.17 2dh8 s GLY 94 Ca 0.59 -1.36 -0.12 0.00 0.00 0.00 0.00 44.72 43.83 2dh8 s GLY 94 CO 0.96 -1.38 1.09 2.56 0.00 0.00 0.00 173.10 176.33 2dh8 s PRO 95 N -3.18 0.76 -1.58 2.90 0.04 -1.26 -3.66 135.00 129.01 2dh8 s PRO 95 Ca 0.30 0.64 -0.17 0.00 0.04 0.00 0.00 61.00 61.81 2dh8 s PRO 95 Cb -0.09 -1.76 0.17 0.00 0.04 0.00 0.00 34.50 32.85 2dh8 s PRO 95 CO 0.21 -2.54 0.41 0.43 0.04 0.00 0.00 177.00 175.55 2dh8 n SER 96 N -4.06 -1.08 -4.79 6.66 7.64 -1.26 -4.87 113.62 111.85 2dh8 n SER 96 Ca 0.06 -1.09 -0.36 0.00 1.01 0.00 0.00 58.87 58.48 2dh8 n SER 96 Cb 0.56 -1.39 -0.07 0.00 -1.01 0.00 0.00 64.21 62.30 2dh8 n SER 96 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dh8 s SER 97 N -3.22 6.35 0.00 6.43 1.04 -1.24 -5.10 113.70 117.96 2dh8 s SER 97 Ca 0.58 0.41 0.00 0.00 0.48 0.00 0.00 55.95 57.42 2dh8 s SER 97 Cb -0.34 -2.11 0.00 0.00 0.10 0.00 0.00 66.02 63.68 2dh8 s SER 97 CO 0.89 0.26 0.00 0.61 0.98 0.00 0.00 173.24 175.98