#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 1.81 -3.64 1.61 3.41 -1.26 -4.98 113.62 110.57 2dh8 n SER -5 Ca 0.00 -1.42 -0.08 0.00 -0.26 0.00 0.00 58.87 57.11 2dh8 n SER -5 Cb 0.00 -0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 63.86 2dh8 n SER -5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dh8 s SER -4 N -0.75 -0.91 -0.12 4.04 0.15 -1.26 -5.08 113.70 109.77 2dh8 s SER -4 Ca 0.11 1.49 -0.08 0.00 0.70 0.00 0.00 55.95 58.17 2dh8 s SER -4 Cb 0.07 1.39 0.03 0.00 -1.71 0.00 0.00 66.02 65.81 2dh8 s SER -4 CO 0.11 -0.24 0.16 0.61 1.20 0.00 0.00 173.24 175.08 2dh8 n GLY -3 N 4.03 -4.46 0.09 9.45 0.00 -1.26 -4.99 105.19 108.05 2dh8 n GLY -3 Ca -0.19 1.03 -0.17 0.00 0.00 0.00 0.00 46.02 46.69 2dh8 n GLY -3 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2dh8 h SER -2 N 2.61 0.15 -2.96 1.61 0.02 -1.97 -3.44 113.55 109.57 2dh8 h SER -2 Ca -0.37 -0.90 -0.57 0.00 -0.84 0.00 0.00 61.79 59.11 2dh8 h SER -2 Cb 0.83 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.28 2dh8 h SER -2 CO 0.01 1.23 1.11 -0.55 -1.14 0.00 0.00 176.83 177.48 2dh8 s SER -1 N -6.57 6.34 0.00 3.07 0.15 -1.26 -4.77 113.70 110.65 2dh8 s SER -1 Ca -0.19 1.28 0.00 0.00 0.70 0.00 0.00 55.95 57.73 2dh8 s SER -1 Cb -0.00 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2dh8 s SER -1 CO 0.71 -1.35 0.00 0.61 1.20 0.00 0.00 173.24 174.42 2dh8 n GLY 0 N 4.84 3.83 2.96 9.45 0.00 -1.26 -5.15 105.19 119.86 2dh8 n GLY 0 Ca 0.18 -1.36 -0.10 0.00 0.00 0.00 0.00 46.02 44.73 2dh8 n GLY 0 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dh8 s MET 1 N -5.40 0.27 -0.22 1.61 1.00 -1.26 -5.09 119.30 110.20 2dh8 s MET 1 Ca 0.00 -0.48 -0.13 0.00 0.00 0.00 0.00 55.69 55.08 2dh8 s MET 1 Cb 0.00 0.03 0.07 0.00 0.00 0.00 0.00 34.83 34.92 2dh8 s MET 1 CO 0.00 -0.02 0.55 1.21 0.00 0.00 0.00 175.02 176.75 2dh8 s ASN 2 N -1.12 -0.73 -0.44 3.03 2.47 -1.26 -5.13 114.94 111.78 2dh8 s ASN 2 Ca -0.11 1.20 -0.22 0.00 0.42 0.00 0.00 52.86 54.14 2dh8 s ASN 2 Cb -0.08 1.07 0.02 0.00 -1.45 0.00 0.00 41.25 40.82 2dh8 s ASN 2 CO -0.01 -0.22 0.74 0.20 -3.72 0.00 0.00 177.10 174.10 2dh8 s ASN 3 N 1.50 6.40 -0.10 -4.21 0.01 -1.26 -4.92 114.94 112.36 2dh8 s ASN 3 Ca -0.10 -0.12 -0.25 0.00 -0.71 0.00 0.00 52.86 51.68 2dh8 s ASN 3 Cb -0.07 -2.37 -0.29 0.00 0.41 0.00 0.00 41.25 38.94 2dh8 s ASN 3 CO -0.16 -0.85 0.82 -1.28 -1.51 0.00 0.00 177.10 174.12 2dh8 h SER 4 N 8.89 0.23 0.00 -1.22 0.87 -2.00 -3.50 113.55 116.83 2dh8 h SER 4 Ca -0.25 -0.97 0.00 0.00 -1.23 0.00 0.00 61.79 59.34 2dh8 h SER 4 Cb 1.09 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 2dh8 h SER 4 CO 0.93 1.21 0.00 0.61 -0.53 0.00 0.00 176.83 179.05 2dh8 n GLY 5 N 1.64 0.05 2.68 5.77 0.00 -1.26 -4.95 105.19 109.12 2dh8 n GLY 5 Ca -0.12 0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 2dh8 n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dh8 n ALA 6 N 0.00 6.11 0.00 4.61 0.00 -1.26 -4.44 120.51 125.52 2dh8 n ALA 6 Ca 0.00 -4.05 0.00 0.00 0.00 0.00 0.00 53.44 49.39 2dh8 n ALA 6 Cb 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 19.45 17.89 2dh8 n ALA 6 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2dh8 n ASP 7 N -0.60 4.04 -1.86 0.00 2.03 -1.26 -4.69 116.55 114.21 2dh8 n ASP 7 Ca 0.52 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.66 2dh8 n ASP 7 Cb 0.43 0.03 0.13 0.00 -0.72 0.00 0.00 41.12 40.99 2dh8 n ASP 7 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2dh8 n GLU 8 N -2.46 1.87 0.18 -0.67 1.02 -1.26 -4.48 120.64 114.84 2dh8 n GLU 8 Ca 0.00 -2.10 -0.12 0.00 -0.02 0.00 0.00 57.16 54.92 2dh8 n GLU 8 Cb 0.50 -1.82 -0.07 0.00 -0.02 0.00 0.00 31.44 30.02 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 0.70 0.48 -0.23 -3.67 2.04 -1.84 -3.17 117.51 111.82 2dh8 h ILE 9 Ca 0.45 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.65 2dh8 h ILE 9 Cb 2.31 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 39.12 2dh8 h ILE 9 CO 0.77 0.10 0.00 0.61 0.00 0.00 0.00 178.15 179.63 2dh8 n GLY 10 N -0.06 1.70 3.91 5.37 0.00 -1.26 -4.83 105.19 110.02 2dh8 n GLY 10 Ca -0.09 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.65 3.55 -0.18 1.61 2.20 -1.20 -0.86 119.74 123.21 2dh8 s LYS 11 Ca 0.20 -0.25 -0.04 0.00 -0.36 0.00 0.00 55.97 55.52 2dh8 s LYS 11 Cb 0.14 -2.87 0.06 0.00 -1.51 0.00 0.00 37.83 33.65 2dh8 s LYS 11 CO 0.07 0.46 0.07 -1.17 -0.36 0.00 0.00 175.35 174.42 2dh8 s LEU 12 N -2.93 0.63 -0.44 5.43 2.96 0.65 -4.41 118.68 120.57 2dh8 s LEU 12 Ca 0.39 -0.67 -0.23 0.00 -0.22 0.00 0.00 54.13 53.40 2dh8 s LEU 12 Cb -0.12 -0.36 0.02 0.00 0.50 0.00 0.00 46.19 46.23 2dh8 s LEU 12 CO 0.27 -0.33 0.75 0.12 -1.32 0.00 0.00 176.35 175.84 2dh8 s PHE 13 N 2.04 3.02 -0.17 5.38 2.19 0.12 -0.15 117.98 130.41 2dh8 s PHE 13 Ca 0.01 0.16 -0.26 0.00 0.33 0.00 0.00 56.93 57.17 2dh8 s PHE 13 Cb -0.16 -3.57 -0.01 0.00 -1.31 0.00 0.00 43.02 37.97 2dh8 s PHE 13 CO -0.09 -0.93 0.89 0.08 1.83 0.00 0.00 175.22 177.00 2dh8 s VAL 14 N 3.17 4.84 -0.27 3.12 1.01 -1.17 0.09 120.40 131.19 2dh8 s VAL 14 Ca 0.28 1.74 -0.01 0.00 0.00 0.00 0.00 61.98 63.99 2dh8 s VAL 14 Cb -0.13 -4.18 0.04 0.00 0.00 0.00 0.00 36.38 32.11 2dh8 s VAL 14 CO 0.21 -0.01 -0.04 -0.83 0.00 0.00 0.00 175.10 174.43 2dh8 s GLY 15 N 1.17 1.68 0.00 4.51 0.00 -0.04 -1.36 107.32 113.28 2dh8 s GLY 15 Ca 0.40 -1.59 0.00 0.00 0.00 0.00 0.00 44.72 43.53 2dh8 s GLY 15 CO 0.12 0.59 0.00 0.61 0.00 0.00 0.00 173.10 174.42 2dh8 n GLY 16 N 4.64 0.99 3.92 0.20 0.00 0.75 -1.21 105.19 114.48 2dh8 n GLY 16 Ca -0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 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 2.65 -0.06 0.99 2.01 -0.64 -3.94 118.68 119.69 2dh8 s LEU 17 Ca 0.00 0.58 0.05 0.00 0.01 0.00 0.00 54.13 54.77 2dh8 s LEU 17 Cb 0.00 -3.08 -0.02 0.00 0.01 0.00 0.00 46.19 43.10 2dh8 s LEU 17 CO 0.00 -1.88 -0.20 -0.62 1.01 0.00 0.00 176.35 174.66 2dh8 s ASP 18 N -4.59 3.53 0.62 2.29 2.15 -1.26 -4.29 116.67 115.12 2dh8 s ASP 18 Ca 0.63 -0.37 0.21 0.00 0.43 0.00 0.00 52.55 53.45 2dh8 s ASP 18 Cb -0.10 -0.84 0.85 0.00 -0.30 0.00 0.00 42.92 42.53 2dh8 s ASP 18 CO 0.48 0.29 1.37 4.11 -0.17 0.00 0.00 175.17 181.25 2dh8 h TRP 19 N 5.77 0.00 0.07 -5.34 5.08 -1.84 0.68 115.95 120.38 2dh8 h TRP 19 Ca -0.38 0.00 -0.19 0.00 1.08 0.00 0.00 58.89 59.39 2dh8 h TRP 19 Cb 1.16 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.32 2dh8 h TRP 19 CO 0.45 0.00 -0.98 1.03 -1.28 0.00 0.00 178.44 177.67 2dh8 h SER 20 N 0.00 0.25 -0.95 0.11 0.87 -1.94 -3.35 113.55 108.54 2dh8 h SER 20 Ca 0.30 -0.84 -0.45 0.00 -1.23 0.00 0.00 61.79 59.56 2dh8 h SER 20 Cb 2.27 -0.08 0.09 0.00 -0.44 0.00 0.00 62.40 64.24 2dh8 h SER 20 CO -0.00 1.42 -0.52 0.41 -0.53 0.00 0.00 176.83 177.61 2dh8 n THR 21 N -4.20 0.91 -4.31 2.23 -1.04 0.24 -4.97 114.28 103.15 2dh8 n THR 21 Ca -0.21 -0.35 -0.18 0.00 -2.04 0.00 0.00 64.05 61.27 2dh8 n THR 21 Cb 0.76 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 69.12 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 -0.95 0.66 0.33 12.58 -4.23 -1.26 -4.83 115.64 117.95 2dh8 s THR 22 Ca 0.43 -0.43 0.12 0.00 -1.18 0.00 0.00 61.69 60.64 2dh8 s THR 22 Cb -0.55 -0.57 0.33 0.00 1.34 0.00 0.00 72.50 73.06 2dh8 s THR 22 CO 0.42 0.14 1.64 1.56 -0.54 0.00 0.00 174.62 177.83 2dh8 h GLN 23 N 5.80 0.22 0.07 3.99 4.20 -1.93 0.10 115.11 127.56 2dh8 h GLN 23 Ca -0.31 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.39 2dh8 h GLN 23 Cb 1.18 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.89 2dh8 h GLN 23 CO 0.49 0.15 -0.26 0.93 -0.67 0.00 0.00 178.83 179.47 2dh8 h GLU 24 N 0.23 -0.36 -0.88 1.46 5.08 -1.95 0.21 114.58 118.37 2dh8 h GLU 24 Ca 0.71 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 59.09 2dh8 h GLU 24 Cb 1.63 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.92 2dh8 h GLU 24 CO -0.66 -0.24 0.55 1.15 -1.00 0.00 0.00 179.01 178.80 2dh8 h THR 25 N -0.38 1.24 -0.98 1.13 2.02 -1.66 -2.31 112.91 111.96 2dh8 h THR 25 Ca -0.00 -0.48 0.10 0.00 0.77 0.00 0.00 66.41 66.80 2dh8 h THR 25 Cb 0.37 -0.02 -0.07 0.00 -1.74 0.00 0.00 68.15 66.69 2dh8 h THR 25 CO -0.14 0.24 0.63 0.25 0.37 0.00 0.00 175.52 176.87 2dh8 h LEU 26 N 1.20 0.94 0.08 2.58 5.85 -0.49 -1.81 115.31 123.65 2dh8 h LEU 26 Ca 0.32 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 59.07 2dh8 h LEU 26 Cb -0.09 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.77 2dh8 h LEU 26 CO -0.06 0.54 -0.09 0.03 -0.34 0.00 0.00 178.44 178.52 2dh8 h ARG 27 N 1.03 -0.16 -0.18 1.25 3.08 0.01 -2.57 114.38 116.84 2dh8 h ARG 27 Ca 0.46 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.57 2dh8 h ARG 27 Cb 0.37 0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.39 2dh8 h ARG 27 CO -0.22 -0.11 -0.44 0.77 -1.07 0.00 0.00 179.97 178.91 2dh8 h SER 28 N -0.16 -1.38 -0.85 7.04 0.02 -1.53 0.68 113.55 117.36 2dh8 h SER 28 Ca -0.01 0.19 0.35 0.00 -0.84 0.00 0.00 61.79 61.48 2dh8 h SER 28 Cb 0.15 0.57 -0.15 0.00 0.14 0.00 0.00 62.40 63.10 2dh8 h SER 28 CO -0.02 -0.42 0.43 0.00 -1.14 0.00 0.00 176.83 175.68 2dh8 n TYR 29 N -5.43 0.97 -0.01 3.45 9.36 -0.69 0.22 117.16 125.02 2dh8 n TYR 29 Ca -0.04 1.00 -0.04 0.00 3.32 0.00 0.00 57.90 62.15 2dh8 n TYR 29 Cb 0.36 -1.40 -0.12 0.00 -0.63 0.00 0.00 39.34 37.56 2dh8 n TYR 29 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 2dh8 n PHE 30 N -4.93 0.81 -0.20 2.98 3.72 -0.17 -4.12 117.46 115.54 2dh8 n PHE 30 Ca 0.32 0.28 0.04 0.00 -0.05 0.00 0.00 57.45 58.03 2dh8 n PHE 30 Cb 1.07 -1.08 0.30 0.00 -0.94 0.00 0.00 39.48 38.83 2dh8 n PHE 30 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2dh8 h SER 31 N 0.00 0.76 -0.55 4.37 0.02 0.86 -0.78 113.55 118.23 2dh8 h SER 31 Ca -0.25 -0.01 0.16 0.00 -0.84 0.00 0.00 61.79 60.86 2dh8 h SER 31 Cb 1.79 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 64.13 2dh8 h SER 31 CO 0.05 0.52 0.47 0.06 -1.14 0.00 0.00 176.83 176.79 2dh8 h GLN 32 N 0.88 0.00 0.00 3.45 3.07 -1.27 -2.38 115.11 118.85 2dh8 h GLN 32 Ca 0.30 0.00 -0.25 0.00 0.09 0.00 0.00 58.65 58.79 2dh8 h GLN 32 Cb 0.10 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.63 2dh8 h GLN 32 CO -0.09 0.00 -1.39 0.66 0.09 0.00 0.00 178.83 178.10 2dh8 n TYR 33 N -4.02 0.91 -3.80 0.06 4.02 -0.36 -5.01 117.16 108.96 2dh8 n TYR 33 Ca 0.10 0.40 -0.12 0.00 -0.01 0.00 0.00 57.90 58.26 2dh8 n TYR 33 Cb 0.69 -1.09 -0.10 0.00 -0.02 0.00 0.00 39.34 38.82 2dh8 n TYR 33 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 2dh8 s GLY 34 N -4.92 -0.09 -0.44 2.72 0.00 -0.84 -5.01 107.32 98.74 2dh8 s GLY 34 Ca -0.30 0.24 -0.32 0.00 0.00 0.00 0.00 44.72 44.34 2dh8 s GLY 34 CO 0.58 0.08 2.30 -2.21 0.00 0.00 0.00 173.10 173.85 2dh8 n GLU 35 N 1.65 1.00 -2.28 2.90 2.13 -1.26 -3.90 120.64 120.89 2dh8 n GLU 35 Ca -0.20 0.22 -0.43 0.00 0.66 0.00 0.00 57.16 57.41 2dh8 n GLU 35 Cb 0.56 -2.59 -0.02 0.00 0.27 0.00 0.00 31.44 29.66 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 8.54 3.90 0.00 6.31 1.01 -1.26 -1.80 120.40 137.09 2dh8 s VAL 36 Ca 1.10 0.99 -0.16 0.00 0.00 0.00 0.00 61.98 63.91 2dh8 s VAL 36 Cb -0.74 -3.99 -0.34 0.00 0.00 0.00 0.00 36.38 31.31 2dh8 s VAL 36 CO 0.44 -0.48 0.92 0.58 0.00 0.00 0.00 175.10 176.55 2dh8 h VAL 37 N 6.19 1.25 -2.22 2.92 2.07 -1.47 -3.47 116.25 121.52 2dh8 h VAL 37 Ca -0.29 -2.64 -0.03 0.00 0.82 0.00 0.00 66.70 64.57 2dh8 h VAL 37 Cb 1.12 3.02 -0.23 0.00 -1.52 0.00 0.00 31.29 33.68 2dh8 h VAL 37 CO 1.04 0.80 -0.09 -0.62 0.02 0.00 0.00 177.57 178.71 2dh8 s ASP 38 N -7.44 -0.80 -0.05 0.57 2.15 -1.25 -4.98 116.67 104.87 2dh8 s ASP 38 Ca -0.11 1.30 0.04 0.00 0.43 0.00 0.00 52.55 54.21 2dh8 s ASP 38 Cb 0.04 1.20 -0.03 0.00 -0.30 0.00 0.00 42.92 43.83 2dh8 s ASP 38 CO 0.91 -0.22 -0.15 0.00 -0.17 0.00 0.00 175.17 175.54 2dh8 s VAL 40 N -0.68 0.19 -0.24 0.00 1.01 -0.66 -5.00 120.40 115.03 2dh8 s VAL 40 Ca 0.10 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 2dh8 s VAL 40 Cb -0.11 -0.27 0.08 0.00 0.00 0.00 0.00 36.38 36.08 2dh8 s VAL 40 CO 0.01 -0.31 0.09 -0.63 0.00 0.00 0.00 175.10 174.26 2dh8 s ILE 41 N -0.98 0.31 0.45 2.22 1.01 -1.26 -0.30 121.20 122.64 2dh8 s ILE 41 Ca -0.10 -0.71 -0.24 0.00 0.00 0.00 0.00 60.65 59.61 2dh8 s ILE 41 Cb -0.07 -1.06 -0.09 0.00 0.01 0.00 0.00 42.46 41.25 2dh8 s ILE 41 CO -0.00 -0.47 1.09 0.23 0.00 0.00 0.00 174.94 175.78 2dh8 n MET 42 N 5.11 1.45 -3.68 2.79 2.81 -0.45 -4.88 117.12 120.28 2dh8 n MET 42 Ca -0.06 0.52 -0.16 0.00 -1.81 0.00 0.00 57.70 56.19 2dh8 n MET 42 Cb 0.45 -2.17 -0.06 0.00 -0.71 0.00 0.00 33.22 30.73 2dh8 n MET 42 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2dh8 n LYS 43 N -0.09 0.44 -2.27 0.03 5.02 -1.26 -2.83 118.16 117.19 2dh8 n LYS 43 Ca 0.09 -2.47 -0.25 0.00 -2.02 0.00 0.00 58.31 53.66 2dh8 n LYS 43 Cb 0.41 1.77 0.06 0.00 -0.02 0.00 0.00 35.03 37.25 2dh8 n LYS 43 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2dh8 s ASP 44 N -2.75 4.87 -0.10 4.39 -1.08 -1.04 -4.71 116.67 116.25 2dh8 s ASP 44 Ca 0.24 0.37 -0.13 0.00 -0.52 0.00 0.00 52.55 52.51 2dh8 s ASP 44 Cb 0.01 -1.05 -0.10 0.00 -1.46 0.00 0.00 42.92 40.32 2dh8 s ASP 44 CO 0.17 -1.54 0.40 0.50 0.52 0.00 0.00 175.17 175.22 2dh8 h LYS 45 N -0.50 -0.08 0.03 4.34 3.64 -1.96 -2.92 116.57 119.12 2dh8 h LYS 45 Ca -0.44 0.01 -0.27 0.00 -1.27 0.00 0.00 60.65 58.68 2dh8 h LYS 45 Cb 1.31 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.12 2dh8 h LYS 45 CO 0.59 0.28 -1.45 2.41 -2.27 0.00 0.00 179.45 179.00 2dh8 n THR 46 N -4.79 1.59 0.23 1.00 -1.04 -1.26 -4.20 114.28 105.80 2dh8 n THR 46 Ca -0.05 -0.16 0.09 0.00 -2.04 0.00 0.00 64.05 61.89 2dh8 n THR 46 Cb 0.19 -1.98 0.52 0.00 -1.82 0.00 0.00 70.33 67.25 2dh8 n THR 46 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 2dh8 h THR 47 N -0.78 0.69 -6.37 12.58 2.02 -1.99 -3.46 112.91 115.60 2dh8 h THR 47 Ca -0.38 -1.01 -0.48 0.00 0.77 0.00 0.00 66.41 65.32 2dh8 h THR 47 Cb 1.46 1.64 -0.19 0.00 -1.74 0.00 0.00 68.15 69.32 2dh8 h THR 47 CO -0.16 0.23 -0.72 -0.46 0.37 0.00 0.00 175.52 174.78 2dh8 n ASN 48 N -3.58 -3.03 -4.37 4.18 6.94 -1.10 -4.83 115.26 109.47 2dh8 n ASN 48 Ca -0.01 -0.79 -0.32 0.00 -0.02 0.00 0.00 54.58 53.44 2dh8 n ASN 48 Cb 0.37 -2.52 -0.15 0.00 -2.36 0.00 0.00 39.78 35.13 2dh8 n ASN 48 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 2dh8 s GLN 49 N -6.62 2.87 -0.70 -3.83 -0.21 -1.26 -4.57 119.66 105.34 2dh8 s GLN 49 Ca 0.63 -0.76 -0.37 0.00 0.02 0.00 0.00 55.36 54.88 2dh8 s GLN 49 Cb -0.34 -2.41 -0.19 0.00 1.00 0.00 0.00 33.01 31.06 2dh8 s GLN 49 CO 0.77 0.39 2.39 0.43 -2.12 0.00 0.00 175.29 177.15 2dh8 n SER 50 N 2.98 0.71 -0.08 5.90 7.64 -1.26 -2.50 113.62 127.01 2dh8 n SER 50 Ca -0.18 0.40 -0.07 0.00 1.01 0.00 0.00 58.87 60.04 2dh8 n SER 50 Cb 0.52 -0.96 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 2dh8 n SER 50 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2dh8 h ARG 51 N 10.91 0.22 0.00 1.43 3.08 -1.80 -3.13 114.38 125.08 2dh8 h ARG 51 Ca -0.10 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.94 2dh8 h ARG 51 Cb 1.36 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.36 2dh8 h ARG 51 CO 1.22 0.14 0.00 0.41 -1.07 0.00 0.00 179.97 180.67 2dh8 n GLY 52 N -1.20 0.00 3.57 0.04 0.00 -1.26 -4.77 105.19 101.57 2dh8 n GLY 52 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 -0.22 0.00 1.61 -0.71 -1.26 -0.18 117.98 117.22 2dh8 s PHE 53 Ca 0.00 0.21 0.00 0.00 -1.04 0.00 0.00 56.93 56.10 2dh8 s PHE 53 Cb 0.00 0.51 0.00 0.00 -1.21 0.00 0.00 43.02 42.32 2dh8 s PHE 53 CO 0.00 -0.30 0.00 0.41 -1.34 0.00 0.00 175.22 173.99 2dh8 n GLY 54 N 0.08 3.16 3.52 1.99 0.00 -0.46 -1.34 105.19 112.13 2dh8 n GLY 54 Ca -0.04 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.32 -0.13 -0.25 1.61 0.08 0.58 -3.05 117.98 116.50 2dh8 s PHE 55 Ca 0.00 -0.20 -0.09 0.00 0.12 0.00 0.00 56.93 56.76 2dh8 s PHE 55 Cb 0.00 0.40 0.11 0.00 -0.57 0.00 0.00 43.02 42.95 2dh8 s PHE 55 CO 0.00 -0.91 0.53 0.08 -0.10 0.00 0.00 175.22 174.82 2dh8 s VAL 56 N -3.87 -0.76 0.12 -0.44 1.01 0.79 -1.65 120.40 115.60 2dh8 s VAL 56 Ca 0.09 0.08 -0.13 0.00 0.00 0.00 0.00 61.98 62.02 2dh8 s VAL 56 Cb -0.01 -0.83 -0.06 0.00 0.00 0.00 0.00 36.38 35.48 2dh8 s VAL 56 CO -0.03 0.03 0.49 -0.75 0.00 0.00 0.00 175.10 174.85 2dh8 s LYS 57 N 2.66 3.90 -0.12 2.72 2.20 0.74 -0.25 119.74 131.59 2dh8 s LYS 57 Ca -0.04 0.38 0.01 0.00 -0.36 0.00 0.00 55.97 55.95 2dh8 s LYS 57 Cb -0.12 -2.96 0.02 0.00 -1.51 0.00 0.00 37.83 33.26 2dh8 s LYS 57 CO -0.16 0.51 -0.13 -0.06 -0.36 0.00 0.00 175.35 175.15 2dh8 s PHE 58 N -1.43 1.93 0.56 4.03 0.08 -0.04 -1.15 117.98 121.95 2dh8 s PHE 58 Ca 0.36 -0.99 0.49 0.00 0.12 0.00 0.00 56.93 56.91 2dh8 s PHE 58 Cb -0.15 -1.44 1.72 0.00 -0.57 0.00 0.00 43.02 42.59 2dh8 s PHE 58 CO 0.19 -0.55 1.59 -0.22 -0.10 0.00 0.00 175.22 176.13 2dh8 h LYS 59 N 7.80 0.00 -6.07 0.44 3.64 -1.67 -3.37 116.57 117.35 2dh8 h LYS 59 Ca -0.34 -0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 58.42 2dh8 h LYS 59 Cb 1.15 -0.00 -0.30 0.00 -0.41 0.00 0.00 32.23 32.67 2dh8 h LYS 59 CO 0.49 0.00 -0.86 0.34 -2.27 0.00 0.00 179.45 177.15 2dh8 s ASP 60 N -4.00 2.55 0.50 4.20 2.15 -1.26 -5.02 116.67 115.77 2dh8 s ASP 60 Ca -0.05 -0.40 0.28 0.00 0.43 0.00 0.00 52.55 52.82 2dh8 s ASP 60 Cb 0.27 -0.34 1.19 0.00 -0.30 0.00 0.00 42.92 43.74 2dh8 s ASP 60 CO 0.89 0.26 1.93 1.55 -0.17 0.00 0.00 175.17 179.63 2dh8 h PRO 61 N 5.67 0.00 0.00 4.34 0.13 -1.88 -2.82 132.00 137.44 2dh8 h PRO 61 Ca -0.39 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.63 2dh8 h PRO 61 Cb 1.14 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 2dh8 h PRO 61 CO 0.48 0.13 -0.53 -0.97 -0.23 0.00 0.00 178.00 176.88 2dh8 h ASN 62 N 0.00 0.00 -0.67 1.44 -0.73 -1.93 -3.16 115.58 110.53 2dh8 h ASN 62 Ca -0.00 0.00 0.10 0.00 1.87 0.00 0.00 56.30 58.27 2dh8 h ASN 62 Cb 0.59 0.00 -0.07 0.00 0.27 0.00 0.00 38.32 39.10 2dh8 h ASN 62 CO 0.02 0.53 0.30 0.00 -0.37 0.00 0.00 177.43 177.90 2dh8 h VAL 64 N 0.51 0.29 -0.07 0.00 2.07 -1.71 -0.70 116.25 116.65 2dh8 h VAL 64 Ca 0.34 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.87 2dh8 h VAL 64 Cb 0.40 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 2dh8 h VAL 64 CO -0.30 0.01 -0.07 1.23 0.02 0.00 0.00 177.57 178.47 2dh8 h GLY 65 N 0.04 -0.01 -0.35 2.17 0.00 -1.53 -0.37 103.07 103.02 2dh8 h GLY 65 Ca 0.38 0.08 0.28 0.00 0.00 0.00 0.00 47.33 48.07 2dh8 h GLY 65 CO -0.72 -0.08 0.57 -0.84 0.00 0.00 0.00 176.54 175.47 2dh8 h THR 66 N -0.08 0.41 0.08 4.70 2.02 -1.05 0.31 112.91 119.30 2dh8 h THR 66 Ca 0.05 -0.15 -0.26 0.00 0.77 0.00 0.00 66.41 66.82 2dh8 h THR 66 Cb 0.16 -0.07 0.01 0.00 -1.74 0.00 0.00 68.15 66.51 2dh8 h THR 66 CO -0.12 0.08 -1.12 0.58 0.37 0.00 0.00 175.52 175.30 2dh8 h VAL 67 N 0.44 1.42 0.00 3.16 2.07 -1.08 -3.07 116.25 119.20 2dh8 h VAL 67 Ca 0.69 -2.71 -0.00 0.00 0.82 0.00 0.00 66.70 65.49 2dh8 h VAL 67 Cb 1.45 2.70 -0.00 0.00 -1.52 0.00 0.00 31.29 33.92 2dh8 h VAL 67 CO -0.55 0.80 -0.00 -0.07 0.02 0.00 0.00 177.57 177.77 2dh8 h LEU 68 N 0.17 0.00 0.00 2.57 3.38 0.13 -0.82 115.31 120.73 2dh8 h LEU 68 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2dh8 h LEU 68 Cb 1.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.55 2dh8 h LEU 68 CO 0.19 0.00 -1.13 0.00 0.09 0.00 0.00 178.44 177.59 2dh8 n ALA 69 N -2.09 3.28 0.27 1.53 0.00 -0.34 -4.00 120.51 119.16 2dh8 n ALA 69 Ca -0.02 -0.41 0.12 0.00 0.00 0.00 0.00 53.44 53.14 2dh8 n ALA 69 Cb 0.15 -0.95 0.16 0.00 0.00 0.00 0.00 19.45 18.80 2dh8 n ALA 69 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2dh8 h SER 70 N 0.00 0.00 -2.98 0.00 4.64 -1.06 -3.47 113.55 110.69 2dh8 h SER 70 Ca 0.00 -0.02 -0.57 0.00 -0.47 0.00 0.00 61.79 60.73 2dh8 h SER 70 Cb 0.78 0.00 0.18 0.00 -0.31 0.00 0.00 62.40 63.06 2dh8 h SER 70 CO 0.00 0.01 -0.53 0.54 -0.87 0.00 0.00 176.83 175.98 2dh8 n ARG 71 N -2.82 0.32 -0.61 4.77 1.74 -1.09 -4.65 116.66 114.32 2dh8 n ARG 71 Ca 0.03 0.14 -0.18 0.00 -0.77 0.00 0.00 57.85 57.08 2dh8 n ARG 71 Cb 0.52 -1.68 0.15 0.00 -1.02 0.00 0.00 32.46 30.42 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 -0.19 -2.27 -4.31 5.56 -0.04 -1.26 -5.11 135.00 127.37 2dh8 n PRO 72 Ca 0.10 -1.03 -0.16 0.00 -0.04 0.00 0.00 63.50 62.36 2dh8 n PRO 72 Cb 0.49 -0.96 -0.10 0.00 -0.04 0.00 0.00 33.50 32.88 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 -2.17 1.49 -0.30 0.54 3.76 -0.97 -5.06 115.29 112.59 2dh8 s HIS 73 Ca 0.42 -1.05 -0.03 0.00 -0.15 0.00 0.00 55.06 54.24 2dh8 s HIS 73 Cb -0.04 -0.88 0.19 0.00 1.11 0.00 0.00 32.58 32.96 2dh8 s HIS 73 CO 0.32 -0.20 0.76 0.99 -0.85 0.00 0.00 174.74 175.76 2dh8 s THR 74 N -3.60 -0.75 0.20 1.30 2.01 -1.26 -2.06 115.64 111.48 2dh8 s THR 74 Ca 0.32 0.00 0.09 0.00 0.31 0.00 0.00 61.69 62.40 2dh8 s THR 74 Cb 0.07 -0.90 -0.05 0.00 0.01 0.00 0.00 72.50 71.63 2dh8 s THR 74 CO 0.10 0.00 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.64 2dh8 s LEU 75 N 2.89 2.51 -1.58 4.42 2.96 -0.85 -4.77 118.68 124.26 2dh8 s LEU 75 Ca 0.14 -0.96 -0.11 0.00 -0.22 0.00 0.00 54.13 52.98 2dh8 s LEU 75 Cb -0.11 -0.79 0.09 0.00 0.50 0.00 0.00 46.19 45.88 2dh8 s LEU 75 CO -0.20 -0.09 0.65 0.47 -1.32 0.00 0.00 176.35 175.86 2dh8 n ASP 76 N -0.14 -2.26 -2.74 3.68 8.00 -1.26 0.20 116.55 122.03 2dh8 n ASP 76 Ca -0.10 -1.00 -0.16 0.00 0.71 0.00 0.00 54.79 54.25 2dh8 n ASP 76 Cb 0.59 -2.93 -0.00 0.00 -0.02 0.00 0.00 41.12 38.76 2dh8 n ASP 76 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dh8 n GLY 77 N -1.66 -0.50 2.76 0.44 0.00 -1.26 -4.84 105.19 100.12 2dh8 n GLY 77 Ca -0.08 0.03 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 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 -5.35 -0.03 0.12 1.61 3.00 0.13 -5.10 118.95 113.33 2dh8 s ARG 78 Ca 0.13 0.36 -0.32 0.00 -1.00 0.00 0.00 55.73 54.90 2dh8 s ARG 78 Cb -0.07 -0.36 -0.11 0.00 0.00 0.00 0.00 34.95 34.41 2dh8 s ARG 78 CO 0.16 -0.26 1.79 0.09 0.00 0.00 0.00 175.30 177.08 2dh8 n ASN 79 N 4.87 3.84 -4.31 -2.12 4.13 -1.26 -2.01 115.26 118.41 2dh8 n ASN 79 Ca -0.13 1.01 -0.16 0.00 1.68 0.00 0.00 54.58 56.98 2dh8 n ASN 79 Cb 0.50 -1.52 -0.10 0.00 -1.54 0.00 0.00 39.78 37.12 2dh8 n ASN 79 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2dh8 s ILE 80 N 2.39 0.80 -0.24 2.41 -4.36 -0.87 -4.59 121.20 116.73 2dh8 s ILE 80 Ca 0.82 -2.01 -0.03 0.00 -0.26 0.00 0.00 60.65 59.17 2dh8 s ILE 80 Cb -0.53 -2.39 0.13 0.00 1.25 0.00 0.00 42.46 40.92 2dh8 s ILE 80 CO 0.38 -0.25 0.41 -0.62 0.24 0.00 0.00 174.94 175.10 2dh8 s ASP 81 N -3.28 -0.06 0.86 4.36 2.15 -0.35 -2.29 116.67 118.07 2dh8 s ASP 81 Ca 0.30 0.46 -0.11 0.00 0.43 0.00 0.00 52.55 53.63 2dh8 s ASP 81 Cb 0.07 1.30 0.11 0.00 -0.30 0.00 0.00 42.92 44.09 2dh8 s ASP 81 CO 0.09 -0.28 1.09 -2.16 -0.17 0.00 0.00 175.17 173.74 2dh8 s PRO 82 N 2.60 1.53 -0.04 4.34 0.04 -1.26 -0.86 135.00 141.35 2dh8 s PRO 82 Ca 0.11 0.92 -0.08 0.00 0.04 0.00 0.00 61.00 61.99 2dh8 s PRO 82 Cb -0.15 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.57 2dh8 s PRO 82 CO -0.16 -2.08 0.19 0.15 0.04 0.00 0.00 177.00 175.14 2dh8 s LYS 83 N -4.93 0.35 0.00 4.56 -0.14 0.11 -4.85 119.74 114.84 2dh8 s LYS 83 Ca 0.63 0.02 0.11 0.00 -1.36 0.00 0.00 55.97 55.36 2dh8 s LYS 83 Cb -0.18 0.15 0.64 0.00 -1.68 0.00 0.00 37.83 36.76 2dh8 s LYS 83 CO 0.57 -0.07 1.07 -0.35 -0.76 0.00 0.00 175.35 175.81 2dh8 n PRO 84 N 2.35 0.49 -3.60 -1.68 -0.04 -1.26 0.11 135.00 131.37 2dh8 n PRO 84 Ca -0.17 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.06 2dh8 n PRO 84 Cb 0.57 -1.34 0.08 0.00 -0.04 0.00 0.00 33.50 32.77 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 -3.32 1.10 0.03 0.00 -4.23 -1.26 -4.86 115.64 103.10 2dh8 s THR 86 Ca 0.56 -1.58 -0.21 0.00 -1.18 0.00 0.00 61.69 59.29 2dh8 s THR 86 Cb -0.25 -1.33 -0.15 0.00 1.34 0.00 0.00 72.50 72.11 2dh8 s THR 86 CO 0.73 -0.43 1.33 1.55 -0.54 0.00 0.00 174.62 177.26 2dh8 h PRO 87 N 3.73 0.31 -3.91 3.99 0.13 -2.02 -3.43 132.00 130.81 2dh8 h PRO 87 Ca -0.39 -0.17 -0.52 0.00 -0.87 0.00 0.00 66.00 64.05 2dh8 h PRO 87 Cb 1.19 0.01 -0.38 0.00 0.13 0.00 0.00 31.00 31.94 2dh8 h PRO 87 CO 0.49 0.71 -0.78 0.50 -0.23 0.00 0.00 178.00 178.69 2dh8 s ARG 88 N -4.29 1.06 -0.41 0.86 3.52 -1.26 -5.11 118.95 113.33 2dh8 s ARG 88 Ca -0.14 -0.39 -0.22 0.00 -0.13 0.00 0.00 55.73 54.85 2dh8 s ARG 88 Cb 0.05 -1.87 0.02 0.00 -1.56 0.00 0.00 34.95 31.59 2dh8 s ARG 88 CO 0.74 -0.47 0.72 0.20 -0.81 0.00 0.00 175.30 175.68 2dh8 s GLY 89 N 1.75 1.67 -0.54 8.12 0.00 -1.26 -5.01 107.32 112.04 2dh8 s GLY 89 Ca 0.01 -0.93 -0.14 0.00 0.00 0.00 0.00 44.72 43.65 2dh8 s GLY 89 CO -0.07 1.66 0.48 1.06 0.00 0.00 0.00 173.10 176.23 2dh8 s MET 90 N 3.02 2.90 0.27 2.90 -1.94 -1.26 -5.05 119.30 120.14 2dh8 s MET 90 Ca 0.27 -1.78 -0.27 0.00 -1.71 0.00 0.00 55.69 52.20 2dh8 s MET 90 Cb -0.13 -4.21 -0.15 0.00 2.01 0.00 0.00 34.83 32.34 2dh8 s MET 90 CO 0.19 -1.29 0.69 0.00 -0.01 0.00 0.00 175.02 174.59 2dh8 n GLN 91 N 5.07 0.58 -2.09 2.03 -0.00 -1.26 -4.81 117.38 116.90 2dh8 n GLN 91 Ca -0.10 0.20 -0.43 0.00 -0.00 0.00 0.00 57.00 56.67 2dh8 n GLN 91 Cb 0.41 -1.38 -0.03 0.00 -0.00 0.00 0.00 30.24 29.24 2dh8 n GLN 91 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 2dh8 s PRO 92 N -1.28 3.40 -1.22 2.61 0.04 -1.26 -4.91 135.00 132.37 2dh8 s PRO 92 Ca 0.62 1.30 -0.20 0.00 0.04 0.00 0.00 61.00 62.76 2dh8 s PRO 92 Cb -0.79 -4.15 -0.02 0.00 0.04 0.00 0.00 34.50 29.58 2dh8 s PRO 92 CO 0.58 -1.78 1.87 0.43 0.04 0.00 0.00 177.00 178.13 2dh8 n SER 93 N 9.91 3.89 -3.62 6.66 7.64 -1.26 -4.82 113.62 132.02 2dh8 n SER 93 Ca 0.21 -2.80 -0.07 0.00 1.01 0.00 0.00 58.87 57.22 2dh8 n SER 93 Cb 0.47 -1.70 -0.06 0.00 -1.01 0.00 0.00 64.21 61.91 2dh8 n SER 93 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dh8 s GLY 94 N 5.20 -0.05 0.80 0.23 0.00 -1.26 -5.17 107.32 107.07 2dh8 s GLY 94 Ca 0.60 2.68 -0.11 0.00 0.00 0.00 0.00 44.72 47.90 2dh8 s GLY 94 CO 0.10 1.52 1.09 2.56 0.00 0.00 0.00 173.10 178.37 2dh8 s PRO 95 N -0.38 2.07 -0.14 2.90 0.04 -1.26 -5.00 135.00 133.22 2dh8 s PRO 95 Ca 0.03 1.11 -0.14 0.00 0.04 0.00 0.00 61.00 62.04 2dh8 s PRO 95 Cb -0.03 -1.88 -0.24 0.00 0.04 0.00 0.00 34.50 32.39 2dh8 s PRO 95 CO -0.06 -1.76 0.37 1.03 0.04 0.00 0.00 177.00 176.62 2dh8 h SER 96 N -1.21 0.27 -1.59 6.66 0.87 -2.02 -3.46 113.55 113.07 2dh8 h SER 96 Ca -0.45 -0.78 -0.07 0.00 -1.23 0.00 0.00 61.79 59.26 2dh8 h SER 96 Cb 1.24 -0.09 -0.27 0.00 -0.44 0.00 0.00 62.40 62.84 2dh8 h SER 96 CO 0.52 1.67 -0.41 -0.94 -0.53 0.00 0.00 176.83 177.14 2dh8 s SER 97 N -6.98 -0.32 0.00 6.23 1.04 -1.26 -5.34 113.70 107.07 2dh8 s SER 97 Ca -0.24 0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.64 2dh8 s SER 97 Cb 0.06 1.48 0.00 0.00 0.10 0.00 0.00 66.02 67.66 2dh8 s SER 97 CO 0.71 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 175.25