#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dl9 s SER 2 N 0.00 -0.95 -0.40 1.61 0.15 -1.26 -5.12 113.70 107.73 2dl9 s SER 2 Ca 0.00 1.45 -0.29 0.00 0.70 0.00 0.00 55.95 57.81 2dl9 s SER 2 Cb 0.00 1.89 0.01 0.00 -1.71 0.00 0.00 66.02 66.20 2dl9 s SER 2 CO 0.00 -0.22 1.46 -0.55 1.20 0.00 0.00 173.24 175.12 2dl9 s SER 3 N 2.49 6.29 -0.17 5.45 0.15 -1.26 -4.84 113.70 121.81 2dl9 s SER 3 Ca -0.07 0.90 -0.11 0.00 0.70 0.00 0.00 55.95 57.37 2dl9 s SER 3 Cb -0.10 -2.54 -0.07 0.00 -1.71 0.00 0.00 66.02 61.60 2dl9 s SER 3 CO -0.18 -1.46 -0.26 0.61 1.20 0.00 0.00 173.24 173.16 2dl9 n GLY 4 N 5.10 -0.34 3.52 9.45 0.00 -1.26 -5.11 105.19 116.55 2dl9 n GLY 4 Ca 0.17 -0.14 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 2dl9 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dl9 s SER 5 N -6.54 -0.34 -0.22 1.61 1.04 -1.26 -5.18 113.70 102.80 2dl9 s SER 5 Ca -0.26 0.04 -0.21 0.00 0.48 0.00 0.00 55.95 56.00 2dl9 s SER 5 Cb 0.08 0.35 0.06 0.00 0.10 0.00 0.00 66.02 66.61 2dl9 s SER 5 CO 0.34 -0.55 0.60 -0.44 0.98 0.00 0.00 173.24 174.17 2dl9 s SER 6 N -2.31 -0.62 0.00 7.02 0.01 -1.26 -5.16 113.70 111.38 2dl9 s SER 6 Ca 0.05 1.18 0.00 0.00 1.31 0.00 0.00 55.95 58.49 2dl9 s SER 6 Cb -0.01 1.20 0.00 0.00 0.21 0.00 0.00 66.02 67.42 2dl9 s SER 6 CO -0.07 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 173.96 2dl9 n GLY 7 N 2.68 -0.04 1.27 3.44 0.00 -1.26 -5.14 105.19 106.14 2dl9 n GLY 7 Ca -0.14 -1.70 -0.11 0.00 0.00 0.00 0.00 46.02 44.07 2dl9 n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dl9 n PRO 8 N -0.67 -1.79 -1.43 1.61 -0.04 -1.26 -4.95 135.00 126.48 2dl9 n PRO 8 Ca 0.00 -0.63 -0.34 0.00 -0.04 0.00 0.00 63.50 62.48 2dl9 n PRO 8 Cb 0.00 -0.59 0.07 0.00 -0.04 0.00 0.00 33.50 32.94 2dl9 n PRO 8 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2dl9 n PHE 9 N -3.36 3.18 -3.81 0.54 3.01 -1.26 -4.81 117.46 110.95 2dl9 n PHE 9 Ca 0.05 -2.93 -0.30 0.00 1.01 0.00 0.00 57.45 55.29 2dl9 n PHE 9 Cb 0.21 -1.34 -0.14 0.00 -0.01 0.00 0.00 39.48 38.21 2dl9 n PHE 9 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 2dl9 s ILE 10 N -4.83 1.83 0.30 4.37 1.01 -1.26 -4.47 121.20 118.15 2dl9 s ILE 10 Ca 0.63 -2.74 0.05 0.00 0.00 0.00 0.00 60.65 58.59 2dl9 s ILE 10 Cb 0.50 -2.29 0.29 0.00 0.01 0.00 0.00 42.46 40.97 2dl9 s ILE 10 CO -0.03 -0.83 1.77 0.00 0.00 0.00 0.00 174.94 175.85 2dl9 h MET 11 N 6.78 0.71 -4.29 2.79 -0.00 -1.88 -3.36 114.93 115.69 2dl9 h MET 11 Ca -0.04 -0.04 -0.59 0.00 -0.00 0.00 0.00 59.70 59.02 2dl9 h MET 11 Cb 0.92 -0.16 -0.38 0.00 -0.00 0.00 0.00 31.60 31.99 2dl9 h MET 11 CO 0.56 0.47 -0.79 0.34 -0.00 0.00 0.00 176.91 177.49 2dl9 s ASP 12 N -5.40 3.46 -0.02 -0.10 2.15 -1.25 -5.00 116.67 110.51 2dl9 s ASP 12 Ca -0.11 -0.98 -0.06 0.00 0.43 0.00 0.00 52.55 51.83 2dl9 s ASP 12 Cb 0.25 -1.08 -0.04 0.00 -0.30 0.00 0.00 42.92 41.74 2dl9 s ASP 12 CO 0.80 -0.21 0.23 0.00 -0.17 0.00 0.00 175.17 175.82 2dl9 s ALA 13 N 1.49 3.88 0.71 3.66 0.00 -1.26 -1.70 121.76 128.54 2dl9 s ALA 13 Ca -0.03 -0.62 -0.13 0.00 0.00 0.00 0.00 51.96 51.18 2dl9 s ALA 13 Cb -0.17 -2.01 0.03 0.00 0.00 0.00 0.00 23.12 20.96 2dl9 s ALA 13 CO -0.07 0.66 1.10 -1.25 0.00 0.00 0.00 175.76 176.20 2dl9 s PRO 14 N -1.65 2.55 0.16 0.00 0.04 0.10 -4.79 135.00 131.41 2dl9 s PRO 14 Ca 0.25 1.29 0.03 0.00 0.04 0.00 0.00 61.00 62.61 2dl9 s PRO 14 Cb -0.13 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 2dl9 s PRO 14 CO 0.14 -1.43 -0.04 -0.98 0.04 0.00 0.00 177.00 174.73 2dl9 s ARG 15 N -4.46 1.07 -0.01 4.56 1.70 -1.26 -4.73 118.95 115.81 2dl9 s ARG 15 Ca 0.64 -1.49 -0.38 0.00 -0.47 0.00 0.00 55.73 54.03 2dl9 s ARG 15 Cb -0.19 -0.40 -0.17 0.00 -0.57 0.00 0.00 34.95 33.62 2dl9 s ARG 15 CO 0.48 -0.05 1.40 -0.40 -1.08 0.00 0.00 175.30 175.65 2dl9 n ASP 16 N -0.21 1.60 -4.16 -2.89 5.68 -1.26 -4.69 116.55 110.61 2dl9 n ASP 16 Ca -0.08 1.12 -0.29 0.00 -0.50 0.00 0.00 54.79 55.03 2dl9 n ASP 16 Cb 0.62 -1.14 -0.17 0.00 -1.14 0.00 0.00 41.12 39.29 2dl9 n ASP 16 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2dl9 s LEU 17 N 1.12 1.94 -0.32 -2.12 2.96 -0.08 -4.94 118.68 117.25 2dl9 s LEU 17 Ca 0.89 -0.46 -0.04 0.00 -0.22 0.00 0.00 54.13 54.30 2dl9 s LEU 17 Cb -1.03 -1.19 0.05 0.00 0.50 0.00 0.00 46.19 44.52 2dl9 s LEU 17 CO 0.53 0.13 0.04 0.54 -1.32 0.00 0.00 176.35 176.27 2dl9 s ASN 18 N 0.35 5.06 0.17 3.68 4.22 -1.26 -2.06 114.94 125.10 2dl9 s ASN 18 Ca -0.15 -1.24 0.06 0.00 -2.14 0.00 0.00 52.86 49.40 2dl9 s ASN 18 Cb -0.16 -1.77 -0.04 0.00 1.28 0.00 0.00 41.25 40.55 2dl9 s ASN 18 CO 0.06 -0.29 -0.13 -0.51 -2.04 0.00 0.00 177.10 174.19 2dl9 s ILE 19 N 1.31 1.46 0.51 0.54 2.07 -0.64 -4.96 121.20 121.49 2dl9 s ILE 19 Ca -0.04 -2.06 -0.07 0.00 -1.41 0.00 0.00 60.65 57.07 2dl9 s ILE 19 Cb -0.20 -1.87 -0.04 0.00 0.13 0.00 0.00 42.46 40.48 2dl9 s ILE 19 CO 0.00 -0.61 0.85 -0.44 -1.91 0.00 0.00 174.94 172.83 2dl9 s SER 20 N -3.09 6.27 0.22 4.50 0.01 -1.26 -3.29 113.70 117.05 2dl9 s SER 20 Ca 0.18 1.07 -0.30 0.00 1.31 0.00 0.00 55.95 58.21 2dl9 s SER 20 Cb -0.00 -2.31 -0.09 0.00 0.21 0.00 0.00 66.02 63.82 2dl9 s SER 20 CO 0.04 -0.65 1.40 -0.70 0.41 0.00 0.00 173.24 173.74 2dl9 s GLU 21 N -4.81 4.31 -0.14 12.44 2.12 0.46 -3.30 118.70 129.79 2dl9 s GLU 21 Ca 0.50 2.20 -0.01 0.00 0.36 0.00 0.00 54.97 58.02 2dl9 s GLU 21 Cb -0.10 -3.15 0.00 0.00 0.26 0.00 0.00 34.13 31.13 2dl9 s GLU 21 CO 0.47 -0.37 0.12 0.41 -0.54 0.00 0.00 175.26 175.34 2dl9 n GLY 22 N 2.45 0.71 3.22 -1.50 0.00 0.15 -4.30 105.19 105.92 2dl9 n GLY 22 Ca 0.07 -0.55 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 2dl9 n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dl9 s ARG 23 N -4.93 1.12 -0.15 1.61 0.52 -1.21 -4.89 118.95 111.02 2dl9 s ARG 23 Ca 0.05 -1.56 -0.22 0.00 -0.52 0.00 0.00 55.73 53.48 2dl9 s ARG 23 Cb -0.02 0.00 -0.03 0.00 0.52 0.00 0.00 34.95 35.42 2dl9 s ARG 23 CO 0.07 -0.25 0.68 1.41 0.02 0.00 0.00 175.30 177.23 2dl9 s MET 24 N -4.02 4.30 0.36 3.54 1.75 -1.23 -2.68 119.30 121.32 2dl9 s MET 24 Ca 0.29 0.76 0.05 0.00 -1.25 0.00 0.00 55.69 55.54 2dl9 s MET 24 Cb 0.07 -3.53 -0.07 0.00 2.84 0.00 0.00 34.83 34.14 2dl9 s MET 24 CO 0.06 -0.15 0.04 0.00 -0.65 0.00 0.00 175.02 174.33 2dl9 s ALA 25 N 1.57 2.68 -0.11 4.11 0.00 -0.67 -4.96 121.76 124.37 2dl9 s ALA 25 Ca 0.33 -2.08 -0.29 0.00 0.00 0.00 0.00 51.96 49.92 2dl9 s ALA 25 Cb -0.16 0.49 0.07 0.00 0.00 0.00 0.00 23.12 23.52 2dl9 s ALA 25 CO 0.13 -0.24 0.71 -1.21 0.00 0.00 0.00 175.76 175.14 2dl9 s GLU 26 N -3.83 0.98 -0.32 0.00 2.02 -1.26 -0.69 118.70 115.61 2dl9 s GLU 26 Ca 0.35 0.44 -0.07 0.00 0.02 0.00 0.00 54.97 55.71 2dl9 s GLU 26 Cb 0.09 0.47 0.02 0.00 0.10 0.00 0.00 34.13 34.81 2dl9 s GLU 26 CO 0.16 -0.27 0.09 -0.51 0.02 0.00 0.00 175.26 174.76 2dl9 s LEU 27 N -0.79 4.07 -0.41 1.80 1.43 -0.68 -4.95 118.68 119.15 2dl9 s LEU 27 Ca -0.08 -0.90 -0.27 0.00 -1.03 0.00 0.00 54.13 51.85 2dl9 s LEU 27 Cb -0.01 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 2dl9 s LEU 27 CO 0.07 -0.26 2.14 -0.54 0.23 0.00 0.00 176.35 177.99 2dl9 s LYS 28 N 1.46 2.72 -0.21 1.70 3.01 -1.26 -3.62 119.74 123.54 2dl9 s LYS 28 Ca 0.01 1.44 -0.09 0.00 -1.01 0.00 0.00 55.97 56.31 2dl9 s LYS 28 Cb -0.18 -4.41 0.08 0.00 -1.01 0.00 0.00 37.83 32.30 2dl9 s LYS 28 CO 0.03 -2.58 0.47 0.00 0.51 0.00 0.00 175.35 173.78 2dl9 s ARG 30 N 1.98 2.09 0.13 0.00 0.52 -0.69 -3.78 118.95 119.21 2dl9 s ARG 30 Ca -0.07 -0.79 0.09 0.00 -0.52 0.00 0.00 55.73 54.44 2dl9 s ARG 30 Cb -0.09 -1.86 -0.04 0.00 0.52 0.00 0.00 34.95 33.48 2dl9 s ARG 30 CO -0.14 0.38 -0.21 0.95 0.02 0.00 0.00 175.30 176.29 2dl9 s THR 31 N -0.23 1.85 1.02 0.02 -4.23 -1.24 -3.76 115.64 109.08 2dl9 s THR 31 Ca 0.00 -1.73 -0.13 0.00 -1.18 0.00 0.00 61.69 58.66 2dl9 s THR 31 Cb -0.11 -1.74 0.20 0.00 1.34 0.00 0.00 72.50 72.18 2dl9 s THR 31 CO 0.02 -0.13 1.09 -2.16 -0.54 0.00 0.00 174.62 172.90 2dl9 s PRO 32 N -2.28 0.28 0.60 3.99 0.04 -1.26 -4.98 135.00 131.39 2dl9 s PRO 32 Ca 0.11 0.47 -0.17 0.00 0.04 0.00 0.00 61.00 61.45 2dl9 s PRO 32 Cb -0.08 -1.72 -0.03 0.00 0.04 0.00 0.00 34.50 32.70 2dl9 s PRO 32 CO 0.06 -2.82 1.12 -1.25 0.04 0.00 0.00 177.00 174.14 2dl9 s PRO 33 N -4.97 3.09 -1.25 0.56 0.04 -1.26 -3.61 135.00 127.60 2dl9 s PRO 33 Ca 0.66 1.50 -0.07 0.00 0.04 0.00 0.00 61.00 63.13 2dl9 s PRO 33 Cb -0.19 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.38 2dl9 s PRO 33 CO 0.58 -1.04 0.91 -1.33 0.04 0.00 0.00 177.00 176.16 2dl9 n MET 34 N -1.85 -6.34 -4.34 4.56 2.81 -1.26 -5.01 117.12 105.70 2dl9 n MET 34 Ca 0.11 0.75 -0.18 0.00 -1.81 0.00 0.00 57.70 56.57 2dl9 n MET 34 Cb 0.51 -5.48 -0.14 0.00 -0.71 0.00 0.00 33.22 27.41 2dl9 n MET 34 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2dl9 s SER 35 N -3.14 1.18 -0.01 7.83 1.04 -1.24 -4.62 113.70 114.75 2dl9 s SER 35 Ca 0.45 -0.27 -0.27 0.00 0.48 0.00 0.00 55.95 56.34 2dl9 s SER 35 Cb -0.20 -0.10 -0.04 0.00 0.10 0.00 0.00 66.02 65.78 2dl9 s SER 35 CO 0.56 0.06 0.83 -0.55 0.98 0.00 0.00 173.24 175.12 2dl9 s SER 36 N -0.57 7.20 -0.20 7.02 0.15 -0.89 -4.94 113.70 121.47 2dl9 s SER 36 Ca 0.02 1.45 -0.05 0.00 0.70 0.00 0.00 55.95 58.07 2dl9 s SER 36 Cb -0.05 -2.49 -0.02 0.00 -1.71 0.00 0.00 66.02 61.74 2dl9 s SER 36 CO 0.00 -0.14 -0.01 -0.69 1.20 0.00 0.00 173.24 173.59 2dl9 s VAL 37 N 0.68 3.84 0.10 4.45 1.01 -1.26 -3.07 120.40 126.14 2dl9 s VAL 37 Ca 0.44 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 62.04 2dl9 s VAL 37 Cb -0.20 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 2dl9 s VAL 37 CO 0.23 0.43 0.06 -0.54 0.00 0.00 0.00 175.10 175.29 2dl9 s LYS 38 N 1.01 0.82 -0.01 2.72 1.02 -1.18 -4.07 119.74 120.04 2dl9 s LYS 38 Ca 0.01 -1.28 0.00 0.00 0.02 0.00 0.00 55.97 54.72 2dl9 s LYS 38 Cb -0.14 0.25 0.02 0.00 -0.52 0.00 0.00 37.83 37.44 2dl9 s LYS 38 CO 0.01 -0.22 0.02 -1.58 -0.92 0.00 0.00 175.35 172.66 2dl9 s TRP 39 N -3.97 0.07 0.06 3.18 0.52 -0.60 -1.18 118.94 117.02 2dl9 s TRP 39 Ca 0.15 0.07 0.01 0.00 0.02 0.00 0.00 56.10 56.35 2dl9 s TRP 39 Cb 0.07 -0.19 -0.04 0.00 -1.15 0.00 0.00 33.47 32.16 2dl9 s TRP 39 CO -0.04 -0.07 0.14 -1.17 0.02 0.00 0.00 176.95 175.84 2dl9 s LEU 40 N 0.72 4.08 0.13 2.99 0.20 0.64 -0.40 118.68 127.04 2dl9 s LEU 40 Ca -0.06 0.14 0.05 0.00 0.69 0.00 0.00 54.13 54.94 2dl9 s LEU 40 Cb -0.09 -2.70 -0.04 0.00 -0.43 0.00 0.00 46.19 42.93 2dl9 s LEU 40 CO -0.02 0.18 0.10 -0.76 -0.29 0.00 0.00 176.35 175.56 2dl9 s LEU 41 N -2.40 3.74 0.00 -0.68 2.01 0.11 -2.88 118.68 118.58 2dl9 s LEU 41 Ca 0.32 -0.12 0.09 0.00 0.01 0.00 0.00 54.13 54.43 2dl9 s LEU 41 Cb -0.13 -2.38 0.53 0.00 0.01 0.00 0.00 46.19 44.22 2dl9 s LEU 41 CO 0.24 0.11 0.98 -0.81 1.01 0.00 0.00 176.35 177.88 2dl9 n PRO 42 N -0.01 0.49 -0.10 1.29 -0.04 -1.19 -2.68 135.00 132.77 2dl9 n PRO 42 Ca -0.09 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.17 2dl9 n PRO 42 Cb 0.54 -1.29 -0.12 0.00 -0.04 0.00 0.00 33.50 32.59 2dl9 n PRO 42 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2dl9 n ASN 43 N -0.79 2.01 0.00 3.54 5.15 -1.26 -4.97 115.26 118.94 2dl9 n ASN 43 Ca 0.07 0.02 0.00 0.00 -0.60 0.00 0.00 54.58 54.07 2dl9 n ASN 43 Cb 0.03 -0.59 0.00 0.00 -0.53 0.00 0.00 39.78 38.69 2dl9 n ASN 43 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2dl9 n GLY 44 N 2.04 0.18 3.37 8.20 0.00 -1.09 -5.17 105.19 112.72 2dl9 n GLY 44 Ca -0.43 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 2dl9 n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dl9 s THR 45 N -0.34 0.01 -0.11 2.61 2.01 -1.26 -5.00 115.64 113.57 2dl9 s THR 45 Ca 0.00 -1.70 -0.05 0.00 0.31 0.00 0.00 61.69 60.25 2dl9 s THR 45 Cb 0.00 -2.31 0.05 0.00 0.01 0.00 0.00 72.50 70.26 2dl9 s THR 45 CO 0.00 -0.04 0.24 -0.69 -0.69 0.00 0.00 174.62 173.44 2dl9 s VAL 46 N -4.08 -0.20 0.12 3.82 1.01 -1.26 0.09 120.40 119.90 2dl9 s VAL 46 Ca 0.30 0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.52 2dl9 s VAL 46 Cb 0.04 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 2dl9 s VAL 46 CO 0.09 0.09 0.25 -0.76 0.00 0.00 0.00 175.10 174.78 2dl9 s LEU 47 N 1.79 4.30 0.08 3.92 1.43 0.46 -4.91 118.68 125.75 2dl9 s LEU 47 Ca -0.04 0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 53.22 2dl9 s LEU 47 Cb -0.11 -2.89 -0.04 0.00 0.03 0.00 0.00 46.19 43.18 2dl9 s LEU 47 CO -0.08 0.09 0.01 -0.94 0.23 0.00 0.00 176.35 175.66 2dl9 s SER 48 N -3.02 0.41 0.24 2.29 1.04 -1.26 -1.56 113.70 111.84 2dl9 s SER 48 Ca 0.34 -1.03 0.08 0.00 0.48 0.00 0.00 55.95 55.82 2dl9 s SER 48 Cb -0.12 0.24 0.73 0.00 0.10 0.00 0.00 66.02 66.97 2dl9 s SER 48 CO 0.28 -0.65 1.11 1.57 0.98 0.00 0.00 173.24 176.53 2dl9 n HIS 49 N 0.04 0.62 0.00 5.02 -0.00 -1.26 0.18 115.22 119.83 2dl9 n HIS 49 Ca -0.12 0.84 -0.10 0.00 0.46 0.00 0.00 57.72 58.81 2dl9 n HIS 49 Cb 0.62 -1.14 -0.04 0.00 -0.12 0.00 0.00 29.99 29.31 2dl9 n HIS 49 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2dl9 h ALA 50 N 1.41 0.01 -1.56 1.57 0.00 -1.95 -3.44 119.26 115.31 2dl9 h ALA 50 Ca 0.51 0.04 -0.46 0.00 0.00 0.00 0.00 54.91 55.00 2dl9 h ALA 50 Cb 1.21 0.16 0.14 0.00 0.00 0.00 0.00 17.79 19.30 2dl9 h ALA 50 CO -0.61 -0.53 -0.92 -1.13 0.00 0.00 0.00 179.25 176.05 2dl9 n SER 51 N -5.21 -2.94 -0.64 0.00 3.41 0.47 -4.88 113.62 103.83 2dl9 n SER 51 Ca -0.04 0.49 0.08 0.00 -0.26 0.00 0.00 58.87 59.14 2dl9 n SER 51 Cb 0.13 -0.66 0.21 0.00 -0.26 0.00 0.00 64.21 63.64 2dl9 n SER 51 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2dl9 n ARG 52 N 1.21 2.23 -1.68 4.33 0.63 -1.26 -4.91 116.66 117.20 2dl9 n ARG 52 Ca 0.06 -2.81 -0.45 0.00 -0.92 0.00 0.00 57.85 53.73 2dl9 n ARG 52 Cb 0.37 -1.72 -0.04 0.00 0.45 0.00 0.00 32.46 31.52 2dl9 n ARG 52 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 2dl9 n HIS 53 N -0.90 2.33 0.02 -0.14 -0.00 -1.26 -4.92 115.22 110.34 2dl9 n HIS 53 Ca 0.21 0.28 -0.13 0.00 0.46 0.00 0.00 57.72 58.54 2dl9 n HIS 53 Cb 0.82 -2.54 -0.09 0.00 -0.12 0.00 0.00 29.99 28.06 2dl9 n HIS 53 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2dl9 h PRO 54 N 5.56 -0.08 0.11 1.57 0.13 -1.99 -3.39 132.00 133.90 2dl9 h PRO 54 Ca -0.45 0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 2dl9 h PRO 54 Cb 1.25 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2dl9 h PRO 54 CO 0.86 0.37 -0.05 0.00 -0.23 0.00 0.00 178.00 178.95 2dl9 h ARG 55 N -0.58 -0.14 -5.90 0.86 3.08 -1.91 -3.41 114.38 106.38 2dl9 h ARG 55 Ca -0.01 0.01 -0.42 0.00 0.07 0.00 0.00 59.98 59.63 2dl9 h ARG 55 Cb 0.49 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.53 2dl9 h ARG 55 CO 0.01 -0.10 1.09 0.42 -1.07 0.00 0.00 179.97 180.33 2dl9 s ILE 56 N -2.11 3.44 -0.15 2.04 1.01 -1.24 -2.78 121.20 121.41 2dl9 s ILE 56 Ca -0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.53 2dl9 s ILE 56 Cb 0.00 -4.08 -0.02 0.00 0.01 0.00 0.00 42.46 38.37 2dl9 s ILE 56 CO 0.07 -1.04 -0.08 -0.44 0.00 0.00 0.00 174.94 173.45 2dl9 s SER 57 N 7.66 4.36 -0.75 3.58 0.01 -0.22 -4.42 113.70 123.92 2dl9 s SER 57 Ca 0.65 -0.26 -0.17 0.00 1.31 0.00 0.00 55.95 57.49 2dl9 s SER 57 Cb -0.09 -1.70 0.16 0.00 0.21 0.00 0.00 66.02 64.60 2dl9 s SER 57 CO 0.10 0.14 0.80 -0.69 0.41 0.00 0.00 173.24 174.00 2dl9 s VAL 58 N 0.51 5.14 0.82 3.43 1.01 -1.26 -0.57 120.40 129.48 2dl9 s VAL 58 Ca -0.06 -1.73 -0.14 0.00 0.00 0.00 0.00 61.98 60.05 2dl9 s VAL 58 Cb -0.15 -4.53 0.05 0.00 0.00 0.00 0.00 36.38 31.75 2dl9 s VAL 58 CO 0.03 -1.15 0.94 0.18 0.00 0.00 0.00 175.10 175.11 2dl9 n LEU 59 N 5.38 2.94 0.02 3.92 4.77 0.26 -4.75 117.00 129.55 2dl9 n LEU 59 Ca 0.06 0.54 -0.11 0.00 -0.03 0.00 0.00 56.01 56.47 2dl9 n LEU 59 Cb 0.45 -1.40 -0.07 0.00 -2.33 0.00 0.00 43.42 40.07 2dl9 n LEU 59 CO 0.47 -2.30 0.51 0.78 -1.33 0.00 0.00 177.39 175.51 2dl9 h ASN 60 N -0.94 -1.22 -1.00 -1.43 2.35 -1.96 -1.05 115.58 110.32 2dl9 h ASN 60 Ca -0.46 0.14 0.35 0.00 -0.55 0.00 0.00 56.30 55.78 2dl9 h ASN 60 Cb 1.31 0.47 -0.18 0.00 0.05 0.00 0.00 38.32 39.96 2dl9 h ASN 60 CO 0.43 -0.37 0.31 0.44 -1.65 0.00 0.00 177.43 176.59 2dl9 h ASP 61 N -0.47 -0.05 0.00 5.81 3.32 -1.94 -3.44 116.42 119.66 2dl9 h ASP 61 Ca 0.01 0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.33 2dl9 h ASP 61 Cb 0.52 0.37 0.00 0.00 0.22 0.00 0.00 39.33 40.43 2dl9 h ASP 61 CO -0.28 -0.40 0.00 0.61 -1.72 0.00 0.00 179.24 177.45 2dl9 n GLY 62 N -1.37 0.87 3.58 2.75 0.00 -0.40 -3.59 105.19 107.04 2dl9 n GLY 62 Ca 0.31 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.01 2dl9 n GLY 62 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dl9 s THR 63 N -1.48 3.53 -0.50 2.61 2.01 -1.24 -4.31 115.64 116.28 2dl9 s THR 63 Ca 0.00 -0.86 -0.16 0.00 0.31 0.00 0.00 61.69 60.98 2dl9 s THR 63 Cb 0.00 -2.54 0.09 0.00 0.01 0.00 0.00 72.50 70.06 2dl9 s THR 63 CO 0.00 0.37 0.45 -0.22 -0.69 0.00 0.00 174.62 174.53 2dl9 s LEU 64 N -1.48 5.74 0.04 4.42 2.96 -1.24 -0.57 118.68 128.55 2dl9 s LEU 64 Ca 0.17 -1.44 -0.17 0.00 -0.22 0.00 0.00 54.13 52.46 2dl9 s LEU 64 Cb -0.11 -2.21 -0.06 0.00 0.50 0.00 0.00 46.19 44.30 2dl9 s LEU 64 CO 0.08 -0.74 0.50 0.21 -1.32 0.00 0.00 176.35 175.07 2dl9 s ASN 65 N 2.95 6.96 -0.32 3.68 3.84 0.27 -1.69 114.94 130.61 2dl9 s ASN 65 Ca 0.05 1.13 0.04 0.00 0.21 0.00 0.00 52.86 54.29 2dl9 s ASN 65 Cb -0.26 -2.31 0.09 0.00 -0.55 0.00 0.00 41.25 38.22 2dl9 s ASN 65 CO 0.06 0.29 0.02 -0.36 -2.79 0.00 0.00 177.10 174.32 2dl9 s PHE 66 N -1.08 3.60 0.20 0.43 0.40 0.13 -1.06 117.98 120.61 2dl9 s PHE 66 Ca 0.27 -2.83 -0.20 0.00 -0.60 0.00 0.00 56.93 53.56 2dl9 s PHE 66 Cb -0.18 -2.70 0.15 0.00 0.51 0.00 0.00 43.02 40.80 2dl9 s PHE 66 CO 0.17 -0.93 1.57 1.03 0.70 0.00 0.00 175.22 177.76 2dl9 h SER 67 N 7.66 -1.27 -1.62 1.36 0.87 -1.76 -1.79 113.55 117.00 2dl9 h SER 67 Ca -0.07 0.25 -0.12 0.00 -1.23 0.00 0.00 61.79 60.62 2dl9 h SER 67 Cb 1.02 0.64 -0.27 0.00 -0.44 0.00 0.00 62.40 63.35 2dl9 h SER 67 CO 0.51 -0.30 -0.47 -1.38 -0.53 0.00 0.00 176.83 174.66 2dl9 s HIS 68 N -5.97 -1.10 0.62 2.24 -3.43 -1.23 -3.51 115.29 102.91 2dl9 s HIS 68 Ca -0.14 0.76 -0.17 0.00 -0.80 0.00 0.00 55.06 54.71 2dl9 s HIS 68 Cb 0.17 0.05 -0.02 0.00 -1.43 0.00 0.00 32.58 31.35 2dl9 s HIS 68 CO 0.70 -0.88 1.15 0.14 -2.00 0.00 0.00 174.74 173.85 2dl9 s VAL 69 N 2.61 2.94 0.21 -5.38 -7.23 -1.09 -4.69 120.40 107.76 2dl9 s VAL 69 Ca 0.12 0.52 0.09 0.00 -1.81 0.00 0.00 61.98 60.89 2dl9 s VAL 69 Cb -0.14 -3.11 -0.05 0.00 0.56 0.00 0.00 36.38 33.65 2dl9 s VAL 69 CO -0.23 -0.19 -0.16 -0.76 -0.31 0.00 0.00 175.10 173.44 2dl9 s LEU 70 N -4.42 2.53 0.62 1.32 1.43 -1.26 -0.67 118.68 118.23 2dl9 s LEU 70 Ca 0.72 -0.98 0.31 0.00 -1.03 0.00 0.00 54.13 53.14 2dl9 s LEU 70 Cb -0.25 -0.78 1.70 0.00 0.03 0.00 0.00 46.19 46.89 2dl9 s LEU 70 CO 0.36 -0.10 2.04 -0.07 0.23 0.00 0.00 176.35 178.80 2dl9 h LEU 71 N 2.67 0.00 0.00 1.79 3.38 -1.96 0.53 115.31 121.72 2dl9 h LEU 71 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2dl9 h LEU 71 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2dl9 h LEU 71 CO 0.59 0.00 -0.44 0.28 0.09 0.00 0.00 178.44 178.96 2dl9 h SER 72 N 0.00 0.00 1.77 -0.43 0.02 -1.95 -3.25 113.55 109.72 2dl9 h SER 72 Ca 0.08 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2dl9 h SER 72 Cb 0.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.17 2dl9 h SER 72 CO -0.00 0.04 0.00 0.44 -1.14 0.00 0.00 176.83 176.17 2dl9 h ASP 73 N 0.00 0.00 -2.06 3.07 3.32 -0.31 -3.46 116.42 116.98 2dl9 h ASP 73 Ca 0.00 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.43 2dl9 h ASP 73 Cb 0.84 0.00 0.05 0.00 0.22 0.00 0.00 39.33 40.44 2dl9 h ASP 73 CO 0.00 0.00 0.71 0.41 -1.72 0.00 0.00 179.24 178.64 2dl9 n THR 74 N -3.01 0.04 0.00 0.35 -1.04 -1.17 -4.75 114.28 104.70 2dl9 n THR 74 Ca 0.04 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 2dl9 n THR 74 Cb 0.48 -1.33 0.00 0.00 -1.82 0.00 0.00 70.33 67.66 2dl9 n THR 74 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dl9 n GLY 75 N 3.22 -0.64 2.91 3.41 0.00 -1.02 -5.01 105.19 108.05 2dl9 n GLY 75 Ca 0.18 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 2dl9 n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dl9 s VAL 76 N -2.88 0.57 -0.08 1.61 1.01 -1.26 -1.16 120.40 118.20 2dl9 s VAL 76 Ca 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.84 2dl9 s VAL 76 Cb 0.00 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 2dl9 s VAL 76 CO 0.00 0.23 -0.09 -0.31 0.00 0.00 0.00 175.10 174.93 2dl9 s TYR 77 N 0.83 2.89 -0.12 5.22 1.51 0.21 -3.15 117.35 124.74 2dl9 s TYR 77 Ca -0.11 -0.12 0.02 0.00 -1.01 0.00 0.00 57.07 55.84 2dl9 s TYR 77 Cb -0.14 -1.74 0.01 0.00 -0.11 0.00 0.00 41.96 39.98 2dl9 s TYR 77 CO 0.01 0.20 -0.18 0.99 -1.11 0.00 0.00 175.55 175.45 2dl9 s THR 78 N -0.53 1.72 -0.14 -0.71 2.01 -1.14 -1.56 115.64 115.29 2dl9 s THR 78 Ca 0.08 -0.78 -0.14 0.00 0.31 0.00 0.00 61.69 61.16 2dl9 s THR 78 Cb -0.12 -1.54 -0.05 0.00 0.01 0.00 0.00 72.50 70.80 2dl9 s THR 78 CO 0.02 0.48 0.31 0.00 -0.69 0.00 0.00 174.62 174.74 2dl9 s MET 80 N 0.30 3.57 -0.13 0.00 -1.94 -0.33 -2.10 119.30 118.68 2dl9 s MET 80 Ca 0.18 -0.12 -0.03 0.00 -1.71 0.00 0.00 55.69 54.01 2dl9 s MET 80 Cb -0.13 -3.03 0.04 0.00 2.01 0.00 0.00 34.83 33.72 2dl9 s MET 80 CO 0.05 0.61 0.03 0.08 -0.01 0.00 0.00 175.02 175.78 2dl9 s VAL 81 N -1.39 0.32 -0.18 -6.03 1.01 0.15 -3.11 120.40 111.16 2dl9 s VAL 81 Ca 0.31 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 2dl9 s VAL 81 Cb -0.13 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.55 2dl9 s VAL 81 CO 0.19 -0.01 -0.09 -0.89 0.00 0.00 0.00 175.10 174.31 2dl9 s THR 82 N 1.97 3.18 0.03 3.92 2.01 -1.18 -1.33 115.64 124.25 2dl9 s THR 82 Ca 0.02 -0.58 -0.01 0.00 0.31 0.00 0.00 61.69 61.43 2dl9 s THR 82 Cb -0.15 -2.40 -0.02 0.00 0.01 0.00 0.00 72.50 69.94 2dl9 s THR 82 CO -0.07 0.47 -0.00 0.21 -0.69 0.00 0.00 174.62 174.54 2dl9 s ASN 83 N 1.01 0.29 0.67 3.53 3.84 -0.03 -2.10 114.94 122.14 2dl9 s ASN 83 Ca -0.01 -0.62 0.39 0.00 0.21 0.00 0.00 52.86 52.83 2dl9 s ASN 83 Cb -0.15 0.15 2.12 0.00 -0.55 0.00 0.00 41.25 42.82 2dl9 s ASN 83 CO -0.01 -0.42 2.20 1.62 -2.79 0.00 0.00 177.10 177.71 2dl9 h VAL 84 N 4.08 0.02 0.12 -5.21 3.04 -1.96 -1.61 116.25 114.73 2dl9 h VAL 84 Ca -0.33 0.00 -0.26 0.00 -1.01 0.00 0.00 66.70 65.11 2dl9 h VAL 84 Cb 1.19 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 31.34 2dl9 h VAL 84 CO 0.49 0.00 -1.28 0.00 -1.01 0.00 0.00 177.57 175.77 2dl9 h ALA 85 N 1.74 0.12 -2.34 3.17 0.00 -1.97 -3.50 119.26 116.49 2dl9 h ALA 85 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 53.90 2dl9 h ALA 85 Cb 0.26 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2dl9 h ALA 85 CO -0.00 0.73 0.00 0.41 0.00 0.00 0.00 179.25 180.39 2dl9 n GLY 86 N 1.72 1.23 2.92 0.00 0.00 -0.60 -5.17 105.19 105.29 2dl9 n GLY 86 Ca -0.23 -0.73 -0.15 0.00 0.00 0.00 0.00 46.02 44.91 2dl9 n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dl9 s ASN 87 N 0.81 0.44 0.11 1.61 2.20 -1.26 -0.85 114.94 118.01 2dl9 s ASN 87 Ca 0.00 -0.06 -0.09 0.00 -0.94 0.00 0.00 52.86 51.77 2dl9 s ASN 87 Cb 0.00 -0.07 -0.00 0.00 -2.00 0.00 0.00 41.25 39.18 2dl9 s ASN 87 CO 0.00 0.03 0.21 -0.94 -2.94 0.00 0.00 177.10 173.47 2dl9 s SER 88 N 0.01 0.10 -0.13 3.54 1.04 -0.44 -4.83 113.70 113.00 2dl9 s SER 88 Ca 0.00 -0.73 -0.26 0.00 0.48 0.00 0.00 55.95 55.45 2dl9 s SER 88 Cb -0.03 0.37 0.06 0.00 0.10 0.00 0.00 66.02 66.52 2dl9 s SER 88 CO -0.00 -0.78 0.62 0.54 0.98 0.00 0.00 173.24 174.61 2dl9 s ASN 89 N -2.90 -0.61 0.35 7.02 4.22 -1.26 0.31 114.94 122.07 2dl9 s ASN 89 Ca 0.09 0.89 0.09 0.00 -2.14 0.00 0.00 52.86 51.80 2dl9 s ASN 89 Cb 0.04 0.84 -0.07 0.00 1.28 0.00 0.00 41.25 43.35 2dl9 s ASN 89 CO -0.08 -0.43 -0.09 0.00 -2.04 0.00 0.00 177.10 174.47 2dl9 s ALA 90 N -0.56 2.96 0.26 3.54 0.00 -0.89 -4.94 121.76 122.13 2dl9 s ALA 90 Ca -0.07 -2.10 0.07 0.00 0.00 0.00 0.00 51.96 49.87 2dl9 s ALA 90 Cb -0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 23.12 23.01 2dl9 s ALA 90 CO 0.05 0.07 -0.09 -1.12 0.00 0.00 0.00 175.76 174.68 2dl9 s SER 91 N -3.61 2.77 -0.29 0.00 0.01 -1.26 -1.34 113.70 109.98 2dl9 s SER 91 Ca 0.33 -1.14 -0.20 0.00 1.31 0.00 0.00 55.95 56.24 2dl9 s SER 91 Cb 0.03 -0.17 0.15 0.00 0.21 0.00 0.00 66.02 66.24 2dl9 s SER 91 CO 0.16 -0.28 1.09 0.00 0.41 0.00 0.00 173.24 174.62 2dl9 s ALA 92 N -2.97 -2.23 0.13 1.44 0.00 -0.60 -4.55 121.76 112.97 2dl9 s ALA 92 Ca 0.28 2.01 -0.14 0.00 0.00 0.00 0.00 51.96 54.11 2dl9 s ALA 92 Cb 0.02 -1.68 -0.07 0.00 0.00 0.00 0.00 23.12 21.40 2dl9 s ALA 92 CO 0.11 -0.28 0.52 -0.47 0.00 0.00 0.00 175.76 175.64 2dl9 s TYR 93 N 0.80 3.62 -0.18 0.00 6.14 -1.26 -0.62 117.35 125.85 2dl9 s TYR 93 Ca -0.03 1.02 0.01 0.00 0.64 0.00 0.00 57.07 58.71 2dl9 s TYR 93 Cb -0.04 -2.34 0.04 0.00 0.42 0.00 0.00 41.96 40.04 2dl9 s TYR 93 CO -0.12 0.46 -0.11 -1.17 0.64 0.00 0.00 175.55 175.25 2dl9 s LEU 94 N -1.88 2.09 -0.16 6.97 2.96 -0.31 -0.90 118.68 127.45 2dl9 s LEU 94 Ca 0.36 -0.78 -0.14 0.00 -0.22 0.00 0.00 54.13 53.35 2dl9 s LEU 94 Cb -0.15 -1.19 -0.05 0.00 0.50 0.00 0.00 46.19 45.30 2dl9 s LEU 94 CO 0.19 -0.13 0.32 0.21 -1.32 0.00 0.00 176.35 175.61 2dl9 s ASN 95 N 1.44 6.45 -0.22 3.68 2.47 -0.88 -2.45 114.94 125.44 2dl9 s ASN 95 Ca 0.00 0.53 0.01 0.00 0.42 0.00 0.00 52.86 53.83 2dl9 s ASN 95 Cb -0.15 -2.19 0.05 0.00 -1.45 0.00 0.00 41.25 37.50 2dl9 s ASN 95 CO -0.09 0.07 -0.11 -0.69 -3.72 0.00 0.00 177.10 172.57 2dl9 s VAL 96 N 0.56 1.83 -0.16 -5.21 1.01 -1.25 -1.62 120.40 115.57 2dl9 s VAL 96 Ca 0.17 -1.21 -0.05 0.00 0.00 0.00 0.00 61.98 60.90 2dl9 s VAL 96 Cb -0.13 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 2dl9 s VAL 96 CO 0.05 0.12 -0.00 -0.44 0.00 0.00 0.00 175.10 174.83 2dl9 s SER 97 N 1.30 5.11 0.12 3.32 0.01 -1.21 -4.70 113.70 117.65 2dl9 s SER 97 Ca -0.03 -0.05 -0.35 0.00 1.31 0.00 0.00 55.95 56.83 2dl9 s SER 97 Cb -0.17 -1.84 -0.15 0.00 0.21 0.00 0.00 66.02 64.06 2dl9 s SER 97 CO -0.08 0.18 1.43 -0.24 0.41 0.00 0.00 173.24 174.94 2dl9 n SER 98 N 3.50 2.24 -4.44 2.44 2.88 -1.26 -0.40 113.62 118.58 2dl9 n SER 98 Ca -0.17 1.11 -0.36 0.00 -1.33 0.00 0.00 58.87 58.12 2dl9 n SER 98 Cb 0.52 -1.29 0.08 0.00 -0.75 0.00 0.00 64.21 62.77 2dl9 n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dl9 n GLY 99 N 2.85 -1.71 1.80 0.46 0.00 -1.26 -4.81 105.19 102.52 2dl9 n GLY 99 Ca 0.18 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.58 2dl9 n GLY 99 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dl9 n PRO 100 N -0.83 -2.11 0.02 1.61 -0.04 -1.26 -5.05 135.00 127.34 2dl9 n PRO 100 Ca 0.09 -0.90 0.00 0.00 -0.04 0.00 0.00 63.50 62.65 2dl9 n PRO 100 Cb 0.51 -0.84 0.00 0.00 -0.04 0.00 0.00 33.50 33.13 2dl9 n PRO 100 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dl9 n SER 101 N -3.96 0.05 -0.23 3.54 2.88 -1.26 -4.87 113.62 109.78 2dl9 n SER 101 Ca 0.08 0.08 -0.02 0.00 -1.33 0.00 0.00 58.87 57.68 2dl9 n SER 101 Cb 0.30 0.03 0.05 0.00 -0.75 0.00 0.00 64.21 63.84 2dl9 n SER 101 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2dl9 h SER 102 N 0.00 -0.88 0.00 -3.46 4.64 -2.05 -3.58 113.55 108.22 2dl9 h SER 102 Ca 0.00 0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2dl9 h SER 102 Cb 0.28 0.50 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 2dl9 h SER 102 CO 0.00 -0.26 0.00 0.61 -0.87 0.00 0.00 176.83 176.31