#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2opk s PRO 3 N 0.00 4.03 -0.01 -0.24 0.04 -1.26 -5.06 135.00 132.50 2opk s PRO 3 Ca 0.00 1.66 0.04 0.00 0.04 0.00 0.00 61.00 62.74 2opk s PRO 3 Cb 0.00 -2.54 -0.01 0.00 0.04 0.00 0.00 34.50 31.99 2opk s PRO 3 CO 0.00 -0.29 -0.14 0.21 0.04 0.00 0.00 177.00 176.82 2opk s LYS 4 N -2.50 1.17 0.23 4.56 2.47 -1.26 -5.15 119.74 119.26 2opk s LYS 4 Ca 0.59 -0.50 0.07 0.00 -1.56 0.00 0.00 55.97 54.58 2opk s LYS 4 Cb -0.26 -1.12 -0.05 0.00 -1.46 0.00 0.00 37.83 34.94 2opk s LYS 4 CO 0.32 0.29 -0.11 -3.38 0.16 0.00 0.00 175.35 172.62 2opk s HIS 5 N -0.27 1.80 0.12 4.03 -3.43 -1.26 -5.15 115.29 111.12 2opk s HIS 5 Ca 0.04 -0.62 -0.10 0.00 -0.80 0.00 0.00 55.06 53.59 2opk s HIS 5 Cb -0.06 -0.90 0.03 0.00 -1.43 0.00 0.00 32.58 30.22 2opk s HIS 5 CO -0.00 0.33 0.47 0.41 -2.00 0.00 0.00 174.74 173.95 2opk n GLY 6 N -0.45 1.12 2.74 -1.38 0.00 -1.26 -5.16 105.19 100.80 2opk n GLY 6 Ca -0.07 -1.06 -0.18 0.00 0.00 0.00 0.00 46.02 44.71 2opk n GLY 6 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2opk s ASN 7 N -2.14 0.73 0.50 1.61 3.84 -1.26 -5.04 114.94 113.18 2opk s ASN 7 Ca 0.10 0.13 0.33 0.00 0.21 0.00 0.00 52.86 53.64 2opk s ASN 7 Cb -0.02 -0.02 1.62 0.00 -0.55 0.00 0.00 41.25 42.28 2opk s ASN 7 CO 0.04 -0.21 2.01 -0.07 -2.79 0.00 0.00 177.10 176.07 2opk h LEU 8 N 8.07 0.00 -1.42 3.21 3.38 -2.02 -2.12 115.31 124.41 2opk h LEU 8 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2opk h LEU 8 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2opk h LEU 8 CO 0.25 0.00 -0.08 0.49 0.09 0.00 0.00 178.44 179.19 2opk n PHE 9 N -2.79 0.00 -2.87 1.13 3.72 -1.26 -4.89 117.46 110.50 2opk n PHE 9 Ca -0.01 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.02 2opk n PHE 9 Cb 0.17 -0.01 -0.06 0.00 -0.94 0.00 0.00 39.48 38.64 2opk n PHE 9 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2opk s ALA 10 N -2.10 3.30 -1.35 4.37 0.00 -0.80 -4.28 121.76 120.91 2opk s ALA 10 Ca 0.29 0.44 -0.01 0.00 0.00 0.00 0.00 51.96 52.69 2opk s ALA 10 Cb 0.20 -3.08 0.01 0.00 0.00 0.00 0.00 23.12 20.25 2opk s ALA 10 CO 0.36 0.23 0.67 -0.25 0.00 0.00 0.00 175.76 176.77 2opk n ASP 11 N 0.87 -1.34 -4.60 0.00 8.00 -1.26 -4.94 116.55 113.28 2opk n ASP 11 Ca -0.01 -0.85 -0.42 0.00 0.71 0.00 0.00 54.79 54.22 2opk n ASP 11 Cb 0.50 -3.85 -0.04 0.00 -0.02 0.00 0.00 41.12 37.70 2opk n ASP 11 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2opk s VAL 12 N -3.69 4.67 -0.84 2.53 1.01 -1.26 -5.00 120.40 117.83 2opk s VAL 12 Ca 0.07 1.16 -0.25 0.00 0.00 0.00 0.00 61.98 62.95 2opk s VAL 12 Cb -0.03 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.09 2opk s VAL 12 CO 0.83 -0.43 1.65 -2.84 0.00 0.00 0.00 175.10 174.31 2opk s PRO 13 N 3.25 2.99 0.23 2.72 0.02 -1.26 -4.97 135.00 137.98 2opk s PRO 13 Ca 0.35 -0.32 -0.30 0.00 0.02 0.00 0.00 61.00 60.75 2opk s PRO 13 Cb -0.13 -4.82 -0.09 0.00 0.02 0.00 0.00 34.50 29.48 2opk s PRO 13 CO 0.16 -2.66 1.21 0.08 -0.33 0.00 0.00 177.00 175.46 2opk s VAL 14 N 7.53 3.38 0.00 3.83 1.01 -1.26 -3.09 120.40 131.80 2opk s VAL 14 Ca 0.55 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.76 2opk s VAL 14 Cb -0.06 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.53 2opk s VAL 14 CO 0.04 0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.98 2opk n GLY 15 N 1.82 0.71 3.75 4.51 0.00 -1.26 -5.01 105.19 109.71 2opk n GLY 15 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2opk n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2opk s ALA 16 N -2.88 3.74 0.27 4.61 0.00 -1.18 -4.91 121.76 121.41 2opk s ALA 16 Ca 0.00 1.56 -0.02 0.00 0.00 0.00 0.00 51.96 53.50 2opk s ALA 16 Cb 0.00 -3.64 0.41 0.00 0.00 0.00 0.00 23.12 19.89 2opk s ALA 16 CO 0.00 -0.97 1.87 -1.35 0.00 0.00 0.00 175.76 175.31 2opk h PRO 17 N 4.86 1.11 -6.13 0.00 0.11 -1.94 -3.42 132.00 126.59 2opk h PRO 17 Ca -0.47 -0.07 -0.59 0.00 0.11 0.00 0.00 66.00 64.99 2opk h PRO 17 Cb 1.22 -0.25 -0.14 0.00 0.11 0.00 0.00 31.00 31.94 2opk h PRO 17 CO 0.79 0.73 -0.76 -0.51 -0.21 0.00 0.00 178.00 178.05 2opk s ASP 18 N -5.87 3.41 0.51 -2.05 1.01 -1.26 -4.92 116.67 107.49 2opk s ASP 18 Ca -0.12 -1.01 -0.23 0.00 0.71 0.00 0.00 52.55 51.89 2opk s ASP 18 Cb 0.20 -0.27 -0.06 0.00 1.01 0.00 0.00 42.92 43.80 2opk s ASP 18 CO 0.81 0.01 1.38 -1.61 0.21 0.00 0.00 175.17 175.97 2opk s GLU 19 N -3.46 3.38 -0.12 8.23 2.02 -1.26 -4.88 118.70 122.61 2opk s GLU 19 Ca 0.28 2.28 0.00 0.00 0.02 0.00 0.00 54.97 57.56 2opk s GLU 19 Cb -0.05 -2.42 -0.02 0.00 0.10 0.00 0.00 34.13 31.75 2opk s GLU 19 CO 0.13 -1.02 -0.12 0.42 0.02 0.00 0.00 175.26 174.69 2opk s ILE 20 N -1.27 3.13 -0.10 -1.63 -1.09 -0.52 -4.98 121.20 114.74 2opk s ILE 20 Ca 0.67 -0.65 0.02 0.00 -2.23 0.00 0.00 60.65 58.47 2opk s ILE 20 Cb -0.41 -2.30 -0.01 0.00 -1.58 0.00 0.00 42.46 38.15 2opk s ILE 20 CO 0.50 0.53 -0.17 -0.36 -1.23 0.00 0.00 174.94 174.21 2opk s PHE 21 N 0.15 2.68 -0.08 3.97 0.40 -1.26 -1.11 117.98 122.73 2opk s PHE 21 Ca -0.07 -0.64 -0.03 0.00 -0.60 0.00 0.00 56.93 55.60 2opk s PHE 21 Cb -0.15 -1.74 0.04 0.00 0.51 0.00 0.00 43.02 41.68 2opk s PHE 21 CO 0.05 -0.18 0.05 -0.65 0.70 0.00 0.00 175.22 175.19 2opk s GLN 22 N 0.06 0.14 0.23 0.44 -0.21 -0.51 -5.01 119.66 114.80 2opk s GLN 22 Ca -0.07 0.18 -0.30 0.00 0.02 0.00 0.00 55.36 55.19 2opk s GLN 22 Cb -0.15 -0.98 -0.09 0.00 1.00 0.00 0.00 33.01 32.80 2opk s GLN 22 CO 0.05 -0.41 1.23 -1.25 -2.12 0.00 0.00 175.29 172.79 2opk s PRO 23 N 2.10 4.46 -0.20 2.91 0.04 -1.26 -0.69 135.00 142.37 2opk s PRO 23 Ca 0.04 1.97 0.05 0.00 0.04 0.00 0.00 61.00 63.10 2opk s PRO 23 Cb -0.13 -3.19 -0.15 0.00 0.04 0.00 0.00 34.50 31.06 2opk s PRO 23 CO -0.05 -0.11 -0.12 1.28 0.04 0.00 0.00 177.00 178.04 2opk n LEU 24 N 2.09 2.16 -3.77 -3.56 4.77 0.26 -4.89 117.00 114.07 2opk n LEU 24 Ca 0.03 -0.08 -0.14 0.00 -0.03 0.00 0.00 56.01 55.80 2opk n LEU 24 Cb 0.44 -0.42 -0.15 0.00 -2.33 0.00 0.00 43.42 40.96 2opk n LEU 24 CO 0.57 0.73 -0.26 -0.22 -1.33 0.00 0.00 177.39 176.88 2opk s LEU 25 N -5.94 0.96 -0.13 2.23 2.96 -0.95 -4.99 118.68 112.82 2opk s LEU 25 Ca -0.23 0.22 -0.01 0.00 -0.22 0.00 0.00 54.13 53.90 2opk s LEU 25 Cb 0.07 0.26 0.03 0.00 0.50 0.00 0.00 46.19 47.05 2opk s LEU 25 CO 0.53 -0.12 -0.06 -1.61 -1.32 0.00 0.00 176.35 173.77 2opk s GLU 26 N 0.96 1.44 0.19 1.98 2.02 -1.26 -0.72 118.70 123.30 2opk s GLU 26 Ca -0.08 -0.31 0.01 0.00 0.02 0.00 0.00 54.97 54.61 2opk s GLU 26 Cb -0.10 -1.69 -0.04 0.00 0.10 0.00 0.00 34.13 32.40 2opk s GLU 26 CO -0.04 -0.32 0.06 1.03 0.02 0.00 0.00 175.26 176.00 2opk s ARG 27 N 1.70 1.16 0.10 1.61 1.81 -0.30 -5.03 118.95 120.01 2opk s ARG 27 Ca 0.04 -1.59 -0.31 0.00 -1.72 0.00 0.00 55.73 52.15 2opk s ARG 27 Cb -0.13 -0.05 -0.11 0.00 -0.45 0.00 0.00 34.95 34.21 2opk s ARG 27 CO -0.08 -0.25 1.85 0.36 -0.68 0.00 0.00 175.30 176.51 2opk n LYS 28 N -0.27 2.77 -1.27 3.54 2.85 -1.26 -0.94 118.16 123.58 2opk n LYS 28 Ca -0.03 1.01 -0.09 0.00 -1.05 0.00 0.00 58.31 58.15 2opk n LYS 28 Cb 0.65 -2.91 -0.04 0.00 -0.65 0.00 0.00 35.03 32.08 2opk n LYS 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2opk n GLY 29 N 4.27 1.08 3.28 2.58 0.00 -1.26 -5.01 105.19 110.13 2opk n GLY 29 Ca 0.18 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 2opk n GLY 29 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2opk s LEU 30 N -2.09 -0.35 -0.05 0.99 2.96 -0.12 -3.67 118.68 116.35 2opk s LEU 30 Ca 0.00 0.95 0.02 0.00 -0.22 0.00 0.00 54.13 54.88 2opk s LEU 30 Cb 0.00 1.38 0.02 0.00 0.50 0.00 0.00 46.19 48.09 2opk s LEU 30 CO 0.00 -0.21 -0.09 -0.75 -1.32 0.00 0.00 176.35 173.98 2opk s LYS 31 N 1.90 1.25 -0.16 1.98 2.20 -0.44 -1.15 119.74 125.33 2opk s LYS 31 Ca -0.06 -0.27 -0.01 0.00 -0.36 0.00 0.00 55.97 55.27 2opk s LYS 31 Cb -0.10 -1.11 -0.01 0.00 -1.51 0.00 0.00 37.83 35.11 2opk s LYS 31 CO -0.13 -0.01 -0.12 0.42 -0.36 0.00 0.00 175.35 175.15 2opk s ILE 32 N 0.72 2.96 0.03 5.43 1.01 0.11 -0.09 121.20 131.36 2opk s ILE 32 Ca -0.12 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 59.86 2opk s ILE 32 Cb -0.15 -2.27 -0.02 0.00 0.01 0.00 0.00 42.46 40.03 2opk s ILE 32 CO 0.02 0.50 -0.04 -1.83 0.00 0.00 0.00 174.94 173.59 2opk s GLU 33 N 0.77 0.38 0.00 2.79 -1.05 -0.22 0.92 118.70 122.29 2opk s GLU 33 Ca -0.05 -0.69 -0.18 0.00 -0.15 0.00 0.00 54.97 53.90 2opk s GLU 33 Cb -0.15 0.04 -0.06 0.00 -0.44 0.00 0.00 34.13 33.52 2opk s GLU 33 CO 0.01 -0.03 0.53 0.50 0.95 0.00 0.00 175.26 177.21 2opk s ARG 34 N -1.67 4.19 -0.07 -4.83 3.52 0.14 -1.26 118.95 118.98 2opk s ARG 34 Ca -0.13 0.62 0.05 0.00 -0.13 0.00 0.00 55.73 56.14 2opk s ARG 34 Cb -0.09 -3.30 -0.01 0.00 -1.56 0.00 0.00 34.95 30.00 2opk s ARG 34 CO -0.01 0.49 -0.24 0.42 -0.81 0.00 0.00 175.30 175.15 2opk s ILE 35 N -0.55 2.13 -0.25 4.11 1.01 -0.76 -1.42 121.20 125.47 2opk s ILE 35 Ca 0.28 -1.03 0.00 0.00 0.00 0.00 0.00 60.65 59.90 2opk s ILE 35 Cb -0.18 -1.78 0.04 0.00 0.01 0.00 0.00 42.46 40.55 2opk s ILE 35 CO 0.16 0.57 -0.09 -0.63 0.00 0.00 0.00 174.94 174.95 2opk s ILE 36 N -0.10 2.56 0.18 2.92 -1.09 -0.27 -0.89 121.20 124.51 2opk s ILE 36 Ca -0.05 -1.23 0.05 0.00 -2.23 0.00 0.00 60.65 57.18 2opk s ILE 36 Cb -0.14 -2.35 -0.04 0.00 -1.58 0.00 0.00 42.46 38.35 2opk s ILE 36 CO 0.04 0.15 0.19 -0.44 -1.23 0.00 0.00 174.94 173.65 2opk s SER 37 N 1.25 5.75 -0.37 3.58 0.01 0.09 -1.43 113.70 122.57 2opk s SER 37 Ca -0.02 -0.07 0.12 0.00 1.31 0.00 0.00 55.95 57.29 2opk s SER 37 Cb -0.17 -1.57 0.35 0.00 0.21 0.00 0.00 66.02 64.84 2opk s SER 37 CO -0.06 0.04 0.75 0.59 0.41 0.00 0.00 173.24 174.98 2opk n ASN 38 N -0.58 0.70 0.00 2.44 3.02 -1.26 -0.89 115.26 118.69 2opk n ASN 38 Ca -0.08 -3.03 0.00 0.00 -0.03 0.00 0.00 54.58 51.44 2opk n ASN 38 Cb 0.55 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 2opk n ASN 38 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2opk n GLY 39 N 0.27 0.73 3.88 7.41 0.00 -1.12 -4.92 105.19 111.44 2opk n GLY 39 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 2opk n GLY 39 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2opk s GLN 40 N -0.63 3.44 0.15 1.61 1.11 -1.26 -4.45 119.66 119.62 2opk s GLN 40 Ca 0.00 0.60 -0.02 0.00 0.01 0.00 0.00 55.36 55.95 2opk s GLN 40 Cb 0.00 -2.11 -0.04 0.00 -1.01 0.00 0.00 33.01 29.85 2opk s GLN 40 CO 0.00 -0.61 0.10 0.00 0.01 0.00 0.00 175.29 174.79 2opk s ALA 41 N -3.15 0.84 0.36 6.09 0.00 -1.26 -3.12 121.76 121.52 2opk s ALA 41 Ca 0.55 -1.46 -0.28 0.00 0.00 0.00 0.00 51.96 50.76 2opk s ALA 41 Cb -0.11 0.98 -0.10 0.00 0.00 0.00 0.00 23.12 23.89 2opk s ALA 41 CO 0.52 -0.53 1.35 -1.12 0.00 0.00 0.00 175.76 175.98 2opk s SER 42 N -3.07 6.56 0.72 0.00 0.01 0.68 -4.98 113.70 113.62 2opk s SER 42 Ca 0.27 2.77 -0.15 0.00 1.31 0.00 0.00 55.95 60.15 2opk s SER 42 Cb 0.07 -2.65 0.04 0.00 0.21 0.00 0.00 66.02 63.68 2opk s SER 42 CO 0.04 -0.69 1.18 -2.16 0.41 0.00 0.00 173.24 172.02 2opk s PRO 43 N -1.97 2.22 0.09 12.44 0.04 -1.26 -4.89 135.00 141.67 2opk s PRO 43 Ca 0.52 1.66 -0.37 0.00 0.04 0.00 0.00 61.00 62.85 2opk s PRO 43 Cb -0.41 -1.85 -0.17 0.00 0.04 0.00 0.00 34.50 32.11 2opk s PRO 43 CO 0.55 -1.75 1.34 -2.30 0.04 0.00 0.00 177.00 174.87 2opk n PRO 44 N -2.74 1.13 -0.91 0.56 -0.02 -1.26 -1.53 135.00 130.23 2opk n PRO 44 Ca 0.13 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 2opk n PRO 44 Cb 0.51 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 2opk n PRO 44 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2opk n GLY 45 N 2.50 0.69 3.73 -1.23 0.00 -1.26 -5.01 105.19 104.61 2opk n GLY 45 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 2opk n GLY 45 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2opk s PHE 46 N -3.00 3.55 -0.01 1.61 5.36 -0.58 -5.06 117.98 119.85 2opk s PHE 46 Ca 0.00 1.00 0.04 0.00 -0.96 0.00 0.00 56.93 57.01 2opk s PHE 46 Cb 0.00 -2.61 -0.01 0.00 -0.34 0.00 0.00 43.02 40.06 2opk s PHE 46 CO 0.00 0.18 -0.14 -1.58 -1.46 0.00 0.00 175.22 172.22 2opk s TRP 47 N 0.55 1.23 0.35 10.12 0.52 -1.26 -4.74 118.94 125.71 2opk s TRP 47 Ca 0.29 -0.24 -0.26 0.00 0.02 0.00 0.00 56.10 55.91 2opk s TRP 47 Cb -0.16 -0.79 -0.09 0.00 -1.15 0.00 0.00 33.47 31.28 2opk s TRP 47 CO 0.13 -0.02 1.03 0.71 0.02 0.00 0.00 176.95 178.82 2opk s TYR 48 N -0.37 3.48 -0.31 -1.98 2.02 0.61 -4.90 117.35 115.91 2opk s TYR 48 Ca 0.05 1.71 0.03 0.00 -0.37 0.00 0.00 57.07 58.48 2opk s TYR 48 Cb -0.05 -3.10 0.16 0.00 -0.40 0.00 0.00 41.96 38.57 2opk s TYR 48 CO -0.00 -0.33 0.42 0.34 -1.57 0.00 0.00 175.55 174.41 2opk s ASP 49 N -1.42 0.33 0.01 2.29 -1.08 -1.26 -2.77 116.67 112.77 2opk s ASP 49 Ca 0.52 -0.57 0.02 0.00 -0.52 0.00 0.00 52.55 52.00 2opk s ASP 49 Cb -0.23 1.10 -0.04 0.00 -1.46 0.00 0.00 42.92 42.30 2opk s ASP 49 CO 0.29 -0.33 -0.01 -0.55 0.52 0.00 0.00 175.17 175.10 2opk s SER 50 N 2.35 5.02 0.00 -0.34 0.15 -1.26 -4.90 113.70 114.71 2opk s SER 50 Ca 0.11 -0.05 0.26 0.00 0.70 0.00 0.00 55.95 56.97 2opk s SER 50 Cb -0.12 -1.27 1.31 0.00 -1.71 0.00 0.00 66.02 64.22 2opk s SER 50 CO -0.25 0.27 1.89 -0.81 1.20 0.00 0.00 173.24 175.54 2opk n PRO 51 N 1.34 0.33 -4.03 5.44 -0.04 -1.26 -0.00 135.00 136.78 2opk n PRO 51 Ca -0.14 0.04 -0.26 0.00 -0.04 0.00 0.00 63.50 63.09 2opk n PRO 51 Cb 0.53 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.44 2opk n PRO 51 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2opk s GLN 52 N -2.63 3.11 0.64 0.54 -0.21 -1.26 -4.47 119.66 115.38 2opk s GLN 52 Ca 0.23 -0.76 -0.14 0.00 0.02 0.00 0.00 55.36 54.72 2opk s GLN 52 Cb 0.18 -2.77 -0.01 0.00 1.00 0.00 0.00 33.01 31.40 2opk s GLN 52 CO 0.41 0.50 1.06 -0.51 -2.12 0.00 0.00 175.29 174.64 2opk s ASP 53 N -3.14 5.53 -0.02 5.90 1.11 0.61 -3.63 116.67 123.03 2opk s ASP 53 Ca 0.32 1.77 0.01 0.00 0.18 0.00 0.00 52.55 54.84 2opk s ASP 53 Cb -0.10 -2.52 0.01 0.00 1.07 0.00 0.00 42.92 41.37 2opk s ASP 53 CO 0.25 -1.34 -0.04 -0.70 1.18 0.00 0.00 175.17 174.52 2opk s GLU 54 N -4.42 0.53 -0.20 8.23 2.12 -0.52 -2.21 118.70 122.22 2opk s GLU 54 Ca 0.62 -0.10 0.00 0.00 0.36 0.00 0.00 54.97 55.85 2opk s GLU 54 Cb -0.16 -0.56 0.02 0.00 0.26 0.00 0.00 34.13 33.69 2opk s GLU 54 CO 0.44 -0.01 -0.15 -0.46 -0.54 0.00 0.00 175.26 174.54 2opk s TRP 55 N 0.48 2.89 0.34 5.30 -0.00 -0.01 -0.10 118.94 127.83 2opk s TRP 55 Ca -0.05 -1.61 0.04 0.00 -0.00 0.00 0.00 56.10 54.48 2opk s TRP 55 Cb -0.09 -1.96 -0.03 0.00 -0.00 0.00 0.00 33.47 31.38 2opk s TRP 55 CO -0.00 -0.77 0.18 0.54 -0.00 0.00 0.00 176.95 176.89 2opk s VAL 56 N 1.30 0.32 -0.12 5.86 0.11 -0.39 0.33 120.40 127.80 2opk s VAL 56 Ca 0.03 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 57.08 2opk s VAL 56 Cb -0.14 -2.47 0.02 0.00 -1.53 0.00 0.00 36.38 32.26 2opk s VAL 56 CO -0.10 0.00 -0.11 -0.69 -3.33 0.00 0.00 175.10 170.87 2opk s VAL 58 N -3.47 1.30 -0.18 2.04 1.01 -0.48 -0.54 120.40 120.08 2opk s VAL 58 Ca 0.34 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 61.91 2opk s VAL 58 Cb 0.04 -1.25 -0.22 0.00 0.00 0.00 0.00 36.38 34.94 2opk s VAL 58 CO 0.19 0.41 0.11 0.52 0.00 0.00 0.00 175.10 176.34 2opk n VAL 59 N 4.74 1.54 -3.79 2.92 0.31 0.82 -0.16 118.33 124.70 2opk n VAL 59 Ca -0.16 -0.71 -0.11 0.00 -0.01 0.00 0.00 64.34 63.35 2opk n VAL 59 Cb 0.50 -1.13 -0.08 0.00 -0.91 0.00 0.00 33.84 32.22 2opk n VAL 59 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2opk s SER 60 N -6.24 -0.07 0.00 4.52 0.15 -0.99 -4.61 113.70 106.46 2opk s SER 60 Ca -0.20 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.21 2opk s SER 60 Cb 0.07 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 2opk s SER 60 CO 0.74 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 175.21 2opk n GLY 61 N 0.67 -0.07 3.51 9.45 0.00 -1.24 -0.96 105.19 116.55 2opk n GLY 61 Ca -0.19 -1.18 -0.13 0.00 0.00 0.00 0.00 46.02 44.52 2opk n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2opk s SER 62 N -4.00 -0.50 0.24 1.61 1.04 -1.26 -4.04 113.70 106.79 2opk s SER 62 Ca 0.00 0.33 -0.19 0.00 0.48 0.00 0.00 55.95 56.57 2opk s SER 62 Cb 0.00 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.60 2opk s SER 62 CO 0.00 -0.61 0.63 0.00 0.98 0.00 0.00 173.24 174.24 2opk s ALA 63 N -2.11 -1.08 -0.12 5.32 0.00 -1.26 -0.36 121.76 122.15 2opk s ALA 63 Ca -0.03 -0.25 0.02 0.00 0.00 0.00 0.00 51.96 51.70 2opk s ALA 63 Cb -0.01 0.88 0.01 0.00 0.00 0.00 0.00 23.12 24.01 2opk s ALA 63 CO -0.01 -0.92 -0.17 0.20 0.00 0.00 0.00 175.76 174.86 2opk s GLY 64 N -2.90 1.11 -0.11 0.00 0.00 -0.55 -4.39 107.32 100.48 2opk s GLY 64 Ca 0.11 -0.81 0.01 0.00 0.00 0.00 0.00 44.72 44.02 2opk s GLY 64 CO 0.02 0.19 -0.13 -0.42 0.00 0.00 0.00 173.10 172.76 2opk s ILE 65 N 0.98 3.07 -0.20 0.90 1.01 -0.65 -0.26 121.20 126.05 2opk s ILE 65 Ca -0.06 -0.67 -0.04 0.00 0.00 0.00 0.00 60.65 59.87 2opk s ILE 65 Cb -0.15 -2.26 -0.02 0.00 0.01 0.00 0.00 42.46 40.04 2opk s ILE 65 CO -0.02 0.54 -0.02 -0.70 0.00 0.00 0.00 174.94 174.74 2opk s GLU 66 N 0.06 3.57 0.06 2.79 2.12 -0.56 -0.25 118.70 126.50 2opk s GLU 66 Ca -0.05 -0.55 -0.03 0.00 0.36 0.00 0.00 54.97 54.71 2opk s GLU 66 Cb -0.15 -3.03 -0.05 0.00 0.26 0.00 0.00 34.13 31.17 2opk s GLU 66 CO 0.04 0.01 0.26 0.00 -0.54 0.00 0.00 175.26 175.03 2opk s GLU 68 N -2.36 4.28 0.00 0.00 2.12 -0.03 -1.74 118.70 120.96 2opk s GLU 68 Ca 0.34 2.23 0.00 0.00 0.36 0.00 0.00 54.97 57.90 2opk s GLU 68 Cb -0.13 -3.17 0.00 0.00 0.26 0.00 0.00 34.13 31.09 2opk s GLU 68 CO 0.24 -0.46 0.00 0.41 -0.54 0.00 0.00 175.26 174.91 2opk n GLY 69 N 3.02 3.31 3.77 -1.50 0.00 -1.26 -4.93 105.19 107.60 2opk n GLY 69 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 2opk n GLY 69 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2opk s ASP 70 N -1.15 6.17 0.43 1.61 1.01 -0.71 -4.94 116.67 119.10 2opk s ASP 70 Ca 0.00 2.69 0.24 0.00 0.71 0.00 0.00 52.55 56.19 2opk s ASP 70 Cb 0.00 -2.64 0.82 0.00 1.01 0.00 0.00 42.92 42.11 2opk s ASP 70 CO 0.00 -0.95 1.78 0.71 0.21 0.00 0.00 175.17 176.92 2opk h THR 71 N 2.35 0.48 -2.25 -1.27 1.35 -1.98 -3.47 112.91 108.12 2opk h THR 71 Ca -0.50 -1.17 0.00 0.00 -0.55 0.00 0.00 66.41 64.19 2opk h THR 71 Cb 1.25 1.84 -0.17 0.00 -1.73 0.00 0.00 68.15 69.34 2opk h THR 71 CO 0.62 0.21 0.31 0.00 -0.25 0.00 0.00 175.52 176.41 2opk s ALA 72 N -3.53 -1.76 0.58 6.62 0.00 -1.26 -5.16 121.76 117.24 2opk s ALA 72 Ca 0.02 1.08 -0.21 0.00 0.00 0.00 0.00 51.96 52.85 2opk s ALA 72 Cb 0.09 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.37 2opk s ALA 72 CO 0.64 -0.53 1.30 -2.30 0.00 0.00 0.00 175.76 174.88 2opk n PRO 73 N 0.32 1.47 -2.99 0.00 -0.02 -1.26 -4.87 135.00 127.65 2opk n PRO 73 Ca -0.15 0.55 -0.40 0.00 -2.02 0.00 0.00 63.50 61.47 2opk n PRO 73 Cb 0.60 -2.52 -0.04 0.00 -0.02 0.00 0.00 33.50 31.52 2opk n PRO 73 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2opk s ARG 74 N -2.98 4.37 0.93 -0.52 0.52 0.66 -4.83 118.95 117.09 2opk s ARG 74 Ca 0.75 0.92 -0.15 0.00 -0.52 0.00 0.00 55.73 56.73 2opk s ARG 74 Cb -0.41 -3.50 0.21 0.00 0.52 0.00 0.00 34.95 31.77 2opk s ARG 74 CO 0.47 -0.10 1.26 0.28 0.02 0.00 0.00 175.30 177.23 2opk n VAL 75 N 4.20 0.00 0.00 3.52 0.31 -1.26 -1.64 118.33 123.46 2opk n VAL 75 Ca 0.01 -0.99 0.00 0.00 -0.01 0.00 0.00 64.34 63.35 2opk n VAL 75 Cb 0.50 -1.48 0.00 0.00 -0.91 0.00 0.00 33.84 31.95 2opk n VAL 75 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2opk n ARG 77 N -3.65 -0.19 -1.62 5.55 1.74 -1.26 -5.00 116.66 112.22 2opk n ARG 77 Ca 0.16 0.00 -0.56 0.00 -0.77 0.00 0.00 57.85 56.68 2opk n ARG 77 Cb 0.56 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.93 2opk n ARG 77 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2opk n PRO 78 N -0.42 0.91 0.00 5.56 -0.02 -1.26 -1.12 135.00 138.65 2opk n PRO 78 Ca 0.00 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 2opk n PRO 78 Cb 0.00 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 2opk n PRO 78 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2opk n GLY 79 N 2.94 2.83 3.72 -1.23 0.00 0.78 -4.99 105.19 109.23 2opk n GLY 79 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2opk n GLY 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2opk s ASP 80 N -1.21 7.03 0.18 1.61 1.01 -0.28 -4.88 116.67 120.14 2opk s ASP 80 Ca 0.00 2.12 0.07 0.00 0.71 0.00 0.00 52.55 55.45 2opk s ASP 80 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 2opk s ASP 80 CO 0.00 -0.48 -0.14 -1.66 0.21 0.00 0.00 175.17 173.09 2opk s TRP 81 N 0.83 1.64 -0.08 4.23 1.48 -1.26 -1.39 118.94 124.38 2opk s TRP 81 Ca 0.58 -0.57 -0.05 0.00 -1.06 0.00 0.00 56.10 55.00 2opk s TRP 81 Cb -0.31 -0.79 0.03 0.00 -1.16 0.00 0.00 33.47 31.24 2opk s TRP 81 CO 0.31 0.30 0.20 -1.17 -4.06 0.00 0.00 176.95 172.53 2opk s LEU 82 N -3.09 0.80 -0.26 -4.66 2.96 0.30 -4.99 118.68 109.74 2opk s LEU 82 Ca 0.19 0.42 -0.10 0.00 -0.22 0.00 0.00 54.13 54.42 2opk s LEU 82 Cb -0.02 0.62 -0.05 0.00 0.50 0.00 0.00 46.19 47.25 2opk s LEU 82 CO 0.06 -0.12 0.15 -2.28 -1.32 0.00 0.00 176.35 172.83 2opk s HIS 83 N 0.80 3.22 -0.36 5.38 5.65 -1.26 -1.27 115.29 127.45 2opk s HIS 83 Ca -0.06 0.04 -0.02 0.00 0.25 0.00 0.00 55.06 55.27 2opk s HIS 83 Cb -0.07 -2.31 0.08 0.00 -1.18 0.00 0.00 32.58 29.10 2opk s HIS 83 CO -0.05 -0.12 0.11 0.08 -0.65 0.00 0.00 174.74 174.11 2opk s VAL 84 N 1.47 3.15 0.92 0.89 1.01 0.85 -5.01 120.40 123.69 2opk s VAL 84 Ca 0.07 -1.73 -0.11 0.00 0.00 0.00 0.00 61.98 60.21 2opk s VAL 84 Cb -0.15 -3.00 0.15 0.00 0.00 0.00 0.00 36.38 33.38 2opk s VAL 84 CO 0.07 -0.41 1.11 -2.84 0.00 0.00 0.00 175.10 173.03 2opk s PRO 85 N 1.19 0.99 0.27 2.72 0.02 -1.26 -1.44 135.00 137.50 2opk s PRO 85 Ca 0.02 1.28 -0.30 0.00 0.02 0.00 0.00 61.00 62.02 2opk s PRO 85 Cb -0.21 -1.74 -0.12 0.00 0.02 0.00 0.00 34.50 32.44 2opk s PRO 85 CO -0.03 -2.56 1.49 0.00 -0.33 0.00 0.00 177.00 175.58 2opk n ALA 86 N -4.16 1.84 -0.60 -1.55 0.00 -1.24 -1.76 120.51 113.04 2opk n ALA 86 Ca 0.09 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.92 2opk n ALA 86 Cb 0.53 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.61 2opk n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2opk n HIS 87 N 1.92 0.00 -2.79 0.00 8.25 1.00 -4.99 115.22 118.61 2opk n HIS 87 Ca 0.10 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.14 2opk n HIS 87 Cb 0.34 -0.46 -0.03 0.00 1.12 0.00 0.00 29.99 30.96 2opk n HIS 87 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2opk s ARG 89 N 1.67 4.26 0.25 0.00 0.52 -1.26 -4.70 118.95 119.69 2opk s ARG 89 Ca 0.45 0.82 -0.13 0.00 -0.52 0.00 0.00 55.73 56.34 2opk s ARG 89 Cb -0.18 -3.19 -0.00 0.00 0.52 0.00 0.00 34.95 32.09 2opk s ARG 89 CO 0.19 0.59 0.50 -3.38 0.02 0.00 0.00 175.30 173.22 2opk s HIS 90 N -1.18 0.31 0.20 -0.53 -3.43 -1.11 -0.85 115.29 108.69 2opk s HIS 90 Ca 0.32 -0.68 -0.18 0.00 -0.80 0.00 0.00 55.06 53.72 2opk s HIS 90 Cb -0.20 0.23 0.03 0.00 -1.43 0.00 0.00 32.58 31.22 2opk s HIS 90 CO 0.21 -1.01 0.55 -0.98 -2.00 0.00 0.00 174.74 171.50 2opk s ARG 91 N -4.01 1.40 -0.34 -0.38 1.70 -0.36 -0.28 118.95 116.68 2opk s ARG 91 Ca 0.21 -0.83 -0.15 0.00 -0.47 0.00 0.00 55.73 54.49 2opk s ARG 91 Cb -0.01 0.54 -0.01 0.00 -0.57 0.00 0.00 34.95 34.89 2opk s ARG 91 CO 0.09 -0.60 0.36 0.08 -1.08 0.00 0.00 175.30 174.14 2opk s VAL 92 N -3.86 5.17 0.09 4.99 1.01 -1.26 -1.50 120.40 125.04 2opk s VAL 92 Ca 0.08 0.07 -0.12 0.00 0.00 0.00 0.00 61.98 62.01 2opk s VAL 92 Cb -0.01 -3.81 -0.21 0.00 0.00 0.00 0.00 36.38 32.35 2opk s VAL 92 CO -0.03 -0.07 1.23 0.00 0.00 0.00 0.00 175.10 176.22 2opk h ALA 93 N 8.45 0.20 -2.64 5.51 0.00 -0.98 0.19 119.26 129.99 2opk h ALA 93 Ca -0.30 -0.68 0.05 0.00 0.00 0.00 0.00 54.91 53.98 2opk h ALA 93 Cb 1.15 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.84 2opk h ALA 93 CO 0.69 0.71 0.35 1.67 0.00 0.00 0.00 179.25 182.67 2opk s TRP 94 N -3.38 -0.42 0.14 0.00 1.48 -1.16 -4.74 118.94 110.86 2opk s TRP 94 Ca -0.09 0.23 0.05 0.00 -1.06 0.00 0.00 56.10 55.23 2opk s TRP 94 Cb 0.08 0.56 -0.04 0.00 -1.16 0.00 0.00 33.47 32.90 2opk s TRP 94 CO 0.91 -0.72 -0.11 0.95 -4.06 0.00 0.00 176.95 173.91 2opk s THR 95 N -3.45 1.22 0.06 0.66 -4.23 -1.18 -1.48 115.64 107.25 2opk s THR 95 Ca 0.04 -1.98 -0.37 0.00 -1.18 0.00 0.00 61.69 58.19 2opk s THR 95 Cb -0.01 -1.77 -0.17 0.00 1.34 0.00 0.00 72.50 71.89 2opk s THR 95 CO -0.10 -0.67 1.31 -0.67 -0.54 0.00 0.00 174.62 173.95 2opk n ASP 96 N -0.03 1.40 0.10 3.99 -0.08 0.52 -4.37 116.55 118.07 2opk n ASP 96 Ca -0.11 1.12 0.12 0.00 -1.51 0.00 0.00 54.79 54.41 2opk n ASP 96 Cb 0.60 -1.15 0.24 0.00 2.34 0.00 0.00 41.12 43.15 2opk n ASP 96 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2opk h GLY 97 N 4.37 0.00 0.00 0.27 0.00 -1.91 -2.97 103.07 102.84 2opk h GLY 97 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2opk h GLY 97 CO 0.76 0.00 -0.65 0.61 0.00 0.00 0.00 176.54 177.26 2opk n GLY 98 N 1.28 -0.29 3.69 4.60 0.00 -1.26 -4.91 105.19 108.30 2opk n GLY 98 Ca 0.04 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 2opk n GLY 98 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2opk s GLU 99 N -2.29 1.59 0.41 1.61 -1.05 -1.26 -5.14 118.70 112.56 2opk s GLU 99 Ca 0.05 -0.80 -0.25 0.00 -0.15 0.00 0.00 54.97 53.82 2opk s GLU 99 Cb 0.10 0.60 -0.08 0.00 -0.44 0.00 0.00 34.13 34.31 2opk s GLU 99 CO 0.56 -0.72 1.20 -2.14 0.95 0.00 0.00 175.26 175.11 2opk s PRO 100 N -3.86 4.01 -0.28 -4.83 0.02 -1.26 -4.62 135.00 124.18 2opk s PRO 100 Ca 0.07 1.91 -0.11 0.00 0.02 0.00 0.00 61.00 62.90 2opk s PRO 100 Cb -0.04 -2.67 -0.05 0.00 0.02 0.00 0.00 34.50 31.76 2opk s PRO 100 CO -0.01 -0.38 0.17 0.99 -0.33 0.00 0.00 177.00 177.45 2opk s THR 101 N -1.38 5.15 -0.26 0.99 2.01 -0.07 -3.72 115.64 118.36 2opk s THR 101 Ca 0.58 0.10 -0.08 0.00 0.31 0.00 0.00 61.69 62.59 2opk s THR 101 Cb -0.32 -3.46 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 2opk s THR 101 CO 0.41 0.25 0.10 -0.69 -0.69 0.00 0.00 174.62 174.00 2opk s VAL 102 N 1.74 4.53 0.12 3.82 1.01 -0.13 -0.73 120.40 130.75 2opk s VAL 102 Ca 0.07 -0.15 0.07 0.00 0.00 0.00 0.00 61.98 61.97 2opk s VAL 102 Cb -0.16 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 2opk s VAL 102 CO 0.10 0.28 -0.08 0.26 0.00 0.00 0.00 175.10 175.66 2opk s TRP 103 N 1.64 2.76 -0.16 5.22 0.52 -0.07 -0.13 118.94 128.71 2opk s TRP 103 Ca 0.06 -0.15 -0.01 0.00 0.02 0.00 0.00 56.10 56.02 2opk s TRP 103 Cb -0.16 -1.41 -0.01 0.00 -1.15 0.00 0.00 33.47 30.74 2opk s TRP 103 CO 0.05 0.45 -0.12 -1.17 0.02 0.00 0.00 176.95 176.19 2opk s LEU 104 N -2.39 2.65 -0.02 2.99 2.96 -1.26 -1.83 118.68 121.78 2opk s LEU 104 Ca 0.23 -0.41 0.05 0.00 -0.22 0.00 0.00 54.13 53.78 2opk s LEU 104 Cb -0.11 -1.62 -0.01 0.00 0.50 0.00 0.00 46.19 44.95 2opk s LEU 104 CO 0.15 0.08 -0.16 0.00 -1.32 0.00 0.00 176.35 175.10 2opk s ALA 105 N 0.83 1.37 -0.12 5.97 0.00 -0.39 -4.37 121.76 125.06 2opk s ALA 105 Ca -0.04 -0.70 0.03 0.00 0.00 0.00 0.00 51.96 51.25 2opk s ALA 105 Cb -0.15 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.61 2opk s ALA 105 CO 0.00 0.33 -0.21 0.08 0.00 0.00 0.00 175.76 175.96 2opk s VAL 106 N -0.34 1.89 -0.20 0.00 1.01 0.15 -1.06 120.40 121.86 2opk s VAL 106 Ca 0.05 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.10 2opk s VAL 106 Cb -0.07 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 2opk s VAL 106 CO -0.00 0.52 -0.05 -1.00 0.00 0.00 0.00 175.10 174.56 2opk s HIS 107 N 0.68 2.95 0.26 5.22 3.76 0.87 -0.83 115.29 128.19 2opk s HIS 107 Ca -0.11 -0.80 -0.04 0.00 -0.15 0.00 0.00 55.06 53.96 2opk s HIS 107 Cb -0.16 -2.05 -0.02 0.00 1.11 0.00 0.00 32.58 31.46 2opk s HIS 107 CO 0.02 -0.43 0.33 0.00 -0.85 0.00 0.00 174.74 173.81 2opk s ASP 109 N -3.15 5.28 1.03 0.00 1.01 -1.24 -0.28 116.67 119.32 2opk s ASP 109 Ca 0.32 2.23 -0.14 0.00 0.71 0.00 0.00 52.55 55.67 2opk s ASP 109 Cb 0.03 -2.58 0.20 0.00 1.01 0.00 0.00 42.92 41.58 2opk s ASP 109 CO 0.14 -1.52 1.11 0.00 0.21 0.00 0.00 175.17 175.11 2opk s ALA 110 N -1.84 1.01 -1.73 5.23 0.00 -1.26 -4.45 121.76 118.71 2opk s ALA 110 Ca 0.73 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.17 2opk s ALA 110 Cb -0.26 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 19.81 2opk s ALA 110 CO 0.33 -2.91 0.43 0.00 0.00 0.00 0.00 175.76 173.62