#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1md2 n PRO 2 N 0.00 2.45 0.09 -2.82 -0.02 -1.26 -4.89 135.00 128.56 1md2 n PRO 2 Ca 0.00 0.86 0.12 0.00 -2.02 0.00 0.00 63.50 62.46 1md2 n PRO 2 Cb 0.00 -2.58 0.18 0.00 -0.02 0.00 0.00 33.50 31.08 1md2 n PRO 2 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1md2 h GLN 3 N 2.69 0.00 -2.46 -0.52 1.08 -2.01 -3.49 115.11 110.40 1md2 h GLN 3 Ca -0.50 0.00 0.16 0.00 -1.45 0.00 0.00 58.65 56.86 1md2 h GLN 3 Cb 1.26 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.62 1md2 h GLN 3 CO 0.63 0.00 0.46 0.54 -0.95 0.00 0.00 178.83 179.51 1md2 s ASN 4 N -4.72 -0.15 0.39 1.46 2.20 -1.26 -5.04 114.94 107.82 1md2 s ASN 4 Ca 0.06 -0.50 0.11 0.00 -0.94 0.00 0.00 52.86 51.59 1md2 s ASN 4 Cb 0.12 0.53 0.79 0.00 -2.00 0.00 0.00 41.25 40.68 1md2 s ASN 4 CO 0.71 -1.00 1.89 -0.29 -2.94 0.00 0.00 177.10 175.47 1md2 h ILE 5 N 2.00 1.20 -0.29 0.54 2.10 -1.96 -2.12 117.51 118.97 1md2 h ILE 5 Ca -0.24 -0.93 -0.05 0.00 1.08 0.00 0.00 64.86 64.72 1md2 h ILE 5 Cb 1.23 1.39 -0.01 0.00 -1.09 0.00 0.00 36.82 38.34 1md2 h ILE 5 CO 0.27 0.28 -0.01 0.74 -1.08 0.00 0.00 178.15 178.35 1md2 h THR 6 N 0.12 1.26 -0.50 2.19 2.02 -2.00 -3.00 112.91 113.00 1md2 h THR 6 Ca 0.02 -0.95 -0.08 0.00 0.77 0.00 0.00 66.41 66.17 1md2 h THR 6 Cb 0.47 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 1md2 h THR 6 CO 0.03 0.31 0.00 0.44 0.37 0.00 0.00 175.52 176.67 1md2 h ASP 7 N 0.31 0.81 0.00 4.18 3.32 -1.93 -1.75 116.42 121.36 1md2 h ASP 7 Ca 0.08 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1md2 h ASP 7 Cb 0.44 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1md2 h ASP 7 CO 0.02 0.87 0.00 -0.11 -1.72 0.00 0.00 179.24 178.30 1md2 n LEU 8 N -4.21 0.20 0.00 1.55 0.00 -0.82 -3.42 117.00 110.31 1md2 n LEU 8 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 56.01 55.94 1md2 n LEU 8 Cb 0.31 -0.07 0.00 0.00 0.00 0.00 0.00 43.42 43.66 1md2 n LEU 8 CO 0.42 0.04 0.00 0.00 0.00 0.00 0.00 177.39 177.85 1md2 n ALA 10 N 0.57 0.00 0.83 1.96 0.00 -0.66 -4.19 120.51 119.01 1md2 n ALA 10 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1md2 n ALA 10 Cb 0.04 0.00 0.48 0.00 0.00 0.00 0.00 19.45 19.97 1md2 n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1md2 n GLU 11 N 0.05 0.12 -4.33 0.00 1.02 -1.22 -4.88 120.64 111.40 1md2 n GLU 11 Ca 0.00 0.09 -0.29 0.00 -0.02 0.00 0.00 57.16 56.94 1md2 n GLU 11 Cb 0.00 -1.63 -0.12 0.00 -0.02 0.00 0.00 31.44 29.67 1md2 n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1md2 s TYR 12 N -3.05 2.46 0.49 -0.32 1.51 -1.26 -5.13 117.35 112.06 1md2 s TYR 12 Ca 0.12 -0.30 -0.11 0.00 -1.01 0.00 0.00 57.07 55.77 1md2 s TYR 12 Cb 0.16 -1.31 -0.06 0.00 -0.11 0.00 0.00 41.96 40.65 1md2 s TYR 12 CO 0.58 0.38 0.88 -1.01 -1.11 0.00 0.00 175.55 175.28 1md2 s HIS 13 N -1.17 3.52 -1.42 2.71 3.76 -1.26 -4.18 115.29 117.24 1md2 s HIS 13 Ca 0.17 1.16 0.00 0.00 -0.15 0.00 0.00 55.06 56.25 1md2 s HIS 13 Cb -0.10 -2.57 0.00 0.00 1.11 0.00 0.00 32.58 31.02 1md2 s HIS 13 CO 0.09 -0.33 0.00 0.09 -0.85 0.00 0.00 174.74 173.74 1md2 n ASN 14 N -1.85 -4.82 -4.50 1.40 5.03 -1.26 -4.97 115.26 104.28 1md2 n ASN 14 Ca 0.04 0.04 -0.24 0.00 0.87 0.00 0.00 54.58 55.29 1md2 n ASN 14 Cb 0.54 -3.91 -0.10 0.00 -1.02 0.00 0.00 39.78 35.29 1md2 n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1md2 s THR 15 N -2.78 2.58 0.09 3.41 -4.23 -1.26 -0.92 115.64 112.53 1md2 s THR 15 Ca 0.00 -2.31 -0.16 0.00 -1.18 0.00 0.00 61.69 58.03 1md2 s THR 15 Cb 0.00 -2.42 0.03 0.00 1.34 0.00 0.00 72.50 71.45 1md2 s THR 15 CO 0.00 -0.37 0.39 0.00 -0.54 0.00 0.00 174.62 174.10 1md2 s GLN 16 N -3.55 1.00 -0.07 3.99 -2.07 -0.45 -4.91 119.66 113.60 1md2 s GLN 16 Ca 0.31 -0.60 -0.15 0.00 -1.82 0.00 0.00 55.36 53.09 1md2 s GLN 16 Cb -0.04 0.44 -0.05 0.00 -1.09 0.00 0.00 33.01 32.27 1md2 s GLN 16 CO 0.16 -0.37 0.39 0.42 -1.32 0.00 0.00 175.29 174.57 1md2 s ILE 17 N -3.33 5.15 -0.17 3.63 -1.09 -1.26 -1.15 121.20 122.99 1md2 s ILE 17 Ca 0.00 0.78 -0.03 0.00 -2.23 0.00 0.00 60.65 59.17 1md2 s ILE 17 Cb 0.01 -3.71 -0.02 0.00 -1.58 0.00 0.00 42.46 37.15 1md2 s ILE 17 CO -0.09 0.46 -0.04 -1.00 -1.23 0.00 0.00 174.94 173.05 1md2 s HIS 18 N -0.23 2.99 -0.36 3.97 3.76 0.42 -4.98 115.29 120.86 1md2 s HIS 18 Ca 0.22 -0.44 -0.11 0.00 -0.15 0.00 0.00 55.06 54.58 1md2 s HIS 18 Cb -0.15 -1.98 0.02 0.00 1.11 0.00 0.00 32.58 31.57 1md2 s HIS 18 CO 0.10 -0.15 0.20 0.99 -0.85 0.00 0.00 174.74 175.03 1md2 s THR 19 N 0.61 4.66 -0.24 1.30 2.01 -1.26 -0.81 115.64 121.90 1md2 s THR 19 Ca -0.03 -0.71 -0.06 0.00 0.31 0.00 0.00 61.69 61.20 1md2 s THR 19 Cb -0.14 -3.53 -0.13 0.00 0.01 0.00 0.00 72.50 68.71 1md2 s THR 19 CO 0.03 -0.15 -0.27 0.18 -0.69 0.00 0.00 174.62 173.71 1md2 n LEU 20 N 5.01 2.28 -4.00 4.42 4.77 0.05 -5.00 117.00 124.52 1md2 n LEU 20 Ca -0.12 0.12 -0.26 0.00 -0.03 0.00 0.00 56.01 55.71 1md2 n LEU 20 Cb 0.47 -0.76 -0.03 0.00 -2.33 0.00 0.00 43.42 40.77 1md2 n LEU 20 CO 0.36 0.68 -0.27 0.59 -1.33 0.00 0.00 177.39 177.42 1md2 n ASN 21 N -3.70 -0.13 -3.52 -1.43 3.02 0.48 -4.95 115.26 105.04 1md2 n ASN 21 Ca -0.45 -1.05 -0.13 0.00 -0.03 0.00 0.00 54.58 52.92 1md2 n ASN 21 Cb 0.88 -2.84 -0.04 0.00 -0.61 0.00 0.00 39.78 37.18 1md2 n ASN 21 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1md2 s ASP 22 N -4.37 -0.48 0.86 6.41 2.15 -0.64 -4.90 116.67 115.70 1md2 s ASP 22 Ca 0.00 0.07 -0.11 0.00 0.43 0.00 0.00 52.55 52.94 1md2 s ASP 22 Cb -0.00 0.54 0.11 0.00 -0.30 0.00 0.00 42.92 43.26 1md2 s ASP 22 CO 0.90 -0.83 1.09 -1.59 -0.17 0.00 0.00 175.17 174.57 1md2 s LYS 23 N -3.09 1.55 0.16 4.34 -2.85 -1.26 -0.68 119.74 117.91 1md2 s LYS 23 Ca -0.02 0.94 -0.30 0.00 -1.00 0.00 0.00 55.97 55.60 1md2 s LYS 23 Cb -0.00 -1.83 -0.07 0.00 -2.06 0.00 0.00 37.83 33.86 1md2 s LYS 23 CO -0.07 -2.07 1.03 0.42 0.10 0.00 0.00 175.35 174.76 1md2 s ILE 24 N -2.92 4.14 -0.07 3.79 1.01 -1.26 -4.65 121.20 121.25 1md2 s ILE 24 Ca 0.63 1.85 -0.00 0.00 0.00 0.00 0.00 60.65 63.12 1md2 s ILE 24 Cb -0.18 -4.18 -0.26 0.00 0.01 0.00 0.00 42.46 37.86 1md2 s ILE 24 CO 0.57 0.32 0.57 0.15 0.00 0.00 0.00 174.94 176.55 1md2 h PHE 25 N 5.20 0.34 -3.45 3.97 3.57 -1.08 -3.47 116.94 122.01 1md2 h PHE 25 Ca -0.44 -0.25 -0.14 0.00 3.53 0.00 0.00 57.97 60.68 1md2 h PHE 25 Cb 1.21 -0.01 -0.20 0.00 2.79 0.00 0.00 35.95 39.73 1md2 h PHE 25 CO 0.63 1.46 -0.46 -1.54 -2.23 0.00 0.00 178.31 176.17 1md2 s SER 26 N -6.75 -0.00 -0.07 0.41 1.04 -0.96 -4.97 113.70 102.40 1md2 s SER 26 Ca -0.14 -0.18 -0.00 0.00 0.48 0.00 0.00 55.95 56.11 1md2 s SER 26 Cb 0.07 0.22 0.02 0.00 0.10 0.00 0.00 66.02 66.43 1md2 s SER 26 CO 0.81 -0.39 -0.04 -0.47 0.98 0.00 0.00 173.24 174.14 1md2 s TYR 27 N -1.41 0.90 -0.03 5.02 5.04 -1.26 -1.74 117.35 123.86 1md2 s TYR 27 Ca -0.14 -0.31 0.05 0.00 -2.44 0.00 0.00 57.07 54.22 1md2 s TYR 27 Cb -0.07 -0.86 -0.01 0.00 0.35 0.00 0.00 41.96 41.37 1md2 s TYR 27 CO 0.02 -0.32 -0.18 0.99 -1.34 0.00 0.00 175.55 174.72 1md2 s THR 28 N 1.51 1.49 0.01 4.34 2.01 0.18 -5.01 115.64 120.16 1md2 s THR 28 Ca -0.01 -0.77 -0.00 0.00 0.31 0.00 0.00 61.69 61.22 1md2 s THR 28 Cb -0.13 -1.26 -0.01 0.00 0.01 0.00 0.00 72.50 71.11 1md2 s THR 28 CO -0.04 0.42 -0.01 -1.83 -0.69 0.00 0.00 174.62 172.48 1md2 s GLU 29 N -0.14 0.11 0.00 4.92 -1.05 -1.26 -0.68 118.70 120.60 1md2 s GLU 29 Ca 0.00 -0.21 0.06 0.00 -0.15 0.00 0.00 54.97 54.67 1md2 s GLU 29 Cb -0.10 0.04 -0.02 0.00 -0.44 0.00 0.00 34.13 33.61 1md2 s GLU 29 CO 0.01 -0.02 -0.18 0.45 0.95 0.00 0.00 175.26 176.48 1md2 s SER 30 N -0.50 2.07 0.00 0.83 0.15 -0.60 -5.01 113.70 110.64 1md2 s SER 30 Ca -0.06 -0.36 0.11 0.00 0.70 0.00 0.00 55.95 56.35 1md2 s SER 30 Cb -0.03 -0.21 0.26 0.00 -1.71 0.00 0.00 66.02 64.33 1md2 s SER 30 CO -0.00 0.19 1.16 0.00 1.20 0.00 0.00 173.24 175.79 1md2 n LEU 31 N 2.45 2.71 -4.77 3.45 -0.00 -1.26 -3.01 117.00 116.58 1md2 n LEU 31 Ca -0.15 -1.74 -0.39 0.00 -0.00 0.00 0.00 56.01 53.72 1md2 n LEU 31 Cb 0.54 -0.18 -0.00 0.00 -0.00 0.00 0.00 43.42 43.78 1md2 n LEU 31 CO 0.24 0.65 0.96 0.00 -0.00 0.00 0.00 177.39 179.23 1md2 s ALA 32 N -0.99 3.20 0.19 1.47 0.00 -1.26 -4.80 121.76 119.57 1md2 s ALA 32 Ca 0.22 1.23 -0.33 0.00 0.00 0.00 0.00 51.96 53.08 1md2 s ALA 32 Cb 0.12 -3.49 -0.13 0.00 0.00 0.00 0.00 23.12 19.62 1md2 s ALA 32 CO 0.16 -0.88 1.69 0.41 0.00 0.00 0.00 175.76 177.14 1md2 n GLY 33 N 0.64 1.43 3.16 0.00 0.00 -1.26 -0.92 105.19 108.25 1md2 n GLY 33 Ca 0.05 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.70 1md2 n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1md2 n LYS 34 N 3.86 -0.02 -2.59 1.61 4.76 -1.26 -4.83 118.16 119.69 1md2 n LYS 34 Ca 0.16 0.01 -0.09 0.00 -2.87 0.00 0.00 58.31 55.52 1md2 n LYS 34 Cb 0.33 -2.95 0.04 0.00 -1.84 0.00 0.00 35.03 30.61 1md2 n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1md2 n ARG 35 N -2.01 2.20 -2.77 1.97 5.12 -0.10 -4.97 116.66 116.10 1md2 n ARG 35 Ca 0.00 -3.69 -0.43 0.00 -1.93 0.00 0.00 57.85 51.80 1md2 n ARG 35 Cb 0.01 -1.75 -0.03 0.00 -1.16 0.00 0.00 32.46 29.53 1md2 n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1md2 s GLU 36 N -3.62 3.62 0.26 5.56 8.01 -1.16 -4.29 118.70 127.08 1md2 s GLU 36 Ca 0.34 -1.53 -0.08 0.00 0.01 0.00 0.00 54.97 53.71 1md2 s GLU 36 Cb 0.37 -5.12 -0.01 0.00 -4.31 0.00 0.00 34.13 25.06 1md2 s GLU 36 CO -0.02 -1.96 0.40 0.00 0.01 0.00 0.00 175.26 173.69 1md2 s MET 37 N 3.62 1.54 0.09 1.61 0.23 -1.16 -4.17 119.30 121.06 1md2 s MET 37 Ca 0.39 -1.44 0.06 0.00 -1.03 0.00 0.00 55.69 53.67 1md2 s MET 37 Cb -0.03 0.42 -0.03 0.00 -1.53 0.00 0.00 34.83 33.66 1md2 s MET 37 CO -0.09 -0.62 -0.16 0.00 -2.03 0.00 0.00 175.02 172.13 1md2 s ALA 38 N -3.85 1.36 -0.03 3.16 0.00 -1.18 -1.55 121.76 119.67 1md2 s ALA 38 Ca 0.28 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 51.16 1md2 s ALA 38 Cb 0.01 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.01 1md2 s ALA 38 CO 0.12 0.20 -0.09 0.42 0.00 0.00 0.00 175.76 176.41 1md2 s ILE 39 N -1.39 0.80 0.12 0.00 1.01 0.15 -1.06 121.20 120.83 1md2 s ILE 39 Ca 0.02 -0.35 0.09 0.00 0.00 0.00 0.00 60.65 60.40 1md2 s ILE 39 Cb -0.09 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.62 1md2 s ILE 39 CO 0.03 0.26 -0.22 0.27 0.00 0.00 0.00 174.94 175.28 1md2 s ILE 40 N 0.30 1.87 0.15 2.92 -4.36 0.02 -0.65 121.20 121.45 1md2 s ILE 40 Ca -0.05 -1.68 0.06 0.00 -0.26 0.00 0.00 60.65 58.71 1md2 s ILE 40 Cb -0.10 -1.72 -0.04 0.00 1.25 0.00 0.00 42.46 41.85 1md2 s ILE 40 CO 0.01 -0.09 -0.12 0.42 0.24 0.00 0.00 174.94 175.40 1md2 s THR 41 N -1.34 1.35 0.28 8.37 -4.23 -0.71 -1.21 115.64 118.14 1md2 s THR 41 Ca 0.10 -1.97 0.08 0.00 -1.18 0.00 0.00 61.69 58.72 1md2 s THR 41 Cb -0.09 -1.78 -0.04 0.00 1.34 0.00 0.00 72.50 71.94 1md2 s THR 41 CO 0.05 -0.60 0.17 -0.36 -0.54 0.00 0.00 174.62 173.34 1md2 s PHE 42 N -2.83 2.95 0.43 3.99 0.40 -0.46 -0.47 117.98 121.98 1md2 s PHE 42 Ca 0.15 -0.19 0.12 0.00 -0.60 0.00 0.00 56.93 56.41 1md2 s PHE 42 Cb -0.01 -1.45 0.99 0.00 0.51 0.00 0.00 43.02 43.07 1md2 s PHE 42 CO 0.03 0.46 1.99 -0.22 0.70 0.00 0.00 175.22 178.19 1md2 h LYS 43 N 1.53 0.43 0.00 0.44 1.63 -1.90 0.99 116.57 119.70 1md2 h LYS 43 Ca -0.46 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 1md2 h LYS 43 Cb 1.24 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.78 1md2 h LYS 43 CO 0.60 0.28 0.00 0.27 -3.45 0.00 0.00 179.45 177.16 1md2 n ASN 44 N -4.47 0.00 0.00 4.20 0.23 -1.26 -4.87 115.26 109.09 1md2 n ASN 44 Ca 0.09 0.12 0.00 0.00 -0.53 0.00 0.00 54.58 54.25 1md2 n ASN 44 Cb 0.31 -0.30 0.00 0.00 -2.08 0.00 0.00 39.78 37.71 1md2 n ASN 44 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1md2 n GLY 45 N -0.06 2.46 3.71 4.83 0.00 0.34 -5.05 105.19 111.43 1md2 n GLY 45 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1md2 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1md2 n ALA 46 N -1.70 2.14 -2.48 4.61 0.00 -1.26 -4.67 120.51 117.16 1md2 n ALA 46 Ca 0.00 0.40 -0.28 0.00 0.00 0.00 0.00 53.44 53.56 1md2 n ALA 46 Cb 0.00 -2.42 -0.16 0.00 0.00 0.00 0.00 19.45 16.87 1md2 n ALA 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1md2 s THR 47 N 0.35 1.73 0.05 0.00 2.01 -1.26 -1.35 115.64 117.16 1md2 s THR 47 Ca 0.69 -0.92 0.02 0.00 0.31 0.00 0.00 61.69 61.79 1md2 s THR 47 Cb -0.56 -1.44 -0.03 0.00 0.01 0.00 0.00 72.50 70.49 1md2 s THR 47 CO 0.44 0.49 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.41 1md2 s PHE 48 N -0.42 0.73 0.18 4.92 0.08 -0.35 -4.07 117.98 119.05 1md2 s PHE 48 Ca 0.06 -0.53 0.10 0.00 0.12 0.00 0.00 56.93 56.67 1md2 s PHE 48 Cb -0.09 -0.43 -0.04 0.00 -0.57 0.00 0.00 43.02 41.88 1md2 s PHE 48 CO -0.00 -0.08 -0.21 1.14 -0.10 0.00 0.00 175.22 175.97 1md2 s GLN 49 N -1.80 1.39 -0.41 0.44 -2.07 -0.25 -0.80 119.66 116.16 1md2 s GLN 49 Ca -0.07 -1.47 -0.16 0.00 -1.82 0.00 0.00 55.36 51.84 1md2 s GLN 49 Cb -0.09 -1.56 0.02 0.00 -1.09 0.00 0.00 33.01 30.30 1md2 s GLN 49 CO 0.00 0.32 0.35 0.08 -1.32 0.00 0.00 175.29 174.73 1md2 s VAL 50 N -1.91 5.19 0.67 3.63 1.01 -0.22 -0.54 120.40 128.23 1md2 s VAL 50 Ca 0.18 -0.51 -0.17 0.00 0.00 0.00 0.00 61.98 61.48 1md2 s VAL 50 Cb -0.07 -3.96 -0.00 0.00 0.00 0.00 0.00 36.38 32.35 1md2 s VAL 50 CO 0.08 -0.34 1.18 -0.62 0.00 0.00 0.00 175.10 175.41 1md2 n GLU 51 N 5.34 0.88 -1.68 2.72 1.02 -1.26 -3.07 120.64 124.58 1md2 n GLU 51 Ca -0.10 0.36 -0.44 0.00 -0.02 0.00 0.00 57.16 56.96 1md2 n GLU 51 Cb 0.47 -2.42 -0.02 0.00 -0.02 0.00 0.00 31.44 29.45 1md2 n GLU 51 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1md2 n VAL 52 N -2.14 1.30 -1.74 2.62 0.31 -1.26 -4.87 118.33 112.56 1md2 n VAL 52 Ca 0.15 -0.33 -0.42 0.00 -0.01 0.00 0.00 64.34 63.74 1md2 n VAL 52 Cb 0.48 -1.52 -0.02 0.00 -0.91 0.00 0.00 33.84 31.87 1md2 n VAL 52 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1md2 n PRO 53 N 1.55 2.77 -1.19 5.55 -0.02 -1.26 -4.95 135.00 137.45 1md2 n PRO 53 Ca 0.09 0.99 0.00 0.00 -2.02 0.00 0.00 63.50 62.56 1md2 n PRO 53 Cb 0.33 -2.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.01 1md2 n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1md2 n GLY 54 N 2.84 3.05 0.01 -1.23 0.00 -1.26 -5.03 105.19 103.57 1md2 n GLY 54 Ca 0.11 -1.25 0.07 0.00 0.00 0.00 0.00 46.02 44.96 1md2 n GLY 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1md2 n SER 55 N -1.54 0.07 0.03 1.61 3.41 -1.26 -1.60 113.62 114.34 1md2 n SER 55 Ca 0.00 0.52 0.13 0.00 -0.26 0.00 0.00 58.87 59.26 1md2 n SER 55 Cb 0.00 -0.53 0.54 0.00 -0.26 0.00 0.00 64.21 63.96 1md2 n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1md2 n GLN 56 N -1.58 0.08 -3.64 4.33 0.00 -1.26 -4.81 117.38 110.50 1md2 n GLN 56 Ca 0.03 0.08 -0.37 0.00 0.00 0.00 0.00 57.00 56.75 1md2 n GLN 56 Cb 0.17 -1.59 -0.07 0.00 0.00 0.00 0.00 30.24 28.75 1md2 n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1md2 s HIS 57 N -3.04 3.55 0.67 2.61 3.76 -0.63 -5.09 115.29 117.12 1md2 s HIS 57 Ca 0.13 0.63 -0.10 0.00 -0.15 0.00 0.00 55.06 55.57 1md2 s HIS 57 Cb 0.16 -2.20 0.02 0.00 1.11 0.00 0.00 32.58 31.67 1md2 s HIS 57 CO 0.53 0.46 1.03 0.96 -0.85 0.00 0.00 174.74 176.88 1md2 s ILE 58 N -0.26 3.47 0.27 0.60 -4.36 -1.26 -4.90 121.20 114.76 1md2 s ILE 58 Ca 0.17 0.29 -0.02 0.00 -0.26 0.00 0.00 60.65 60.82 1md2 s ILE 58 Cb -0.13 -3.44 0.27 0.00 1.25 0.00 0.00 42.46 40.41 1md2 s ILE 58 CO 0.05 -0.54 1.90 -0.78 0.24 0.00 0.00 174.94 175.81 1md2 h ASP 59 N -0.51 1.02 0.55 4.36 3.58 -1.98 -0.61 116.42 122.84 1md2 h ASP 59 Ca -0.45 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.00 1md2 h ASP 59 Cb 1.26 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 42.09 1md2 h ASP 59 CO 0.63 0.67 -0.01 0.77 -2.88 0.00 0.00 179.24 178.42 1md2 h SER 60 N 1.17 0.00 1.65 2.28 4.64 -2.04 -1.33 113.55 119.92 1md2 h SER 60 Ca 0.41 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.72 1md2 h SER 60 Cb 0.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1md2 h SER 60 CO -0.15 0.01 -0.07 1.56 -0.87 0.00 0.00 176.83 177.31 1md2 h GLN 61 N 0.00 0.00 -0.46 4.77 4.20 -1.48 -3.34 115.11 118.79 1md2 h GLN 61 Ca -0.00 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.74 1md2 h GLN 61 Cb 0.29 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.03 1md2 h GLN 61 CO 0.00 0.07 0.25 0.87 -0.67 0.00 0.00 178.83 179.34 1md2 h LYS 62 N 0.00 0.47 -0.53 1.46 1.79 -1.26 0.37 116.57 118.86 1md2 h LYS 62 Ca -0.00 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.40 1md2 h LYS 62 Cb 0.91 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 31.43 1md2 h LYS 62 CO 0.01 0.31 0.15 0.87 -1.08 0.00 0.00 179.45 179.71 1md2 h LYS 63 N 0.49 0.80 -0.07 3.15 1.57 -1.75 -2.74 116.57 118.02 1md2 h LYS 63 Ca 0.20 -0.15 -0.16 0.00 -1.87 0.00 0.00 60.65 58.67 1md2 h LYS 63 Cb 0.08 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1md2 h LYS 63 CO -0.12 0.71 -0.66 0.00 -0.57 0.00 0.00 179.45 178.80 1md2 h ALA 64 N 1.39 0.75 -0.50 3.86 0.00 -1.50 -1.24 119.26 122.01 1md2 h ALA 64 Ca 0.18 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1md2 h ALA 64 Cb 0.25 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1md2 h ALA 64 CO -0.01 0.76 0.30 0.82 0.00 0.00 0.00 179.25 181.13 1md2 h ILE 65 N 0.20 1.15 -0.65 0.00 2.04 -0.72 0.21 117.51 119.73 1md2 h ILE 65 Ca -0.02 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 1md2 h ILE 65 Cb 1.20 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 1md2 h ILE 65 CO 0.11 0.16 0.35 -0.33 0.00 0.00 0.00 178.15 178.43 1md2 h GLU 66 N 0.67 0.92 -0.65 2.37 4.39 -1.23 -2.25 114.58 118.80 1md2 h GLU 66 Ca 0.18 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 1md2 h GLU 66 Cb -0.01 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.43 1md2 h GLU 66 CO -0.03 0.70 0.35 -0.09 -1.16 0.00 0.00 179.01 178.78 1md2 h ARG 67 N 0.90 0.92 -0.57 2.33 2.43 -0.98 -2.14 114.38 117.28 1md2 h ARG 67 Ca 0.23 -0.12 0.03 0.00 -0.81 0.00 0.00 59.98 59.32 1md2 h ARG 67 Cb 0.06 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.39 1md2 h ARG 67 CO -0.04 0.71 0.33 1.98 -1.51 0.00 0.00 179.97 181.44 1md2 h MET 68 N 0.90 0.63 -0.62 0.20 4.05 -0.64 0.10 114.93 119.55 1md2 h MET 68 Ca 0.23 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.58 1md2 h MET 68 Cb 0.06 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 30.69 1md2 h MET 68 CO -0.03 0.42 0.26 0.87 0.23 0.00 0.00 176.91 178.65 1md2 h LYS 69 N 0.65 0.90 -0.39 0.39 1.57 -1.14 0.30 116.57 118.85 1md2 h LYS 69 Ca 0.24 -0.14 0.03 0.00 -1.87 0.00 0.00 60.65 58.90 1md2 h LYS 69 Cb 0.06 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 1md2 h LYS 69 CO -0.12 0.73 0.20 -0.44 -0.57 0.00 0.00 179.45 179.26 1md2 h ASP 70 N 0.89 0.31 -0.12 0.86 3.32 -0.67 -1.83 116.42 119.18 1md2 h ASP 70 Ca 0.21 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1md2 h ASP 70 Cb 0.16 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1md2 h ASP 70 CO -0.02 0.22 0.07 0.74 -1.72 0.00 0.00 179.24 178.53 1md2 h THR 71 N 0.41 1.02 -0.44 0.35 2.02 -0.31 -1.83 112.91 114.13 1md2 h THR 71 Ca 0.16 -0.05 -0.08 0.00 0.77 0.00 0.00 66.41 67.21 1md2 h THR 71 Cb 0.06 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 1md2 h THR 71 CO -0.10 0.03 -0.05 -0.07 0.37 0.00 0.00 175.52 175.69 1md2 h LEU 72 N 0.15 0.73 -0.38 2.58 3.38 -0.82 0.60 115.31 121.55 1md2 h LEU 72 Ca 0.05 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 1md2 h LEU 72 Cb -0.01 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1md2 h LEU 72 CO -0.02 0.84 0.06 -0.09 0.09 0.00 0.00 178.44 179.31 1md2 h ARG 73 N 0.70 0.64 -0.24 1.13 2.43 -1.11 -0.05 114.38 117.88 1md2 h ARG 73 Ca 0.13 -0.17 -0.15 0.00 -0.81 0.00 0.00 59.98 58.97 1md2 h ARG 73 Cb 0.51 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1md2 h ARG 73 CO 0.03 0.70 -0.48 0.97 -1.51 0.00 0.00 179.97 179.68 1md2 h ILE 74 N 0.48 1.30 -0.37 1.20 6.09 -1.23 -0.27 117.51 124.71 1md2 h ILE 74 Ca 0.12 -1.69 0.03 0.00 -1.37 0.00 0.00 64.86 61.95 1md2 h ILE 74 Cb 0.38 1.63 -0.03 0.00 0.47 0.00 0.00 36.82 39.27 1md2 h ILE 74 CO 0.01 0.53 0.19 0.00 -3.07 0.00 0.00 178.15 175.81 1md2 h ALA 75 N 0.95 0.45 -0.10 0.18 0.00 -0.79 -0.77 119.26 119.19 1md2 h ALA 75 Ca 0.03 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1md2 h ALA 75 Cb 1.02 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1md2 h ALA 75 CO 0.10 -0.18 -0.06 -0.92 0.00 0.00 0.00 179.25 178.19 1md2 h TYR 76 N 0.38 -0.13 -0.13 0.00 3.20 -0.66 -1.40 116.97 118.24 1md2 h TYR 76 Ca 0.15 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.99 1md2 h TYR 76 Cb 0.06 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 1md2 h TYR 76 CO -0.10 -0.09 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.11 1md2 h LEU 77 N -0.06 0.19 -1.30 2.82 3.38 -0.74 -2.61 115.31 117.00 1md2 h LEU 77 Ca 0.06 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1md2 h LEU 77 Cb 0.14 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1md2 h LEU 77 CO -0.13 0.37 0.00 0.35 0.09 0.00 0.00 178.44 179.11 1md2 n THR 78 N -4.27 0.06 -2.86 0.22 -2.24 -0.32 -4.95 114.28 99.92 1md2 n THR 78 Ca -0.01 -0.35 -0.21 0.00 -2.27 0.00 0.00 64.05 61.21 1md2 n THR 78 Cb 0.27 0.76 0.01 0.00 -2.10 0.00 0.00 70.33 69.28 1md2 n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1md2 n GLU 79 N 0.57 -3.64 -2.08 -0.78 1.02 -0.62 -4.93 120.64 110.17 1md2 n GLU 79 Ca 0.17 0.85 -0.41 0.00 -0.02 0.00 0.00 57.16 57.75 1md2 n GLU 79 Cb 0.43 -5.62 -0.02 0.00 -0.02 0.00 0.00 31.44 26.21 1md2 n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1md2 s ALA 80 N -3.06 3.55 -0.02 0.62 0.00 -0.65 -4.73 121.76 117.47 1md2 s ALA 80 Ca 0.21 1.27 -0.30 0.00 0.00 0.00 0.00 51.96 53.14 1md2 s ALA 80 Cb -0.10 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 1md2 s ALA 80 CO 0.26 -0.68 1.21 0.21 0.00 0.00 0.00 175.76 176.76 1md2 s LYS 81 N -1.05 4.37 -0.15 0.00 2.20 -1.26 -4.24 119.74 119.62 1md2 s LYS 81 Ca 0.54 1.71 -0.25 0.00 -0.36 0.00 0.00 55.97 57.61 1md2 s LYS 81 Cb -0.40 -3.51 -0.02 0.00 -1.51 0.00 0.00 37.83 32.39 1md2 s LYS 81 CO 0.48 -0.40 0.81 0.08 -0.36 0.00 0.00 175.35 175.95 1md2 s VAL 82 N 1.93 4.92 -0.03 4.02 1.01 0.14 -3.04 120.40 129.34 1md2 s VAL 82 Ca 0.57 1.60 -0.01 0.00 0.00 0.00 0.00 61.98 64.14 1md2 s VAL 82 Cb -0.26 -4.12 -0.00 0.00 0.00 0.00 0.00 36.38 32.00 1md2 s VAL 82 CO 0.24 0.07 -0.01 -0.08 0.00 0.00 0.00 175.10 175.32 1md2 h GLU 83 N 7.22 0.00 -4.87 2.72 4.81 -0.85 0.16 114.58 123.78 1md2 h GLU 83 Ca -0.32 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.63 1md2 h GLU 83 Cb 1.15 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.38 1md2 h GLU 83 CO 0.81 0.00 -0.71 0.15 -0.73 0.00 0.00 179.01 178.54 1md2 s LYS 84 N -1.19 0.93 -0.05 1.92 1.02 -1.10 -0.77 119.74 120.51 1md2 s LYS 84 Ca -0.01 -1.35 0.05 0.00 0.02 0.00 0.00 55.97 54.68 1md2 s LYS 84 Cb 0.00 -0.43 -0.01 0.00 -0.52 0.00 0.00 37.83 36.88 1md2 s LYS 84 CO 0.01 0.04 -0.20 -0.51 -0.92 0.00 0.00 175.35 173.77 1md2 s LEU 85 N -2.99 1.98 -0.20 3.17 1.43 0.01 -0.76 118.68 121.32 1md2 s LEU 85 Ca 0.13 -0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 52.70 1md2 s LEU 85 Cb 0.03 -1.12 -0.05 0.00 0.03 0.00 0.00 46.19 45.08 1md2 s LEU 85 CO -0.02 0.19 0.22 0.00 0.23 0.00 0.00 176.35 176.98 1md2 s VAL 87 N 0.70 0.87 -0.15 0.00 -7.23 -0.30 -0.17 120.40 114.12 1md2 s VAL 87 Ca 0.12 -1.59 -0.21 0.00 -1.81 0.00 0.00 61.98 58.49 1md2 s VAL 87 Cb -0.13 -1.29 -0.03 0.00 0.56 0.00 0.00 36.38 35.49 1md2 s VAL 87 CO 0.03 -0.56 0.60 0.26 -0.31 0.00 0.00 175.10 175.12 1md2 s TRP 88 N -2.40 3.45 -1.40 2.82 0.51 0.98 -1.35 118.94 121.55 1md2 s TRP 88 Ca 0.04 0.98 0.18 0.00 -2.12 0.00 0.00 56.10 55.19 1md2 s TRP 88 Cb -0.03 -2.74 0.66 0.00 -0.81 0.00 0.00 33.47 30.56 1md2 s TRP 88 CO -0.00 -0.03 1.56 0.27 -0.51 0.00 0.00 176.95 178.24 1md2 n ASN 89 N 4.43 4.30 -1.07 2.95 0.23 -0.10 -1.81 115.26 124.18 1md2 n ASN 89 Ca -0.03 -2.30 0.09 0.00 -0.53 0.00 0.00 54.58 51.81 1md2 n ASN 89 Cb 0.51 -0.54 0.26 0.00 -2.08 0.00 0.00 39.78 37.92 1md2 n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1md2 n ASN 90 N 1.19 3.10 -4.30 0.53 6.94 -1.26 -4.89 115.26 116.58 1md2 n ASN 90 Ca 0.24 -2.01 -0.21 0.00 -0.02 0.00 0.00 54.58 52.58 1md2 n ASN 90 Cb 0.78 -0.39 -0.11 0.00 -2.36 0.00 0.00 39.78 37.70 1md2 n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1md2 s LYS 91 N -1.24 1.19 -0.08 -3.83 -0.14 -1.25 -5.10 119.74 109.27 1md2 s LYS 91 Ca 0.39 -1.33 0.00 0.00 -1.36 0.00 0.00 55.97 53.67 1md2 s LYS 91 Cb 0.20 -1.21 0.02 0.00 -1.68 0.00 0.00 37.83 35.16 1md2 s LYS 91 CO 0.26 0.25 -0.07 0.99 -0.76 0.00 0.00 175.35 176.02 1md2 s THR 92 N -1.99 0.86 0.88 2.17 2.01 -1.26 -2.76 115.64 115.55 1md2 s THR 92 Ca 0.13 -0.24 -0.11 0.00 0.31 0.00 0.00 61.69 61.77 1md2 s THR 92 Cb -0.06 -0.88 0.12 0.00 0.01 0.00 0.00 72.50 71.70 1md2 s THR 92 CO 0.05 0.32 1.12 -2.65 -0.69 0.00 0.00 174.62 172.77 1md2 n PRO 93 N 4.54 -0.24 -1.66 4.92 -0.02 -1.26 -5.05 135.00 136.23 1md2 n PRO 93 Ca -0.16 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.88 1md2 n PRO 93 Cb 0.51 -2.36 -0.01 0.00 -0.02 0.00 0.00 33.50 31.61 1md2 n PRO 93 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1md2 n HIS 94 N -3.90 1.89 -3.57 6.00 8.25 -1.11 -4.48 115.22 118.29 1md2 n HIS 94 Ca 0.12 0.61 -0.37 0.00 -0.26 0.00 0.00 57.72 57.83 1md2 n HIS 94 Cb 0.52 -2.35 -0.08 0.00 1.12 0.00 0.00 29.99 29.19 1md2 n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1md2 s ALA 95 N -1.06 3.60 0.06 -1.41 0.00 -0.75 -1.09 121.76 121.11 1md2 s ALA 95 Ca 0.57 -0.68 -0.31 0.00 0.00 0.00 0.00 51.96 51.54 1md2 s ALA 95 Cb -0.62 -2.40 -0.06 0.00 0.00 0.00 0.00 23.12 20.04 1md2 s ALA 95 CO 0.61 -0.11 1.31 0.42 0.00 0.00 0.00 175.76 177.99 1md2 s ILE 96 N 0.91 3.70 -0.16 0.00 1.01 0.30 -0.01 121.20 126.94 1md2 s ILE 96 Ca 0.12 1.19 0.07 0.00 0.00 0.00 0.00 60.65 62.03 1md2 s ILE 96 Cb -0.13 -3.76 -0.14 0.00 0.01 0.00 0.00 42.46 38.43 1md2 s ILE 96 CO 0.04 0.07 -0.06 0.00 0.00 0.00 0.00 174.94 174.99 1md2 n ALA 97 N 4.31 1.64 -3.30 9.38 0.00 0.76 -4.84 120.51 128.46 1md2 n ALA 97 Ca 0.11 -0.84 -0.12 0.00 0.00 0.00 0.00 53.44 52.59 1md2 n ALA 97 Cb 0.44 0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 1md2 n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1md2 s ALA 98 N -2.35 -1.39 0.02 0.00 0.00 -0.85 -4.97 121.76 112.23 1md2 s ALA 98 Ca -0.16 0.38 0.03 0.00 0.00 0.00 0.00 51.96 52.21 1md2 s ALA 98 Cb 0.05 0.75 -0.01 0.00 0.00 0.00 0.00 23.12 23.90 1md2 s ALA 98 CO 0.49 -0.69 -0.08 -1.50 0.00 0.00 0.00 175.76 173.97 1md2 s ILE 99 N -3.53 0.64 -0.01 0.00 2.07 -1.26 -0.95 121.20 118.17 1md2 s ILE 99 Ca 0.00 -0.69 0.06 0.00 -1.41 0.00 0.00 60.65 58.62 1md2 s ILE 99 Cb -0.00 -0.60 -0.02 0.00 0.13 0.00 0.00 42.46 41.97 1md2 s ILE 99 CO -0.11 -0.06 -0.20 -0.94 -1.91 0.00 0.00 174.94 171.73 1md2 s SER 100 N -0.82 2.31 -0.09 4.50 1.04 0.07 -4.99 113.70 115.70 1md2 s SER 100 Ca -0.02 -0.37 0.04 0.00 0.48 0.00 0.00 55.95 56.08 1md2 s SER 100 Cb -0.06 -0.25 -0.00 0.00 0.10 0.00 0.00 66.02 65.81 1md2 s SER 100 CO 0.00 0.23 -0.24 -0.04 0.98 0.00 0.00 173.24 174.17 1md2 s MET 101 N -0.54 2.96 -0.13 4.02 -1.94 -1.26 -0.25 119.30 122.15 1md2 s MET 101 Ca 0.07 -0.88 -0.29 0.00 -1.71 0.00 0.00 55.69 52.88 1md2 s MET 101 Cb -0.08 -2.28 0.07 0.00 2.01 0.00 0.00 34.83 34.56 1md2 s MET 101 CO -0.00 0.21 0.70 0.00 -0.01 0.00 0.00 175.02 175.92 1md2 s ALA 102 N 0.25 -1.78 -2.14 3.03 0.00 -1.17 -4.85 121.76 115.11 1md2 s ALA 102 Ca -0.16 1.59 0.31 0.00 0.00 0.00 0.00 51.96 53.69 1md2 s ALA 102 Cb -0.17 -0.45 1.67 0.00 0.00 0.00 0.00 23.12 24.16 1md2 s ALA 102 CO 0.08 -0.36 2.09 -1.71 0.00 0.00 0.00 175.76 175.87