#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 0.50 0.00 -2.82 -0.04 -1.26 -4.92 135.00 126.46 1md2 n PRO 2 Ca 0.00 0.24 0.08 0.00 -0.04 0.00 0.00 63.50 63.78 1md2 n PRO 2 Cb 0.00 -2.38 0.07 0.00 -0.04 0.00 0.00 33.50 31.15 1md2 n PRO 2 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1md2 n GLN 3 N -2.47 1.35 -3.82 0.54 6.02 -1.26 -4.97 117.38 112.76 1md2 n GLN 3 Ca 0.14 -1.46 -0.06 0.00 -0.01 0.00 0.00 57.00 55.60 1md2 n GLN 3 Cb 0.50 -1.32 -0.02 0.00 1.02 0.00 0.00 30.24 30.42 1md2 n GLN 3 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1md2 s ASN 4 N -1.42 -0.24 0.34 1.08 2.20 -1.26 -5.06 114.94 110.58 1md2 s ASN 4 Ca 0.19 -0.54 0.09 0.00 -0.94 0.00 0.00 52.86 51.66 1md2 s ASN 4 Cb 0.14 0.66 0.63 0.00 -2.00 0.00 0.00 41.25 40.67 1md2 s ASN 4 CO 0.22 -1.21 1.81 -0.29 -2.94 0.00 0.00 177.10 174.69 1md2 h ILE 5 N 2.00 1.25 -0.35 0.54 2.10 -1.96 -1.72 117.51 119.38 1md2 h ILE 5 Ca -0.21 -1.18 -0.05 0.00 1.08 0.00 0.00 64.86 64.50 1md2 h ILE 5 Cb 1.25 1.48 -0.01 0.00 -1.09 0.00 0.00 36.82 38.45 1md2 h ILE 5 CO 0.24 0.35 0.02 0.74 -1.08 0.00 0.00 178.15 178.42 1md2 h THR 6 N 0.19 1.25 -0.42 2.19 2.02 -2.00 -2.87 112.91 113.27 1md2 h THR 6 Ca 0.03 -0.93 -0.11 0.00 0.77 0.00 0.00 66.41 66.17 1md2 h THR 6 Cb 0.61 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 1md2 h THR 6 CO 0.04 0.31 -0.17 0.44 0.37 0.00 0.00 175.52 176.51 1md2 h ASP 7 N 0.42 0.81 0.00 4.18 3.32 -1.94 -1.95 116.42 121.25 1md2 h ASP 7 Ca 0.10 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1md2 h ASP 7 Cb 0.42 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1md2 h ASP 7 CO 0.01 0.98 0.00 -0.11 -1.72 0.00 0.00 179.24 178.40 1md2 n LEU 8 N -4.13 0.87 0.00 1.55 0.00 -0.66 -3.50 117.00 111.12 1md2 n LEU 8 Ca 0.01 -0.44 0.00 0.00 0.00 0.00 0.00 56.01 55.58 1md2 n LEU 8 Cb 0.41 -0.16 0.00 0.00 0.00 0.00 0.00 43.42 43.67 1md2 n LEU 8 CO 0.44 0.15 0.00 0.00 0.00 0.00 0.00 177.39 177.98 1md2 n ALA 10 N 0.78 0.00 1.02 1.96 0.00 -0.74 -4.20 120.51 119.33 1md2 n ALA 10 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1md2 n ALA 10 Cb 0.15 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.17 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 0.00 0.23 -4.58 0.00 1.02 -1.23 -4.85 120.64 111.22 1md2 n GLU 11 Ca 0.00 0.07 -0.30 0.00 -0.02 0.00 0.00 57.16 56.92 1md2 n GLU 11 Cb 0.00 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.79 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 -2.72 2.42 0.55 -0.32 2.02 -1.26 -5.13 117.35 112.92 1md2 s TYR 12 Ca 0.19 -0.33 -0.16 0.00 -0.37 0.00 0.00 57.07 56.40 1md2 s TYR 12 Cb 0.16 -1.36 -0.06 0.00 -0.40 0.00 0.00 41.96 40.29 1md2 s TYR 12 CO 0.38 0.27 1.01 -1.58 -1.57 0.00 0.00 175.55 174.06 1md2 s HIS 13 N -0.97 3.31 -1.47 2.71 5.04 -1.26 -4.03 115.29 118.62 1md2 s HIS 13 Ca 0.14 1.47 -0.12 0.00 -1.54 0.00 0.00 55.06 55.02 1md2 s HIS 13 Cb -0.10 -2.86 0.06 0.00 0.04 0.00 0.00 32.58 29.72 1md2 s HIS 13 CO 0.06 -0.63 1.04 0.09 -2.34 0.00 0.00 174.74 172.96 1md2 n ASN 14 N -1.79 -5.17 -4.49 9.88 3.02 -1.26 -4.94 115.26 110.50 1md2 n ASN 14 Ca 0.07 -0.70 -0.24 0.00 -0.03 0.00 0.00 54.58 53.68 1md2 n ASN 14 Cb 0.54 -4.28 -0.10 0.00 -0.61 0.00 0.00 39.78 35.32 1md2 n ASN 14 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1md2 s THR 15 N -3.32 2.21 0.12 3.41 -4.23 -1.26 -1.02 115.64 111.55 1md2 s THR 15 Ca 0.61 -2.26 -0.18 0.00 -1.18 0.00 0.00 61.69 58.68 1md2 s THR 15 Cb -0.29 -2.47 0.04 0.00 1.34 0.00 0.00 72.50 71.12 1md2 s THR 15 CO 0.80 -0.30 0.44 0.00 -0.54 0.00 0.00 174.62 175.01 1md2 s GLN 16 N -3.60 1.09 -0.06 3.99 -2.07 -0.45 -4.87 119.66 113.69 1md2 s GLN 16 Ca 0.31 -0.60 -0.16 0.00 -1.82 0.00 0.00 55.36 53.09 1md2 s GLN 16 Cb -0.00 0.48 -0.05 0.00 -1.09 0.00 0.00 33.01 32.35 1md2 s GLN 16 CO 0.15 -0.43 0.43 0.42 -1.32 0.00 0.00 175.29 174.54 1md2 s ILE 17 N -3.56 5.11 -0.11 3.63 -1.09 -1.26 -1.07 121.20 122.84 1md2 s ILE 17 Ca 0.01 0.86 -0.02 0.00 -2.23 0.00 0.00 60.65 59.28 1md2 s ILE 17 Cb 0.01 -3.75 -0.03 0.00 -1.58 0.00 0.00 42.46 37.11 1md2 s ILE 17 CO -0.10 0.46 -0.04 -1.00 -1.23 0.00 0.00 174.94 173.02 1md2 s HIS 18 N -0.28 3.01 -0.30 3.97 3.76 -0.22 -4.99 115.29 120.25 1md2 s HIS 18 Ca 0.24 -0.10 -0.09 0.00 -0.15 0.00 0.00 55.06 54.96 1md2 s HIS 18 Cb -0.16 -1.83 -0.00 0.00 1.11 0.00 0.00 32.58 31.69 1md2 s HIS 18 CO 0.11 0.18 0.12 0.99 -0.85 0.00 0.00 174.74 175.30 1md2 s THR 19 N -0.29 4.37 -0.26 1.30 2.01 -1.26 -0.96 115.64 120.55 1md2 s THR 19 Ca 0.05 -0.49 -0.15 0.00 0.31 0.00 0.00 61.69 61.41 1md2 s THR 19 Cb -0.13 -3.22 -0.14 0.00 0.01 0.00 0.00 72.50 69.02 1md2 s THR 19 CO 0.02 0.09 -0.22 0.18 -0.69 0.00 0.00 174.62 174.01 1md2 n LEU 20 N 4.94 2.00 -4.02 4.42 7.99 0.72 -5.01 117.00 128.04 1md2 n LEU 20 Ca -0.14 0.33 -0.27 0.00 -0.01 0.00 0.00 56.01 55.92 1md2 n LEU 20 Cb 0.49 -0.86 -0.03 0.00 -0.11 0.00 0.00 43.42 42.91 1md2 n LEU 20 CO 0.33 0.54 -0.26 0.59 -1.51 0.00 0.00 177.39 177.07 1md2 n ASN 21 N -4.23 -0.25 -3.52 -1.43 3.02 0.60 -4.95 115.26 104.49 1md2 n ASN 21 Ca -0.49 -1.05 -0.13 0.00 -0.03 0.00 0.00 54.58 52.88 1md2 n ASN 21 Cb 0.85 -2.82 -0.04 0.00 -0.61 0.00 0.00 39.78 37.16 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 -4.32 -0.46 0.78 6.41 2.15 -0.67 -4.90 116.67 115.65 1md2 s ASP 22 Ca 0.04 0.03 -0.11 0.00 0.43 0.00 0.00 52.55 52.94 1md2 s ASP 22 Cb -0.02 0.54 0.06 0.00 -0.30 0.00 0.00 42.92 43.19 1md2 s ASP 22 CO 0.91 -0.85 1.09 -1.59 -0.17 0.00 0.00 175.17 174.56 1md2 s LYS 23 N -3.20 2.25 0.16 4.34 -2.85 -1.26 -0.64 119.74 118.54 1md2 s LYS 23 Ca -0.01 0.80 -0.30 0.00 -1.00 0.00 0.00 55.97 55.45 1md2 s LYS 23 Cb -0.00 -1.92 -0.07 0.00 -2.06 0.00 0.00 37.83 33.77 1md2 s LYS 23 CO -0.08 -1.54 1.16 0.42 0.10 0.00 0.00 175.35 175.41 1md2 s ILE 24 N -3.08 3.78 -0.07 3.79 1.01 -1.26 -4.68 121.20 120.69 1md2 s ILE 24 Ca 0.60 1.45 -0.17 0.00 0.00 0.00 0.00 60.65 62.53 1md2 s ILE 24 Cb -0.15 -3.93 -0.30 0.00 0.01 0.00 0.00 42.46 38.09 1md2 s ILE 24 CO 0.55 0.21 0.72 0.15 0.00 0.00 0.00 174.94 176.57 1md2 h PHE 25 N 5.53 0.55 -3.92 3.97 3.57 -0.89 -3.48 116.94 122.28 1md2 h PHE 25 Ca -0.44 -0.40 -0.14 0.00 3.53 0.00 0.00 57.97 60.52 1md2 h PHE 25 Cb 1.21 -0.02 -0.18 0.00 2.79 0.00 0.00 35.95 39.75 1md2 h PHE 25 CO 0.63 1.48 -0.61 -1.54 -2.23 0.00 0.00 178.31 176.05 1md2 s SER 26 N -7.09 0.24 -0.08 0.41 1.04 -0.91 -4.96 113.70 102.35 1md2 s SER 26 Ca -0.16 -0.58 -0.00 0.00 0.48 0.00 0.00 55.95 55.68 1md2 s SER 26 Cb 0.03 0.18 0.02 0.00 0.10 0.00 0.00 66.02 66.36 1md2 s SER 26 CO 0.81 -0.45 -0.05 -0.47 0.98 0.00 0.00 173.24 174.07 1md2 s TYR 27 N -2.39 1.04 -0.03 5.02 5.04 -1.26 -1.61 117.35 123.16 1md2 s TYR 27 Ca -0.07 -0.41 0.06 0.00 -2.44 0.00 0.00 57.07 54.21 1md2 s TYR 27 Cb -0.03 -0.95 -0.01 0.00 0.35 0.00 0.00 41.96 41.32 1md2 s TYR 27 CO -0.04 -0.36 -0.20 0.99 -1.34 0.00 0.00 175.55 174.59 1md2 s THR 28 N 1.56 1.62 0.02 4.34 2.01 0.36 -5.00 115.64 120.55 1md2 s THR 28 Ca 0.00 -0.86 -0.04 0.00 0.31 0.00 0.00 61.69 61.11 1md2 s THR 28 Cb -0.13 -1.36 -0.01 0.00 0.01 0.00 0.00 72.50 71.01 1md2 s THR 28 CO -0.05 0.46 0.05 -1.83 -0.69 0.00 0.00 174.62 172.57 1md2 s GLU 29 N -0.32 0.44 0.02 4.92 -1.05 -1.26 -0.85 118.70 120.58 1md2 s GLU 29 Ca 0.04 -0.58 0.04 0.00 -0.15 0.00 0.00 54.97 54.31 1md2 s GLU 29 Cb -0.09 0.17 -0.01 0.00 -0.44 0.00 0.00 34.13 33.75 1md2 s GLU 29 CO 0.00 -0.09 -0.11 0.45 0.95 0.00 0.00 175.26 176.46 1md2 s SER 30 N -1.61 1.33 0.00 0.83 0.15 -0.78 -5.01 113.70 108.61 1md2 s SER 30 Ca -0.13 -0.32 0.10 0.00 0.70 0.00 0.00 55.95 56.30 1md2 s SER 30 Cb -0.07 -0.10 0.21 0.00 -1.71 0.00 0.00 66.02 64.35 1md2 s SER 30 CO -0.01 0.06 1.09 0.00 1.20 0.00 0.00 173.24 175.58 1md2 n LEU 31 N 2.33 2.51 -4.77 3.45 -0.00 -1.26 -3.20 117.00 116.07 1md2 n LEU 31 Ca -0.16 -1.66 -0.40 0.00 -0.00 0.00 0.00 56.01 53.79 1md2 n LEU 31 Cb 0.56 -0.14 -0.02 0.00 -0.00 0.00 0.00 43.42 43.82 1md2 n LEU 31 CO 0.24 0.59 0.92 0.00 -0.00 0.00 0.00 177.39 179.14 1md2 s ALA 32 N -0.95 3.36 0.12 1.47 0.00 -1.26 -4.83 121.76 119.68 1md2 s ALA 32 Ca 0.18 1.14 -0.33 0.00 0.00 0.00 0.00 51.96 52.95 1md2 s ALA 32 Cb 0.10 -3.44 -0.13 0.00 0.00 0.00 0.00 23.12 19.66 1md2 s ALA 32 CO 0.14 -0.59 1.70 0.41 0.00 0.00 0.00 175.76 177.42 1md2 n GLY 33 N 0.79 1.34 2.68 0.00 0.00 -1.26 -0.78 105.19 107.97 1md2 n GLY 33 Ca 0.01 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.73 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 4.43 -0.21 -2.64 1.61 4.76 -1.26 -4.82 118.16 120.03 1md2 n LYS 34 Ca 0.18 0.05 -0.07 0.00 -2.87 0.00 0.00 58.31 55.60 1md2 n LYS 34 Cb 0.31 -3.16 0.04 0.00 -1.84 0.00 0.00 35.03 30.38 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 -2.10 2.07 -2.69 1.97 5.12 0.04 -4.96 116.66 116.11 1md2 n ARG 35 Ca 0.00 -3.64 -0.42 0.00 -1.93 0.00 0.00 57.85 51.86 1md2 n ARG 35 Cb 0.05 -1.70 -0.02 0.00 -1.16 0.00 0.00 32.46 29.63 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 -3.64 3.72 0.24 5.56 8.01 -1.17 -4.32 118.70 127.11 1md2 s GLU 36 Ca 0.33 -1.60 -0.09 0.00 0.01 0.00 0.00 54.97 53.61 1md2 s GLU 36 Cb 0.37 -5.26 -0.01 0.00 -4.31 0.00 0.00 34.13 24.91 1md2 s GLU 36 CO -0.02 -2.07 0.40 0.00 0.01 0.00 0.00 175.26 173.57 1md2 s MET 37 N 3.95 1.49 0.07 1.61 0.23 -1.19 -4.24 119.30 121.21 1md2 s MET 37 Ca 0.44 -1.38 0.06 0.00 -1.03 0.00 0.00 55.69 53.79 1md2 s MET 37 Cb -0.01 0.42 -0.03 0.00 -1.53 0.00 0.00 34.83 33.69 1md2 s MET 37 CO -0.05 -0.59 -0.17 0.00 -2.03 0.00 0.00 175.02 172.17 1md2 s ALA 38 N -3.99 1.46 -0.02 3.16 0.00 -1.18 -1.87 121.76 119.32 1md2 s ALA 38 Ca 0.27 -1.04 0.03 0.00 0.00 0.00 0.00 51.96 51.21 1md2 s ALA 38 Cb 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.93 1md2 s ALA 38 CO 0.10 0.28 -0.09 0.42 0.00 0.00 0.00 175.76 176.47 1md2 s ILE 39 N -1.06 0.81 0.13 0.00 1.01 -0.03 -0.92 121.20 121.13 1md2 s ILE 39 Ca 0.03 -0.38 0.08 0.00 0.00 0.00 0.00 60.65 60.37 1md2 s ILE 39 Cb -0.09 -0.71 -0.04 0.00 0.01 0.00 0.00 42.46 41.63 1md2 s ILE 39 CO 0.03 0.25 -0.18 0.27 0.00 0.00 0.00 174.94 175.30 1md2 s ILE 40 N 0.12 1.63 0.19 2.92 -4.36 0.34 -0.48 121.20 121.56 1md2 s ILE 40 Ca -0.02 -1.70 0.04 0.00 -0.26 0.00 0.00 60.65 58.71 1md2 s ILE 40 Cb -0.08 -1.62 -0.05 0.00 1.25 0.00 0.00 42.46 41.96 1md2 s ILE 40 CO 0.00 -0.24 -0.05 0.42 0.24 0.00 0.00 174.94 175.32 1md2 s THR 41 N -1.70 1.06 0.34 8.37 -4.23 -0.63 -0.74 115.64 118.11 1md2 s THR 41 Ca 0.10 -2.04 0.09 0.00 -1.18 0.00 0.00 61.69 58.66 1md2 s THR 41 Cb -0.07 -2.11 -0.06 0.00 1.34 0.00 0.00 72.50 71.60 1md2 s THR 41 CO 0.05 -0.52 -0.03 -0.36 -0.54 0.00 0.00 174.62 173.22 1md2 s PHE 42 N -3.40 2.49 -0.06 3.99 0.40 -0.53 -0.19 117.98 120.68 1md2 s PHE 42 Ca 0.23 -0.45 0.30 0.00 -0.60 0.00 0.00 56.93 56.41 1md2 s PHE 42 Cb 0.04 -1.43 1.38 0.00 0.51 0.00 0.00 43.02 43.53 1md2 s PHE 42 CO 0.05 0.53 1.89 1.57 0.70 0.00 0.00 175.22 179.96 1md2 h LYS 43 N 1.90 0.00 -0.01 0.44 2.10 -1.90 -0.21 116.57 118.89 1md2 h LYS 43 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 1md2 h LYS 43 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1md2 h LYS 43 CO 0.68 0.00 0.00 0.27 -2.00 0.00 0.00 179.45 178.40 1md2 n ASN 44 N -2.63 0.09 0.00 7.07 0.23 -1.26 -4.88 115.26 113.89 1md2 n ASN 44 Ca 0.00 -1.31 0.00 0.00 -0.53 0.00 0.00 54.58 52.74 1md2 n ASN 44 Cb 0.18 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.88 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 0.87 0.78 3.74 4.83 0.00 -0.09 -5.03 105.19 110.29 1md2 n GLY 45 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1md2 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1md2 s ALA 46 N -2.32 3.72 -0.04 4.61 0.00 -1.25 -4.77 121.76 121.71 1md2 s ALA 46 Ca 0.00 1.47 0.04 0.00 0.00 0.00 0.00 51.96 53.46 1md2 s ALA 46 Cb 0.00 -3.62 -0.00 0.00 0.00 0.00 0.00 23.12 19.50 1md2 s ALA 46 CO 0.00 -0.87 -0.15 0.99 0.00 0.00 0.00 175.76 175.73 1md2 s THR 47 N 0.22 1.24 0.06 0.00 2.01 -1.26 -1.46 115.64 116.46 1md2 s THR 47 Ca 0.64 -0.61 0.03 0.00 0.31 0.00 0.00 61.69 62.06 1md2 s THR 47 Cb -0.45 -1.08 -0.03 0.00 0.01 0.00 0.00 72.50 70.95 1md2 s THR 47 CO 0.43 0.37 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.27 1md2 s PHE 48 N 0.13 0.88 0.21 4.92 0.08 0.08 -3.93 117.98 120.35 1md2 s PHE 48 Ca -0.05 -0.56 0.11 0.00 0.12 0.00 0.00 56.93 56.55 1md2 s PHE 48 Cb -0.11 -0.50 -0.04 0.00 -0.57 0.00 0.00 43.02 41.79 1md2 s PHE 48 CO 0.02 -0.05 -0.23 1.14 -0.10 0.00 0.00 175.22 176.01 1md2 s GLN 49 N -2.06 1.52 -0.37 0.44 -2.07 -0.42 -0.51 119.66 116.18 1md2 s GLN 49 Ca -0.03 -1.56 -0.14 0.00 -1.82 0.00 0.00 55.36 51.81 1md2 s GLN 49 Cb -0.07 -1.77 -0.00 0.00 -1.09 0.00 0.00 33.01 30.08 1md2 s GLN 49 CO 0.00 0.37 0.29 0.08 -1.32 0.00 0.00 175.29 174.72 1md2 s VAL 50 N -1.88 5.24 0.78 3.63 1.01 -0.10 -0.35 120.40 128.73 1md2 s VAL 50 Ca 0.22 -0.35 -0.12 0.00 0.00 0.00 0.00 61.98 61.73 1md2 s VAL 50 Cb -0.07 -3.83 0.07 0.00 0.00 0.00 0.00 36.38 32.54 1md2 s VAL 50 CO 0.10 -0.16 1.14 -1.61 0.00 0.00 0.00 175.10 174.57 1md2 s GLU 51 N 1.78 1.98 0.32 2.72 2.02 -1.26 -3.12 118.70 123.14 1md2 s GLU 51 Ca 0.07 1.47 -0.29 0.00 0.02 0.00 0.00 54.97 56.24 1md2 s GLU 51 Cb -0.18 -1.84 -0.11 0.00 0.10 0.00 0.00 34.13 32.10 1md2 s GLU 51 CO 0.11 -1.90 1.45 0.08 0.02 0.00 0.00 175.26 175.02 1md2 s VAL 52 N -2.48 2.36 0.21 2.63 1.01 -1.26 -4.87 120.40 117.99 1md2 s VAL 52 Ca 0.67 0.34 -0.32 0.00 0.00 0.00 0.00 61.98 62.67 1md2 s VAL 52 Cb -0.22 -3.21 -0.12 0.00 0.00 0.00 0.00 36.38 32.82 1md2 s VAL 52 CO 0.51 0.07 1.72 -2.65 0.00 0.00 0.00 175.10 174.75 1md2 n PRO 53 N 1.26 2.76 -3.08 2.72 -0.02 -1.26 -4.94 135.00 132.44 1md2 n PRO 53 Ca 0.03 1.00 -0.10 0.00 -2.02 0.00 0.00 63.50 62.41 1md2 n PRO 53 Cb 0.40 -2.84 -0.03 0.00 -0.02 0.00 0.00 33.50 31.00 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 3.96 3.10 0.00 -1.23 0.00 -1.26 -5.03 105.19 104.73 1md2 n GLY 54 Ca 0.16 -1.68 0.10 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.13 0.00 0.07 1.61 3.41 -1.26 -1.38 113.62 113.95 1md2 n SER 55 Ca 0.03 0.40 0.12 0.00 -0.26 0.00 0.00 58.87 59.16 1md2 n SER 55 Cb 0.32 -0.46 0.46 0.00 -0.26 0.00 0.00 64.21 64.28 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 -1.46 0.15 -3.73 4.33 0.00 -1.26 -4.80 117.38 110.61 1md2 n GLN 56 Ca 0.06 0.23 -0.37 0.00 0.00 0.00 0.00 57.00 56.91 1md2 n GLN 56 Cb 0.22 -1.72 -0.06 0.00 0.00 0.00 0.00 30.24 28.68 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 -3.12 3.63 0.56 2.61 3.76 -0.48 -5.10 115.29 117.15 1md2 s HIS 57 Ca 0.09 0.68 -0.06 0.00 -0.15 0.00 0.00 55.06 55.62 1md2 s HIS 57 Cb 0.13 -2.09 -0.01 0.00 1.11 0.00 0.00 32.58 31.72 1md2 s HIS 57 CO 0.48 0.66 0.88 0.96 -0.85 0.00 0.00 174.74 176.88 1md2 s ILE 58 N -0.90 4.17 0.24 0.60 -4.36 -1.26 -4.89 121.20 114.79 1md2 s ILE 58 Ca 0.18 0.16 -0.05 0.00 -0.26 0.00 0.00 60.65 60.68 1md2 s ILE 58 Cb -0.14 -3.63 0.20 0.00 1.25 0.00 0.00 42.46 40.15 1md2 s ILE 58 CO 0.07 -0.66 1.77 0.44 0.24 0.00 0.00 174.94 176.80 1md2 h ASP 59 N -0.07 0.47 0.00 4.36 5.19 -1.98 -0.46 116.42 123.93 1md2 h ASP 59 Ca -0.46 0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.03 1md2 h ASP 59 Cb 1.23 -0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.74 1md2 h ASP 59 CO 0.61 0.24 -0.00 0.77 -3.12 0.00 0.00 179.24 177.74 1md2 h SER 60 N 0.60 0.00 1.79 6.45 4.64 -2.04 -1.41 113.55 123.57 1md2 h SER 60 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1md2 h SER 60 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1md2 h SER 60 CO -0.31 0.00 0.00 1.56 -0.87 0.00 0.00 176.83 177.21 1md2 h GLN 61 N 0.00 0.00 -0.25 4.77 4.20 -1.45 -3.36 115.11 119.02 1md2 h GLN 61 Ca -0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1md2 h GLN 61 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1md2 h GLN 61 CO 0.00 0.00 0.15 0.87 -0.67 0.00 0.00 178.83 179.18 1md2 h LYS 62 N 0.00 0.33 -0.56 1.46 1.79 -1.30 0.14 116.57 118.44 1md2 h LYS 62 Ca 0.00 -0.03 -0.06 0.00 -2.18 0.00 0.00 60.65 58.38 1md2 h LYS 62 Cb 0.89 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.45 1md2 h LYS 62 CO 0.00 0.27 0.10 1.57 -1.08 0.00 0.00 179.45 180.32 1md2 h LYS 63 N 0.30 0.88 -0.04 3.15 2.10 -1.75 -2.64 116.57 118.57 1md2 h LYS 63 Ca 0.09 -0.20 -0.12 0.00 -2.00 0.00 0.00 60.65 58.42 1md2 h LYS 63 Cb 0.02 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 31.22 1md2 h LYS 63 CO -0.02 0.81 -0.52 0.00 -2.00 0.00 0.00 179.45 177.72 1md2 h ALA 64 N 1.27 1.05 -0.35 0.07 0.00 -1.45 -0.63 119.26 119.23 1md2 h ALA 64 Ca 0.18 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1md2 h ALA 64 Cb 0.35 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1md2 h ALA 64 CO 0.00 0.67 0.16 0.82 0.00 0.00 0.00 179.25 180.90 1md2 h ILE 65 N 0.09 1.17 -0.63 0.00 2.04 -0.49 0.37 117.51 120.07 1md2 h ILE 65 Ca -0.00 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 1md2 h ILE 65 Cb 0.96 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 1md2 h ILE 65 CO 0.07 0.19 0.30 -0.33 0.00 0.00 0.00 178.15 178.38 1md2 h GLU 66 N 0.42 0.90 -0.72 2.37 4.39 -1.13 -2.26 114.58 118.55 1md2 h GLU 66 Ca 0.12 -0.13 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 1md2 h GLU 66 Cb 0.15 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 1md2 h GLU 66 CO -0.01 0.73 0.27 -0.09 -1.16 0.00 0.00 179.01 178.74 1md2 h ARG 67 N 0.86 1.08 -0.74 2.33 2.43 -0.84 -2.20 114.38 117.30 1md2 h ARG 67 Ca 0.21 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1md2 h ARG 67 Cb 0.12 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.46 1md2 h ARG 67 CO -0.03 0.89 0.44 1.98 -1.51 0.00 0.00 179.97 181.75 1md2 h MET 68 N 1.05 1.00 -0.50 0.20 4.05 -0.63 0.22 114.93 120.33 1md2 h MET 68 Ca 0.24 -0.09 -0.06 0.00 -0.28 0.00 0.00 59.70 59.51 1md2 h MET 68 Cb 0.23 -0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 30.80 1md2 h MET 68 CO -0.02 0.71 0.08 0.87 0.23 0.00 0.00 176.91 178.79 1md2 h LYS 69 N 1.01 0.78 -0.68 0.39 1.57 -1.13 -0.11 116.57 118.40 1md2 h LYS 69 Ca 0.26 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1md2 h LYS 69 Cb -0.03 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 1md2 h LYS 69 CO -0.05 0.73 0.44 -0.44 -0.57 0.00 0.00 179.45 179.57 1md2 h ASP 70 N 0.75 0.78 -0.56 0.86 3.32 -0.72 -1.77 116.42 119.08 1md2 h ASP 70 Ca 0.16 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 1md2 h ASP 70 Cb 0.33 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1md2 h ASP 70 CO 0.00 0.57 0.17 0.74 -1.72 0.00 0.00 179.24 179.01 1md2 h THR 71 N 0.92 1.24 -0.62 0.35 2.02 0.01 -1.99 112.91 114.83 1md2 h THR 71 Ca 0.25 -0.80 -0.04 0.00 0.77 0.00 0.00 66.41 66.59 1md2 h THR 71 Cb -0.10 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 1md2 h THR 71 CO -0.05 0.30 0.25 -0.07 0.37 0.00 0.00 175.52 176.31 1md2 h LEU 72 N 0.78 0.86 -0.08 2.58 3.38 -0.95 0.13 115.31 122.01 1md2 h LEU 72 Ca 0.18 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1md2 h LEU 72 Cb 0.28 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1md2 h LEU 72 CO -0.01 0.80 0.05 -0.09 0.09 0.00 0.00 178.44 179.29 1md2 h ARG 73 N 0.87 0.11 -0.14 1.13 2.43 -1.15 0.66 114.38 118.29 1md2 h ARG 73 Ca 0.21 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.23 1md2 h ARG 73 Cb 0.21 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1md2 h ARG 73 CO -0.02 0.08 -0.53 0.97 -1.51 0.00 0.00 179.97 178.96 1md2 h ILE 74 N 0.10 1.34 -0.35 1.20 2.10 -1.22 -0.76 117.51 119.92 1md2 h ILE 74 Ca 0.03 -1.80 0.02 0.00 1.08 0.00 0.00 64.86 64.19 1md2 h ILE 74 Cb -0.00 1.82 -0.03 0.00 -1.09 0.00 0.00 36.82 37.52 1md2 h ILE 74 CO -0.01 0.55 0.19 0.00 -1.08 0.00 0.00 178.15 177.80 1md2 h ALA 75 N 1.13 0.44 -0.09 0.18 0.00 -0.64 -0.40 119.26 119.87 1md2 h ALA 75 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1md2 h ALA 75 Cb 1.03 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1md2 h ALA 75 CO 0.09 -0.17 -0.04 -0.92 0.00 0.00 0.00 179.25 178.21 1md2 h TYR 76 N 0.39 -0.09 0.00 0.00 3.20 -0.52 -1.44 116.97 118.51 1md2 h TYR 76 Ca 0.14 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 1md2 h TYR 76 Cb 0.03 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1md2 h TYR 76 CO -0.09 -0.07 -0.32 -0.07 -1.64 0.00 0.00 178.16 175.97 1md2 h LEU 77 N -0.03 0.00 -1.62 2.82 3.38 -0.83 -2.56 115.31 116.48 1md2 h LEU 77 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1md2 h LEU 77 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1md2 h LEU 77 CO -0.11 0.32 0.00 0.35 0.09 0.00 0.00 178.44 179.09 1md2 n THR 78 N -4.00 0.27 -2.48 0.22 -2.24 -0.19 -4.94 114.28 100.91 1md2 n THR 78 Ca -0.02 -0.50 -0.19 0.00 -2.27 0.00 0.00 64.05 61.08 1md2 n THR 78 Cb 0.38 0.74 -0.01 0.00 -2.10 0.00 0.00 70.33 69.34 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 0.85 -2.12 -1.98 -0.78 1.02 -0.62 -4.94 120.64 112.07 1md2 n GLU 79 Ca 0.17 0.90 -0.41 0.00 -0.02 0.00 0.00 57.16 57.80 1md2 n GLU 79 Cb 0.46 -5.57 -0.02 0.00 -0.02 0.00 0.00 31.44 26.30 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 -2.95 3.58 0.06 0.62 0.00 -0.75 -4.72 121.76 117.61 1md2 s ALA 80 Ca 0.03 1.38 -0.31 0.00 0.00 0.00 0.00 51.96 53.07 1md2 s ALA 80 Cb -0.02 -3.55 -0.07 0.00 0.00 0.00 0.00 23.12 19.49 1md2 s ALA 80 CO 0.04 -0.80 1.34 0.21 0.00 0.00 0.00 175.76 176.55 1md2 s LYS 81 N -1.26 4.34 -0.19 0.00 2.20 -1.26 -4.26 119.74 119.30 1md2 s LYS 81 Ca 0.55 1.96 -0.18 0.00 -0.36 0.00 0.00 55.97 57.93 1md2 s LYS 81 Cb -0.43 -3.37 -0.03 0.00 -1.51 0.00 0.00 37.83 32.49 1md2 s LYS 81 CO 0.51 -0.43 0.49 0.08 -0.36 0.00 0.00 175.35 175.65 1md2 s VAL 82 N 1.49 5.13 -0.01 4.02 1.01 0.19 -3.24 120.40 128.98 1md2 s VAL 82 Ca 0.63 0.91 -0.00 0.00 0.00 0.00 0.00 61.98 63.52 1md2 s VAL 82 Cb -0.33 -3.82 -0.00 0.00 0.00 0.00 0.00 36.38 32.23 1md2 s VAL 82 CO 0.29 0.20 0.09 -0.08 0.00 0.00 0.00 175.10 175.59 1md2 h GLU 83 N 7.39 -0.01 -5.04 2.72 4.81 -1.03 0.19 114.58 123.62 1md2 h GLU 83 Ca -0.35 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.56 1md2 h GLU 83 Cb 1.16 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 30.37 1md2 h GLU 83 CO 0.74 -0.01 -0.73 0.15 -0.73 0.00 0.00 179.01 178.43 1md2 s LYS 84 N -1.22 0.94 -0.09 1.92 1.02 -1.14 -0.20 119.74 120.97 1md2 s LYS 84 Ca -0.00 -1.27 0.04 0.00 0.02 0.00 0.00 55.97 54.76 1md2 s LYS 84 Cb 0.00 -0.59 -0.00 0.00 -0.52 0.00 0.00 37.83 36.72 1md2 s LYS 84 CO 0.00 0.09 -0.24 -0.51 -0.92 0.00 0.00 175.35 173.77 1md2 s LEU 85 N -2.71 2.06 -0.20 3.17 1.43 -0.14 -1.12 118.68 121.17 1md2 s LEU 85 Ca 0.10 -0.53 -0.19 0.00 -1.03 0.00 0.00 54.13 52.48 1md2 s LEU 85 Cb -0.01 -1.37 -0.03 0.00 0.03 0.00 0.00 46.19 44.81 1md2 s LEU 85 CO 0.00 0.17 0.54 0.00 0.23 0.00 0.00 176.35 177.30 1md2 s VAL 87 N 1.76 1.22 -0.09 0.00 -7.23 -0.23 -0.42 120.40 115.40 1md2 s VAL 87 Ca 0.25 -1.96 -0.20 0.00 -1.81 0.00 0.00 61.98 58.25 1md2 s VAL 87 Cb -0.16 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 35.00 1md2 s VAL 87 CO 0.10 -0.65 0.57 0.26 -0.31 0.00 0.00 175.10 175.07 1md2 s TRP 88 N -2.97 3.54 -1.34 2.82 0.51 0.97 -1.34 118.94 121.12 1md2 s TRP 88 Ca 0.14 1.04 0.19 0.00 -2.12 0.00 0.00 56.10 55.36 1md2 s TRP 88 Cb 0.00 -2.65 0.70 0.00 -0.81 0.00 0.00 33.47 30.71 1md2 s TRP 88 CO 0.02 0.14 1.60 0.27 -0.51 0.00 0.00 176.95 178.47 1md2 n ASN 89 N 3.69 4.53 -1.79 2.95 0.23 -0.19 -1.76 115.26 122.92 1md2 n ASN 89 Ca -0.05 -2.33 0.08 0.00 -0.53 0.00 0.00 54.58 51.75 1md2 n ASN 89 Cb 0.51 -0.55 0.39 0.00 -2.08 0.00 0.00 39.78 38.06 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 1.25 5.49 -4.09 0.53 6.94 -1.26 -4.88 115.26 119.24 1md2 n ASN 90 Ca 0.25 -2.85 -0.14 0.00 -0.02 0.00 0.00 54.58 51.82 1md2 n ASN 90 Cb 0.81 -0.66 -0.12 0.00 -2.36 0.00 0.00 39.78 37.46 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 -2.61 0.61 -0.07 -3.83 -0.14 -1.26 -5.10 119.74 107.35 1md2 s LYS 91 Ca 0.54 -0.80 0.02 0.00 -1.36 0.00 0.00 55.97 54.37 1md2 s LYS 91 Cb 0.40 -0.44 0.01 0.00 -1.68 0.00 0.00 37.83 36.12 1md2 s LYS 91 CO 0.17 0.09 -0.12 0.95 -0.76 0.00 0.00 175.35 175.68 1md2 s THR 92 N -1.33 1.15 0.85 2.17 -4.23 -1.26 -2.75 115.64 110.24 1md2 s THR 92 Ca -0.08 -0.49 -0.13 0.00 -1.18 0.00 0.00 61.69 59.82 1md2 s THR 92 Cb -0.10 -1.05 0.09 0.00 1.34 0.00 0.00 72.50 72.78 1md2 s THR 92 CO 0.01 0.36 1.06 -2.65 -0.54 0.00 0.00 174.62 172.86 1md2 n PRO 93 N 3.82 -0.03 -1.62 3.99 -0.02 -1.26 -5.05 135.00 134.83 1md2 n PRO 93 Ca -0.23 0.07 -0.43 0.00 -2.02 0.00 0.00 63.50 60.89 1md2 n PRO 93 Cb 0.52 -2.32 -0.00 0.00 -0.02 0.00 0.00 33.50 31.67 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 -3.52 1.38 -3.81 6.00 8.25 -1.11 -4.50 115.22 117.92 1md2 n HIS 94 Ca 0.12 0.60 -0.35 0.00 -0.26 0.00 0.00 57.72 57.83 1md2 n HIS 94 Cb 0.51 -2.27 -0.09 0.00 1.12 0.00 0.00 29.99 29.26 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 -1.18 3.56 0.07 -1.41 0.00 -0.72 -1.30 121.76 120.78 1md2 s ALA 95 Ca 0.60 -0.77 -0.31 0.00 0.00 0.00 0.00 51.96 51.48 1md2 s ALA 95 Cb -0.60 -2.12 -0.07 0.00 0.00 0.00 0.00 23.12 20.33 1md2 s ALA 95 CO 0.59 0.06 1.32 0.42 0.00 0.00 0.00 175.76 178.15 1md2 s ILE 96 N 0.57 3.64 -0.17 0.00 1.01 0.53 -0.02 121.20 126.75 1md2 s ILE 96 Ca 0.06 1.15 0.03 0.00 0.00 0.00 0.00 60.65 61.89 1md2 s ILE 96 Cb -0.12 -3.74 -0.12 0.00 0.01 0.00 0.00 42.46 38.48 1md2 s ILE 96 CO 0.00 0.07 -0.13 0.00 0.00 0.00 0.00 174.94 174.89 1md2 n ALA 97 N 4.21 1.62 -3.22 9.38 0.00 0.44 -4.83 120.51 128.11 1md2 n ALA 97 Ca 0.11 -0.78 -0.12 0.00 0.00 0.00 0.00 53.44 52.65 1md2 n ALA 97 Cb 0.44 0.07 -0.04 0.00 0.00 0.00 0.00 19.45 19.92 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 -1.26 -0.01 0.00 0.00 -0.92 -4.98 121.76 112.24 1md2 s ALA 98 Ca -0.21 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.08 1md2 s ALA 98 Cb 0.06 0.67 -0.00 0.00 0.00 0.00 0.00 23.12 23.84 1md2 s ALA 98 CO 0.43 -0.65 -0.08 -1.50 0.00 0.00 0.00 175.76 173.96 1md2 s ILE 99 N -3.41 0.67 -0.01 0.00 2.07 -1.26 -1.10 121.20 118.16 1md2 s ILE 99 Ca 0.00 -0.34 0.07 0.00 -1.41 0.00 0.00 60.65 58.97 1md2 s ILE 99 Cb 0.00 -0.57 -0.02 0.00 0.13 0.00 0.00 42.46 42.00 1md2 s ILE 99 CO -0.09 0.19 -0.23 -0.94 -1.91 0.00 0.00 174.94 171.96 1md2 s SER 100 N -0.10 2.73 -0.05 4.50 1.04 -0.27 -5.01 113.70 116.54 1md2 s SER 100 Ca 0.02 -0.44 0.06 0.00 0.48 0.00 0.00 55.95 56.07 1md2 s SER 100 Cb -0.04 -0.30 -0.01 0.00 0.10 0.00 0.00 66.02 65.77 1md2 s SER 100 CO -0.00 0.28 -0.24 -0.04 0.98 0.00 0.00 173.24 174.22 1md2 s MET 101 N -0.62 2.40 -0.01 4.02 -1.94 -1.26 -0.49 119.30 121.39 1md2 s MET 101 Ca 0.09 -0.85 -0.29 0.00 -1.71 0.00 0.00 55.69 52.93 1md2 s MET 101 Cb -0.09 -2.04 0.08 0.00 2.01 0.00 0.00 34.83 34.79 1md2 s MET 101 CO -0.01 0.36 0.72 0.00 -0.01 0.00 0.00 175.02 176.08 1md2 s ALA 102 N -0.14 -1.75 -1.93 3.03 0.00 -1.20 -4.87 121.76 114.90 1md2 s ALA 102 Ca -0.03 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.07 1md2 s ALA 102 Cb -0.13 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.13 1md2 s ALA 102 CO 0.03 -0.48 0.48 0.27 0.00 0.00 0.00 175.76 176.07