#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5f s PRO 2 N 0.00 3.97 0.00 -0.78 0.04 -1.26 -4.97 135.00 132.00 1s5f s PRO 2 Ca 0.00 1.57 0.21 0.00 0.04 0.00 0.00 61.00 62.82 1s5f s PRO 2 Cb 0.00 -2.42 0.06 0.00 0.04 0.00 0.00 34.50 32.18 1s5f s PRO 2 CO 0.00 -0.32 1.07 1.04 0.04 0.00 0.00 177.00 178.83 1s5f n GLN 3 N -0.36 1.61 -3.69 4.56 6.02 -1.26 -4.98 117.38 119.28 1s5f n GLN 3 Ca 0.06 -1.26 -0.06 0.00 -0.01 0.00 0.00 57.00 55.74 1s5f n GLN 3 Cb 0.50 -1.41 -0.02 0.00 1.02 0.00 0.00 30.24 30.33 1s5f n GLN 3 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1s5f s ASN 4 N -2.10 -0.27 0.37 1.08 2.20 -1.26 -5.07 114.94 109.89 1s5f s ASN 4 Ca 0.20 -0.33 0.09 0.00 -0.94 0.00 0.00 52.86 51.88 1s5f s ASN 4 Cb 0.17 0.54 0.71 0.00 -2.00 0.00 0.00 41.25 40.66 1s5f s ASN 4 CO 0.42 -0.96 1.87 -0.29 -2.94 0.00 0.00 177.10 175.20 1s5f h ILE 5 N 2.00 1.21 -0.02 0.54 2.10 -1.97 -2.45 117.51 118.92 1s5f h ILE 5 Ca -0.24 -0.96 -0.01 0.00 1.08 0.00 0.00 64.86 64.74 1s5f h ILE 5 Cb 1.25 1.32 -0.00 0.00 -1.09 0.00 0.00 36.82 38.30 1s5f h ILE 5 CO 0.27 0.29 -0.01 0.74 -1.08 0.00 0.00 178.15 178.37 1s5f h THR 6 N 0.22 1.32 0.00 2.19 2.02 -2.00 -2.26 112.91 114.40 1s5f h THR 6 Ca 0.04 -0.97 -0.07 0.00 0.77 0.00 0.00 66.41 66.17 1s5f h THR 6 Cb 0.48 1.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.81 1s5f h THR 6 CO 0.03 0.26 -0.35 0.44 0.37 0.00 0.00 175.52 176.27 1s5f h ASP 7 N -0.34 0.00 -0.27 4.18 5.19 -1.97 -2.79 116.42 120.42 1s5f h ASP 7 Ca 0.01 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.29 1s5f h ASP 7 Cb 0.42 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.93 1s5f h ASP 7 CO 0.00 0.35 -0.33 0.25 -3.12 0.00 0.00 179.24 176.39 1s5f h LEU 8 N 0.00 0.76 -1.30 1.55 6.46 -1.42 -3.18 115.31 118.18 1s5f h LEU 8 Ca -0.00 -0.49 0.03 0.00 -0.12 0.00 0.00 57.88 57.30 1s5f h LEU 8 Cb 0.71 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.38 1s5f h LEU 8 CO 0.05 1.10 0.49 0.00 -0.62 0.00 0.00 178.44 179.46 1s5f n ALA 10 N -2.43 1.97 0.46 0.00 0.00 -1.12 -2.32 120.51 117.08 1s5f n ALA 10 Ca 0.10 0.01 0.09 0.00 0.00 0.00 0.00 53.44 53.64 1s5f n ALA 10 Cb 0.12 -1.41 0.39 0.00 0.00 0.00 0.00 19.45 18.55 1s5f n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1s5f n GLU 11 N -2.09 0.08 -5.09 0.00 1.02 -1.04 -4.85 120.64 108.67 1s5f n GLU 11 Ca 0.04 0.32 -0.30 0.00 -0.02 0.00 0.00 57.16 57.20 1s5f n GLU 11 Cb 0.31 -1.65 -0.15 0.00 -0.02 0.00 0.00 31.44 29.93 1s5f n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1s5f s TYR 12 N -3.13 2.26 0.53 -0.32 2.02 -0.98 -5.13 117.35 112.61 1s5f s TYR 12 Ca 0.06 -0.42 -0.19 0.00 -0.37 0.00 0.00 57.07 56.15 1s5f s TYR 12 Cb 0.10 -1.41 -0.07 0.00 -0.40 0.00 0.00 41.96 40.18 1s5f s TYR 12 CO 0.32 0.04 1.07 -1.01 -1.57 0.00 0.00 175.55 174.40 1s5f s HIS 13 N -0.69 2.87 -1.25 2.71 3.76 -1.26 -4.09 115.29 117.34 1s5f s HIS 13 Ca 0.10 1.56 -0.01 0.00 -0.15 0.00 0.00 55.06 56.56 1s5f s HIS 13 Cb -0.10 -3.13 0.00 0.00 1.11 0.00 0.00 32.58 30.46 1s5f s HIS 13 CO 0.00 -1.15 0.94 0.09 -0.85 0.00 0.00 174.74 173.78 1s5f n ASN 14 N -1.30 -2.27 -4.23 1.40 4.13 -1.26 -4.98 115.26 106.75 1s5f n ASN 14 Ca 0.10 -0.66 -0.18 0.00 1.68 0.00 0.00 54.58 55.51 1s5f n ASN 14 Cb 0.52 -4.84 -0.11 0.00 -1.54 0.00 0.00 39.78 33.81 1s5f n ASN 14 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1s5f s THR 15 N -3.43 1.32 0.17 3.41 -4.23 -1.26 -2.18 115.64 109.45 1s5f s THR 15 Ca 0.07 -1.63 0.01 0.00 -1.18 0.00 0.00 61.69 58.96 1s5f s THR 15 Cb -0.03 -1.45 -0.04 0.00 1.34 0.00 0.00 72.50 72.32 1s5f s THR 15 CO 0.75 -0.35 0.03 0.00 -0.54 0.00 0.00 174.62 174.51 1s5f s GLN 16 N -2.44 1.10 -0.11 3.99 -2.07 -0.78 -4.91 119.66 114.45 1s5f s GLN 16 Ca 0.07 -1.54 -0.07 0.00 -1.82 0.00 0.00 55.36 52.00 1s5f s GLN 16 Cb -0.06 -0.10 -0.04 0.00 -1.09 0.00 0.00 33.01 31.72 1s5f s GLN 16 CO 0.03 -0.20 0.15 0.42 -1.32 0.00 0.00 175.29 174.37 1s5f s ILE 17 N -3.80 5.49 -0.15 3.63 -1.09 -1.26 -1.82 121.20 122.20 1s5f s ILE 17 Ca 0.26 0.20 0.02 0.00 -2.23 0.00 0.00 60.65 58.90 1s5f s ILE 17 Cb 0.07 -3.42 0.01 0.00 -1.58 0.00 0.00 42.46 37.54 1s5f s ILE 17 CO 0.05 0.60 -0.20 -1.00 -1.23 0.00 0.00 174.94 173.15 1s5f s HIS 18 N -1.05 2.70 -0.64 3.97 3.76 -0.56 -4.99 115.29 118.47 1s5f s HIS 18 Ca 0.16 -1.30 -0.11 0.00 -0.15 0.00 0.00 55.06 53.66 1s5f s HIS 18 Cb -0.12 -1.84 0.17 0.00 1.11 0.00 0.00 32.58 31.90 1s5f s HIS 18 CO 0.05 -0.60 0.54 0.99 -0.85 0.00 0.00 174.74 174.87 1s5f s THR 19 N 0.85 4.75 -0.17 1.30 2.01 -1.26 -1.89 115.64 121.22 1s5f s THR 19 Ca -0.06 -2.24 -0.21 0.00 0.31 0.00 0.00 61.69 59.49 1s5f s THR 19 Cb -0.15 -4.03 -0.19 0.00 0.01 0.00 0.00 72.50 68.14 1s5f s THR 19 CO -0.02 -0.90 0.36 -0.07 -0.69 0.00 0.00 174.62 173.29 1s5f h LEU 20 N 7.98 0.00 -3.05 4.42 -0.00 -1.62 -3.49 115.31 119.55 1s5f h LEU 20 Ca -0.07 -0.60 -0.51 0.00 -0.00 0.00 0.00 57.88 56.70 1s5f h LEU 20 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.70 1s5f h LEU 20 CO 0.82 1.18 -0.95 0.59 -0.00 0.00 0.00 178.44 180.07 1s5f n ASN 21 N -4.54 -3.39 -3.56 -0.43 3.02 -0.28 -4.97 115.26 101.11 1s5f n ASN 21 Ca -0.20 -1.12 -0.12 0.00 -0.03 0.00 0.00 54.58 53.12 1s5f n ASN 21 Cb 0.52 -2.68 -0.05 0.00 -0.61 0.00 0.00 39.78 36.96 1s5f n ASN 21 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1s5f s ASP 22 N -3.76 -0.42 0.71 6.41 2.15 -1.02 -4.89 116.67 115.85 1s5f s ASP 22 Ca 0.34 0.45 -0.11 0.00 0.43 0.00 0.00 52.55 53.66 1s5f s ASP 22 Cb -0.15 0.35 0.02 0.00 -0.30 0.00 0.00 42.92 42.83 1s5f s ASP 22 CO 0.91 -0.40 1.07 -1.59 -0.17 0.00 0.00 175.17 174.99 1s5f s LYS 23 N -1.19 2.83 0.11 4.34 -2.85 -1.26 -2.06 119.74 119.65 1s5f s LYS 23 Ca -0.03 0.84 -0.30 0.00 -1.00 0.00 0.00 55.97 55.47 1s5f s LYS 23 Cb -0.00 -1.99 -0.06 0.00 -2.06 0.00 0.00 37.83 33.72 1s5f s LYS 23 CO 0.03 -1.14 1.02 0.42 0.10 0.00 0.00 175.35 175.77 1s5f s ILE 24 N -3.10 4.36 0.01 3.79 1.01 -1.26 -4.78 121.20 121.24 1s5f s ILE 24 Ca 0.58 1.91 0.03 0.00 0.00 0.00 0.00 60.65 63.17 1s5f s ILE 24 Cb -0.14 -4.22 -0.25 0.00 0.01 0.00 0.00 42.46 37.86 1s5f s ILE 24 CO 0.55 0.27 0.88 0.15 0.00 0.00 0.00 174.94 176.79 1s5f h PHE 25 N 5.73 0.25 -3.27 3.97 3.57 -1.35 -3.47 116.94 122.38 1s5f h PHE 25 Ca -0.43 -0.18 -0.15 0.00 3.53 0.00 0.00 57.97 60.74 1s5f h PHE 25 Cb 1.21 -0.01 -0.22 0.00 2.79 0.00 0.00 35.95 39.72 1s5f h PHE 25 CO 0.65 1.23 -0.42 -1.54 -2.23 0.00 0.00 178.31 175.99 1s5f s SER 26 N -6.71 -0.13 -0.04 0.41 1.04 -1.02 -4.97 113.70 102.27 1s5f s SER 26 Ca -0.06 0.12 0.04 0.00 0.48 0.00 0.00 55.95 56.53 1s5f s SER 26 Cb 0.08 0.34 -0.00 0.00 0.10 0.00 0.00 66.02 66.53 1s5f s SER 26 CO 0.84 -0.28 -0.16 -0.47 0.98 0.00 0.00 173.24 174.15 1s5f s TYR 27 N -0.80 1.61 -0.04 5.02 6.14 -1.26 -2.41 117.35 125.61 1s5f s TYR 27 Ca -0.09 -0.47 -0.01 0.00 0.64 0.00 0.00 57.07 57.14 1s5f s TYR 27 Cb -0.05 -1.10 0.03 0.00 0.42 0.00 0.00 41.96 41.27 1s5f s TYR 27 CO 0.02 -0.17 0.03 0.99 0.64 0.00 0.00 175.55 177.05 1s5f s THR 28 N 0.11 0.07 0.12 4.34 2.01 -0.18 -4.99 115.64 117.12 1s5f s THR 28 Ca -0.05 0.24 0.06 0.00 0.31 0.00 0.00 61.69 62.25 1s5f s THR 28 Cb -0.12 -0.24 -0.04 0.00 0.01 0.00 0.00 72.50 72.12 1s5f s THR 28 CO 0.02 0.17 -0.13 -1.83 -0.69 0.00 0.00 174.62 172.16 1s5f s GLU 29 N 1.60 1.02 -0.01 4.92 -1.05 -1.26 -0.56 118.70 123.36 1s5f s GLU 29 Ca -0.02 -1.26 0.02 0.00 -0.15 0.00 0.00 54.97 53.56 1s5f s GLU 29 Cb -0.13 -0.84 -0.00 0.00 -0.44 0.00 0.00 34.13 32.72 1s5f s GLU 29 CO -0.03 0.15 -0.07 0.45 0.95 0.00 0.00 175.26 176.71 1s5f s SER 30 N -2.55 0.93 0.00 0.83 0.15 -0.92 -5.01 113.70 107.13 1s5f s SER 30 Ca 0.10 -0.14 0.10 0.00 0.70 0.00 0.00 55.95 56.71 1s5f s SER 30 Cb -0.04 -0.16 0.15 0.00 -1.71 0.00 0.00 66.02 64.26 1s5f s SER 30 CO 0.03 0.07 0.97 0.00 1.20 0.00 0.00 173.24 175.51 1s5f n LEU 31 N 3.06 2.22 -4.75 3.45 -0.00 -1.26 -2.93 117.00 116.78 1s5f n LEU 31 Ca -0.15 -1.33 -0.37 0.00 -0.00 0.00 0.00 56.01 54.16 1s5f n LEU 31 Cb 0.56 -0.07 0.03 0.00 -0.00 0.00 0.00 43.42 43.94 1s5f n LEU 31 CO 0.25 0.48 0.90 0.00 -0.00 0.00 0.00 177.39 179.01 1s5f s ALA 32 N -0.92 2.71 0.22 1.47 0.00 -1.26 -4.85 121.76 119.13 1s5f s ALA 32 Ca 0.16 1.13 -0.31 0.00 0.00 0.00 0.00 51.96 52.93 1s5f s ALA 32 Cb 0.10 -3.49 -0.11 0.00 0.00 0.00 0.00 23.12 19.61 1s5f s ALA 32 CO 0.14 -1.18 1.66 0.20 0.00 0.00 0.00 175.76 176.57 1s5f s GLY 33 N -1.30 1.52 0.00 0.00 0.00 -1.26 -1.81 107.32 104.47 1s5f s GLY 33 Ca 0.73 1.54 0.00 0.00 0.00 0.00 0.00 44.72 46.99 1s5f s GLY 33 CO 0.39 2.74 0.00 0.28 0.00 0.00 0.00 173.10 176.51 1s5f n LYS 34 N 3.49 0.00 -2.58 2.90 4.01 -1.26 -4.84 118.16 119.89 1s5f n LYS 34 Ca 0.13 0.00 -0.23 0.00 -0.51 0.00 0.00 58.31 57.70 1s5f n LYS 34 Cb 0.36 -3.33 0.00 0.00 -0.51 0.00 0.00 35.03 31.56 1s5f n LYS 34 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1s5f n ARG 35 N -2.00 2.88 -2.83 1.97 5.12 -0.75 -4.96 116.66 116.09 1s5f n ARG 35 Ca 0.00 -4.25 -0.43 0.00 -1.93 0.00 0.00 57.85 51.24 1s5f n ARG 35 Cb 0.00 -2.03 -0.03 0.00 -1.16 0.00 0.00 32.46 29.25 1s5f n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1s5f s GLU 36 N -3.42 3.59 0.30 5.56 8.01 -1.22 -4.28 118.70 127.24 1s5f s GLU 36 Ca 0.44 -1.59 -0.02 0.00 0.01 0.00 0.00 54.97 53.81 1s5f s GLU 36 Cb 0.40 -5.03 0.01 0.00 -4.31 0.00 0.00 34.13 25.20 1s5f s GLU 36 CO -0.14 -1.89 0.43 0.00 0.01 0.00 0.00 175.26 173.68 1s5f n MET 37 N 7.16 0.62 -4.08 1.61 0.00 -1.15 -4.11 117.12 117.17 1s5f n MET 37 Ca 0.26 -2.36 -0.09 0.00 0.00 0.00 0.00 57.70 55.51 1s5f n MET 37 Cb 0.50 2.31 -0.10 0.00 0.00 0.00 0.00 33.22 35.92 1s5f n MET 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1s5f s ALA 38 N -2.57 0.52 -0.04 3.17 0.00 -1.15 -2.17 121.76 119.53 1s5f s ALA 38 Ca 0.24 -1.05 -0.02 0.00 0.00 0.00 0.00 51.96 51.13 1s5f s ALA 38 Cb -0.01 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.33 1s5f s ALA 38 CO 0.17 -0.26 0.09 0.42 0.00 0.00 0.00 175.76 176.18 1s5f s ILE 39 N -3.03 -0.04 0.05 0.00 1.01 0.28 -1.71 121.20 117.76 1s5f s ILE 39 Ca 0.01 0.14 0.08 0.00 0.00 0.00 0.00 60.65 60.89 1s5f s ILE 39 Cb 0.01 -0.15 -0.03 0.00 0.01 0.00 0.00 42.46 42.30 1s5f s ILE 39 CO -0.06 0.06 -0.23 0.27 0.00 0.00 0.00 174.94 174.98 1s5f s ILE 40 N 0.83 1.89 0.23 2.92 -4.36 -0.50 -1.01 121.20 121.21 1s5f s ILE 40 Ca -0.07 -1.31 0.05 0.00 -0.26 0.00 0.00 60.65 59.07 1s5f s ILE 40 Cb -0.09 -1.64 -0.05 0.00 1.25 0.00 0.00 42.46 41.93 1s5f s ILE 40 CO -0.03 0.26 -0.05 0.42 0.24 0.00 0.00 174.94 175.78 1s5f s THR 41 N -0.82 1.36 0.39 8.37 -4.23 -1.01 -1.70 115.64 117.99 1s5f s THR 41 Ca 0.09 -2.09 0.08 0.00 -1.18 0.00 0.00 61.69 58.59 1s5f s THR 41 Cb -0.09 -2.28 -0.06 0.00 1.34 0.00 0.00 72.50 71.40 1s5f s THR 41 CO 0.02 -0.40 0.06 -0.36 -0.54 0.00 0.00 174.62 173.40 1s5f s PHE 42 N -3.21 2.55 0.22 3.99 0.40 -0.68 -0.92 117.98 120.33 1s5f s PHE 42 Ca 0.27 -0.57 -0.07 0.00 -0.60 0.00 0.00 56.93 55.96 1s5f s PHE 42 Cb 0.04 -1.74 0.33 0.00 0.51 0.00 0.00 43.02 42.16 1s5f s PHE 42 CO 0.09 0.37 1.77 1.57 0.70 0.00 0.00 175.22 179.72 1s5f h LYS 43 N 1.67 0.56 -0.01 0.44 2.10 -1.90 -2.04 116.57 117.38 1s5f h LYS 43 Ca -0.43 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1s5f h LYS 43 Cb 1.25 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 1s5f h LYS 43 CO 0.73 0.37 -0.27 0.09 -2.00 0.00 0.00 179.45 178.36 1s5f n ASN 44 N -4.88 1.44 0.00 7.07 3.02 -1.26 -4.95 115.26 115.70 1s5f n ASN 44 Ca 0.11 -1.18 0.00 0.00 -0.03 0.00 0.00 54.58 53.48 1s5f n ASN 44 Cb 0.27 0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 1s5f n ASN 44 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1s5f n GLY 45 N 1.34 0.20 3.70 7.41 0.00 -0.77 -5.12 105.19 111.96 1s5f n GLY 45 Ca 0.12 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 1s5f n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s5f n ALA 46 N 0.00 2.13 -2.55 4.61 0.00 -1.26 -4.75 120.51 118.70 1s5f n ALA 46 Ca 0.00 0.41 -0.23 0.00 0.00 0.00 0.00 53.44 53.62 1s5f n ALA 46 Cb 0.00 -2.43 -0.14 0.00 0.00 0.00 0.00 19.45 16.88 1s5f n ALA 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1s5f s THR 47 N 0.76 1.40 -0.05 0.00 2.01 -1.26 -1.69 115.64 116.81 1s5f s THR 47 Ca 0.74 -1.04 -0.10 0.00 0.31 0.00 0.00 61.69 61.60 1s5f s THR 47 Cb -0.58 -1.23 0.02 0.00 0.01 0.00 0.00 72.50 70.73 1s5f s THR 47 CO 0.39 0.16 0.24 -0.36 -0.69 0.00 0.00 174.62 174.36 1s5f s PHE 48 N -0.74 -0.18 0.31 4.92 0.08 -0.69 -3.90 117.98 117.78 1s5f s PHE 48 Ca 0.05 0.40 0.10 0.00 0.12 0.00 0.00 56.93 57.60 1s5f s PHE 48 Cb -0.08 0.06 -0.05 0.00 -0.57 0.00 0.00 43.02 42.38 1s5f s PHE 48 CO 0.01 -0.23 -0.05 1.14 -0.10 0.00 0.00 175.22 175.99 1s5f s GLN 49 N -0.56 2.00 -0.20 0.44 -2.07 -0.50 -1.41 119.66 117.36 1s5f s GLN 49 Ca -0.07 -1.71 -0.03 0.00 -1.82 0.00 0.00 55.36 51.73 1s5f s GLN 49 Cb -0.04 -1.91 -0.01 0.00 -1.09 0.00 0.00 33.01 29.96 1s5f s GLN 49 CO 0.02 0.23 -0.06 0.08 -1.32 0.00 0.00 175.29 174.23 1s5f s VAL 50 N -2.49 3.31 0.65 3.63 1.01 -0.69 -1.24 120.40 124.57 1s5f s VAL 50 Ca 0.33 -0.53 -0.16 0.00 0.00 0.00 0.00 61.98 61.62 1s5f s VAL 50 Cb -0.02 -2.48 -0.00 0.00 0.00 0.00 0.00 36.38 33.88 1s5f s VAL 50 CO 0.18 0.45 1.13 -1.61 0.00 0.00 0.00 175.10 175.25 1s5f s GLU 51 N 1.19 2.77 0.20 2.72 2.02 -1.26 -2.93 118.70 123.41 1s5f s GLU 51 Ca 0.02 1.49 -0.32 0.00 0.02 0.00 0.00 54.97 56.18 1s5f s GLU 51 Cb -0.14 -1.94 -0.12 0.00 0.10 0.00 0.00 34.13 32.03 1s5f s GLU 51 CO -0.02 -1.29 1.73 0.28 0.02 0.00 0.00 175.26 175.98 1s5f n VAL 52 N -2.30 0.02 -1.73 2.63 0.31 -1.26 -4.84 118.33 111.17 1s5f n VAL 52 Ca 0.11 -0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.02 1s5f n VAL 52 Cb 0.51 -2.00 -0.01 0.00 -0.91 0.00 0.00 33.84 31.44 1s5f n VAL 52 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1s5f n PRO 53 N 4.08 2.41 -0.33 5.55 -0.02 -1.26 -4.95 135.00 140.48 1s5f n PRO 53 Ca 0.16 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 1s5f n PRO 53 Cb 0.35 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 1s5f n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s5f n GLY 54 N 1.11 2.48 0.15 -1.23 0.00 -1.26 -5.04 105.19 101.39 1s5f n GLY 54 Ca 0.05 -0.81 0.13 0.00 0.00 0.00 0.00 46.02 45.39 1s5f n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1s5f h SER 55 N 0.00 0.00 0.40 1.61 4.64 -2.02 -2.59 113.55 115.59 1s5f h SER 55 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s5f h SER 55 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1s5f h SER 55 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1s5f n GLN 56 N -2.38 0.33 -4.66 4.77 0.00 -1.26 -4.76 117.38 109.41 1s5f n GLN 56 Ca 0.03 0.08 -0.33 0.00 0.00 0.00 0.00 57.00 56.77 1s5f n GLN 56 Cb 0.30 -1.50 -0.14 0.00 0.00 0.00 0.00 30.24 28.90 1s5f n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1s5f s HIS 57 N -2.55 2.83 0.80 2.61 3.76 -0.98 -5.12 115.29 116.64 1s5f s HIS 57 Ca 0.21 -0.70 -0.11 0.00 -0.15 0.00 0.00 55.06 54.31 1s5f s HIS 57 Cb 0.15 -1.87 0.07 0.00 1.11 0.00 0.00 32.58 32.03 1s5f s HIS 57 CO 0.33 -0.26 1.09 0.96 -0.85 0.00 0.00 174.74 176.01 1s5f s ILE 58 N 0.49 3.22 0.28 0.60 -4.36 -1.26 -4.87 121.20 115.30 1s5f s ILE 58 Ca -0.09 0.40 0.01 0.00 -0.26 0.00 0.00 60.65 60.71 1s5f s ILE 58 Cb -0.16 -2.97 0.27 0.00 1.25 0.00 0.00 42.46 40.85 1s5f s ILE 58 CO 0.04 -0.52 1.79 -0.78 0.24 0.00 0.00 174.94 175.71 1s5f h ASP 59 N -1.17 0.72 0.83 4.36 3.58 -1.99 -2.24 116.42 120.50 1s5f h ASP 59 Ca -0.46 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.07 1s5f h ASP 59 Cb 1.25 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.25 1s5f h ASP 59 CO 0.55 0.32 0.00 0.77 -2.88 0.00 0.00 179.24 177.99 1s5f h SER 60 N 0.77 0.00 1.20 2.28 4.64 -2.04 -2.59 113.55 117.82 1s5f h SER 60 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1s5f h SER 60 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1s5f h SER 60 CO -0.34 0.00 -0.22 0.00 -0.87 0.00 0.00 176.83 175.40 1s5f n GLN 61 N -2.38 0.24 -0.05 4.77 6.02 -0.84 -4.19 117.38 120.95 1s5f n GLN 61 Ca 0.02 0.15 -0.12 0.00 -0.01 0.00 0.00 57.00 57.04 1s5f n GLN 61 Cb 0.26 -1.73 -0.06 0.00 1.02 0.00 0.00 30.24 29.72 1s5f n GLN 61 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1s5f h LYS 62 N 0.00 0.32 -0.34 -1.09 1.79 -1.57 -0.57 116.57 115.11 1s5f h LYS 62 Ca 0.00 -0.13 -0.01 0.00 -2.18 0.00 0.00 60.65 58.33 1s5f h LYS 62 Cb 0.71 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.33 1s5f h LYS 62 CO 0.00 0.62 0.18 1.57 -1.08 0.00 0.00 179.45 180.74 1s5f h LYS 63 N -0.00 0.46 0.00 3.15 2.10 -1.76 -2.86 116.57 117.65 1s5f h LYS 63 Ca 0.04 -0.04 -0.07 0.00 -2.00 0.00 0.00 60.65 58.58 1s5f h LYS 63 Cb 0.52 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 31.74 1s5f h LYS 63 CO 0.02 0.35 -0.32 0.00 -2.00 0.00 0.00 179.45 177.49 1s5f h ALA 64 N 1.73 0.84 -0.09 0.07 0.00 -1.61 -2.86 119.26 117.33 1s5f h ALA 64 Ca 0.12 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1s5f h ALA 64 Cb 0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1s5f h ALA 64 CO -0.02 0.40 -0.14 0.82 0.00 0.00 0.00 179.25 180.31 1s5f h ILE 65 N 0.00 1.39 -0.83 0.00 2.04 -0.89 -2.36 117.51 116.86 1s5f h ILE 65 Ca -0.00 -1.38 0.10 0.00 1.00 0.00 0.00 64.86 64.57 1s5f h ILE 65 Cb 1.13 2.08 -0.07 0.00 -0.74 0.00 0.00 36.82 39.21 1s5f h ILE 65 CO 0.04 0.39 0.48 -0.33 0.00 0.00 0.00 178.15 178.73 1s5f h GLU 66 N -0.18 0.77 -0.47 2.37 4.39 -1.53 -2.26 114.58 117.66 1s5f h GLU 66 Ca 0.01 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.60 1s5f h GLU 66 Cb 0.70 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 1s5f h GLU 66 CO 0.03 0.51 0.05 -0.09 -1.16 0.00 0.00 179.01 178.36 1s5f h ARG 67 N 0.79 0.79 -0.52 2.33 2.43 -1.51 -2.79 114.38 115.91 1s5f h ARG 67 Ca 0.40 -0.23 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 1s5f h ARG 67 Cb 0.38 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 1s5f h ARG 67 CO -0.25 0.82 0.18 1.98 -1.51 0.00 0.00 179.97 181.18 1s5f h MET 68 N 0.66 0.76 -0.36 0.20 4.05 -0.86 0.71 114.93 120.09 1s5f h MET 68 Ca 0.14 -0.13 -0.12 0.00 -0.28 0.00 0.00 59.70 59.31 1s5f h MET 68 Cb 0.42 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 31.08 1s5f h MET 68 CO 0.01 0.66 -0.26 0.87 0.23 0.00 0.00 176.91 178.41 1s5f h LYS 69 N 0.75 0.73 -0.29 0.39 1.57 -1.40 -2.27 116.57 116.06 1s5f h LYS 69 Ca 0.18 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1s5f h LYS 69 Cb 0.20 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1s5f h LYS 69 CO -0.01 0.92 0.15 -0.44 -0.57 0.00 0.00 179.45 179.49 1s5f h ASP 70 N 0.63 0.37 -0.96 0.86 3.32 -1.05 -2.60 116.42 116.99 1s5f h ASP 70 Ca 0.08 -0.11 0.08 0.00 0.02 0.00 0.00 57.03 57.10 1s5f h ASP 70 Cb 0.77 -0.10 -0.07 0.00 0.22 0.00 0.00 39.33 40.16 1s5f h ASP 70 CO 0.06 0.38 0.62 0.74 -1.72 0.00 0.00 179.24 179.32 1s5f h THR 71 N 0.34 1.03 0.04 0.35 2.02 -0.62 -1.31 112.91 114.77 1s5f h THR 71 Ca 0.10 -0.37 -0.22 0.00 0.77 0.00 0.00 66.41 66.69 1s5f h THR 71 Cb 0.09 -0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.36 1s5f h THR 71 CO -0.01 0.19 -1.04 -0.07 0.37 0.00 0.00 175.52 174.96 1s5f h LEU 72 N 1.07 0.16 -0.35 2.58 3.38 -1.38 -1.75 115.31 119.02 1s5f h LEU 72 Ca 0.43 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 58.15 1s5f h LEU 72 Cb 0.27 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1s5f h LEU 72 CO -0.18 1.09 -0.12 -0.09 0.09 0.00 0.00 178.44 179.23 1s5f h ARG 73 N 0.04 0.71 -0.34 1.13 2.43 -1.02 -0.96 114.38 116.36 1s5f h ARG 73 Ca -0.05 -0.29 -0.04 0.00 -0.81 0.00 0.00 59.98 58.79 1s5f h ARG 73 Cb 1.77 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.28 1s5f h ARG 73 CO 0.15 0.88 0.05 0.82 -1.51 0.00 0.00 179.97 180.37 1s5f h ILE 74 N 0.49 1.24 -0.47 1.20 2.04 -1.25 -2.14 117.51 118.62 1s5f h ILE 74 Ca 0.08 -0.83 -0.04 0.00 1.00 0.00 0.00 64.86 65.07 1s5f h ILE 74 Cb 0.65 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 1s5f h ILE 74 CO 0.04 0.28 0.11 0.00 0.00 0.00 0.00 178.15 178.58 1s5f h ALA 75 N 0.90 1.32 0.17 1.87 0.00 -1.28 -1.42 119.26 120.81 1s5f h ALA 75 Ca 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1s5f h ALA 75 Cb 0.35 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1s5f h ALA 75 CO 0.01 0.48 -0.08 -0.92 0.00 0.00 0.00 179.25 178.74 1s5f h TYR 76 N 0.68 -0.21 0.00 0.00 3.20 -0.86 -2.27 116.97 117.51 1s5f h TYR 76 Ca 0.15 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 1s5f h TYR 76 Cb 0.26 0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.60 1s5f h TYR 76 CO 0.01 0.06 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.41 1s5f h LEU 77 N -0.47 0.00 -0.57 2.82 3.38 -1.26 -2.96 115.31 116.24 1s5f h LEU 77 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1s5f h LEU 77 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1s5f h LEU 77 CO 0.04 0.11 -0.35 0.35 0.09 0.00 0.00 178.44 178.68 1s5f n THR 78 N -3.23 0.00 -2.29 0.22 -2.24 -0.55 -4.96 114.28 101.23 1s5f n THR 78 Ca 0.01 -0.15 -0.16 0.00 -2.27 0.00 0.00 64.05 61.48 1s5f n THR 78 Cb 0.40 0.61 -0.02 0.00 -2.10 0.00 0.00 70.33 69.22 1s5f n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1s5f n GLU 79 N -0.58 -1.91 -2.33 -0.78 1.02 -0.87 -4.94 120.64 110.25 1s5f n GLU 79 Ca 0.11 0.79 -0.42 0.00 -0.02 0.00 0.00 57.16 57.62 1s5f n GLU 79 Cb 0.38 -5.38 -0.03 0.00 -0.02 0.00 0.00 31.44 26.39 1s5f n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s5f s ALA 80 N -2.73 3.46 0.22 0.62 0.00 -1.11 -4.70 121.76 117.51 1s5f s ALA 80 Ca 0.00 0.97 -0.31 0.00 0.00 0.00 0.00 51.96 52.62 1s5f s ALA 80 Cb 0.00 -3.46 -0.10 0.00 0.00 0.00 0.00 23.12 19.56 1s5f s ALA 80 CO 0.00 -0.46 1.50 0.15 0.00 0.00 0.00 175.76 176.95 1s5f s LYS 81 N 0.53 4.24 -0.18 0.00 1.02 -1.26 -4.33 119.74 119.75 1s5f s LYS 81 Ca 0.58 2.34 -0.09 0.00 0.02 0.00 0.00 55.97 58.82 1s5f s LYS 81 Cb -0.33 -3.12 -0.05 0.00 -0.52 0.00 0.00 37.83 33.81 1s5f s LYS 81 CO 0.33 -0.51 0.11 0.54 -0.92 0.00 0.00 175.35 174.90 1s5f s VAL 82 N 0.48 5.25 -0.04 3.17 0.11 -0.88 -4.33 120.40 124.16 1s5f s VAL 82 Ca 0.64 0.13 -0.14 0.00 -2.93 0.00 0.00 61.98 59.68 1s5f s VAL 82 Cb -0.43 -3.37 -0.08 0.00 -1.53 0.00 0.00 36.38 30.97 1s5f s VAL 82 CO 0.38 0.47 0.60 -0.08 -3.33 0.00 0.00 175.10 173.14 1s5f h GLU 83 N 6.45 -0.49 -3.98 1.54 4.81 -1.45 -0.64 114.58 120.82 1s5f h GLU 83 Ca -0.42 0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 58.74 1s5f h GLU 83 Cb 1.16 0.11 -0.14 0.00 0.63 0.00 0.00 28.75 30.51 1s5f h GLU 83 CO 0.72 -0.32 -0.47 0.15 -0.73 0.00 0.00 179.01 178.36 1s5f s LYS 84 N -3.23 0.80 -0.08 1.92 1.02 -1.12 -2.02 119.74 117.04 1s5f s LYS 84 Ca -0.08 -1.08 0.00 0.00 0.02 0.00 0.00 55.97 54.84 1s5f s LYS 84 Cb 0.01 0.30 0.02 0.00 -0.52 0.00 0.00 37.83 37.64 1s5f s LYS 84 CO 0.23 -0.23 -0.06 -0.51 -0.92 0.00 0.00 175.35 173.85 1s5f s LEU 85 N -2.90 1.23 0.12 3.17 1.43 -0.79 -1.56 118.68 119.37 1s5f s LEU 85 Ca 0.07 -0.21 -0.26 0.00 -1.03 0.00 0.00 54.13 52.70 1s5f s LEU 85 Cb 0.06 -0.66 -0.07 0.00 0.03 0.00 0.00 46.19 45.55 1s5f s LEU 85 CO -0.09 -0.08 0.82 0.00 0.23 0.00 0.00 176.35 177.23 1s5f s VAL 87 N -0.52 0.11 -0.29 0.00 -7.23 -0.76 -1.45 120.40 110.26 1s5f s VAL 87 Ca 0.39 -0.90 -0.28 0.00 -1.81 0.00 0.00 61.98 59.39 1s5f s VAL 87 Cb -0.22 -0.41 0.01 0.00 0.56 0.00 0.00 36.38 36.32 1s5f s VAL 87 CO 0.26 -0.49 0.99 0.26 -0.31 0.00 0.00 175.10 175.81 1s5f s TRP 88 N -1.62 3.22 -2.16 2.82 0.51 0.39 -1.86 118.94 120.23 1s5f s TRP 88 Ca -0.14 1.18 0.26 0.00 -2.12 0.00 0.00 56.10 55.28 1s5f s TRP 88 Cb -0.08 -3.46 1.31 0.00 -0.81 0.00 0.00 33.47 30.43 1s5f s TRP 88 CO -0.01 -0.64 1.87 0.27 -0.51 0.00 0.00 176.95 177.94 1s5f n ASN 89 N 6.56 0.64 -0.75 2.95 0.23 -0.93 -2.47 115.26 121.48 1s5f n ASN 89 Ca 0.10 -1.34 0.06 0.00 -0.53 0.00 0.00 54.58 52.87 1s5f n ASN 89 Cb 0.47 -0.02 0.18 0.00 -2.08 0.00 0.00 39.78 38.33 1s5f n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1s5f n ASN 90 N -0.45 2.17 -4.34 0.53 2.04 -1.26 -4.88 115.26 109.08 1s5f n ASN 90 Ca 0.19 -2.01 -0.23 0.00 -0.44 0.00 0.00 54.58 52.09 1s5f n ASN 90 Cb 0.19 -0.27 -0.11 0.00 -2.53 0.00 0.00 39.78 37.05 1s5f n ASN 90 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 1s5f s LYS 91 N -1.47 1.29 -0.16 -3.83 -0.14 -1.24 -5.08 119.74 109.10 1s5f s LYS 91 Ca 0.27 -1.39 0.00 0.00 -1.36 0.00 0.00 55.97 53.49 1s5f s LYS 91 Cb 0.14 -1.42 0.03 0.00 -1.68 0.00 0.00 37.83 34.91 1s5f s LYS 91 CO 0.18 0.30 -0.09 0.99 -0.76 0.00 0.00 175.35 175.96 1s5f s THR 92 N -1.87 1.37 0.92 2.17 2.01 -1.26 -2.76 115.64 116.23 1s5f s THR 92 Ca 0.15 -0.70 -0.11 0.00 0.31 0.00 0.00 61.69 61.34 1s5f s THR 92 Cb -0.07 -1.43 0.14 0.00 0.01 0.00 0.00 72.50 71.16 1s5f s THR 92 CO 0.07 0.26 1.09 -2.84 -0.69 0.00 0.00 174.62 172.51 1s5f s PRO 93 N 1.54 1.07 -0.06 4.92 0.02 -1.26 -5.06 135.00 136.17 1s5f s PRO 93 Ca 0.02 1.03 -0.36 0.00 0.02 0.00 0.00 61.00 61.70 1s5f s PRO 93 Cb -0.15 -1.77 -0.14 0.00 0.02 0.00 0.00 34.50 32.46 1s5f s PRO 93 CO -0.09 -2.43 1.68 0.72 -0.33 0.00 0.00 177.00 176.56 1s5f n HIS 94 N -4.04 2.09 -2.92 6.54 8.25 -1.11 -4.47 115.22 119.56 1s5f n HIS 94 Ca 0.08 0.32 -0.41 0.00 -0.26 0.00 0.00 57.72 57.45 1s5f n HIS 94 Cb 0.54 -2.52 -0.04 0.00 1.12 0.00 0.00 29.99 29.09 1s5f n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s5f s ALA 95 N 2.62 3.36 0.04 -1.41 0.00 -1.03 -1.41 121.76 123.93 1s5f s ALA 95 Ca 0.90 0.18 -0.30 0.00 0.00 0.00 0.00 51.96 52.74 1s5f s ALA 95 Cb -0.84 -3.14 -0.05 0.00 0.00 0.00 0.00 23.12 19.09 1s5f s ALA 95 CO 0.52 -0.33 1.15 0.42 0.00 0.00 0.00 175.76 177.52 1s5f s ILE 96 N 1.33 4.24 -0.17 0.00 1.01 -0.37 -0.46 121.20 126.78 1s5f s ILE 96 Ca 0.41 1.61 0.12 0.00 0.00 0.00 0.00 60.65 62.78 1s5f s ILE 96 Cb -0.18 -4.03 -0.19 0.00 0.01 0.00 0.00 42.46 38.07 1s5f s ILE 96 CO 0.18 0.12 0.01 0.00 0.00 0.00 0.00 174.94 175.25 1s5f n ALA 97 N 3.96 1.60 -3.39 9.38 0.00 -0.53 -4.87 120.51 126.66 1s5f n ALA 97 Ca 0.08 -1.03 -0.08 0.00 0.00 0.00 0.00 53.44 52.41 1s5f n ALA 97 Cb 0.47 -0.07 -0.04 0.00 0.00 0.00 0.00 19.45 19.81 1s5f n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s5f s ALA 98 N -2.39 -0.60 -0.17 0.00 0.00 -1.01 -4.97 121.76 112.62 1s5f s ALA 98 Ca -0.12 -0.64 -0.13 0.00 0.00 0.00 0.00 51.96 51.07 1s5f s ALA 98 Cb 0.05 0.98 0.05 0.00 0.00 0.00 0.00 23.12 24.20 1s5f s ALA 98 CO 0.62 -0.90 0.43 -1.50 0.00 0.00 0.00 175.76 174.41 1s5f s ILE 99 N -3.97 -0.01 0.16 0.00 2.07 -1.26 -2.41 121.20 115.78 1s5f s ILE 99 Ca 0.18 0.04 0.10 0.00 -1.41 0.00 0.00 60.65 59.55 1s5f s ILE 99 Cb -0.02 -0.61 -0.04 0.00 0.13 0.00 0.00 42.46 41.91 1s5f s ILE 99 CO 0.07 0.01 -0.23 -0.94 -1.91 0.00 0.00 174.94 171.95 1s5f s SER 100 N 0.71 3.09 -0.06 4.50 1.04 -0.60 -4.98 113.70 117.39 1s5f s SER 100 Ca -0.04 -0.82 -0.03 0.00 0.48 0.00 0.00 55.95 55.54 1s5f s SER 100 Cb -0.05 -0.21 0.04 0.00 0.10 0.00 0.00 66.02 65.90 1s5f s SER 100 CO -0.05 0.08 0.12 -0.04 0.98 0.00 0.00 173.24 174.33 1s5f s MET 101 N -2.50 -0.01 0.28 4.02 -1.94 -1.26 -1.12 119.30 116.77 1s5f s MET 101 Ca 0.16 0.46 0.11 0.00 -1.71 0.00 0.00 55.69 54.72 1s5f s MET 101 Cb -0.08 -0.35 -0.05 0.00 2.01 0.00 0.00 34.83 36.36 1s5f s MET 101 CO 0.08 -0.30 -0.16 0.00 -0.01 0.00 0.00 175.02 174.63 1s5f s ALA 102 N 2.09 2.84 0.00 3.03 0.00 -1.26 -4.89 121.76 123.57 1s5f s ALA 102 Ca 0.02 -1.86 0.00 0.00 0.00 0.00 0.00 51.96 50.12 1s5f s ALA 102 Cb -0.12 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.67 1s5f s ALA 102 CO -0.05 0.26 0.00 0.27 0.00 0.00 0.00 175.76 176.24