#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5e s PRO 2 N 0.00 3.17 0.00 1.09 0.04 -1.26 -4.97 135.00 133.07 1s5e s PRO 2 Ca 0.00 1.39 0.10 0.00 0.04 0.00 0.00 61.00 62.52 1s5e s PRO 2 Cb 0.00 -2.00 0.13 0.00 0.04 0.00 0.00 34.50 32.67 1s5e s PRO 2 CO 0.00 -0.95 0.92 1.04 0.04 0.00 0.00 177.00 178.04 1s5e n GLN 3 N -1.91 1.02 -3.85 4.56 6.02 -1.26 -4.99 117.38 116.96 1s5e n GLN 3 Ca 0.10 -1.32 -0.07 0.00 -0.01 0.00 0.00 57.00 55.70 1s5e n GLN 3 Cb 0.52 -1.20 -0.02 0.00 1.02 0.00 0.00 30.24 30.56 1s5e n GLN 3 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1s5e s ASN 4 N -0.86 -0.24 0.26 1.08 2.20 -1.26 -5.06 114.94 111.06 1s5e s ASN 4 Ca 0.14 -0.64 0.02 0.00 -0.94 0.00 0.00 52.86 51.43 1s5e s ASN 4 Cb 0.09 0.73 0.33 0.00 -2.00 0.00 0.00 41.25 40.40 1s5e s ASN 4 CO 0.13 -1.36 1.66 -0.29 -2.94 0.00 0.00 177.10 174.29 1s5e h ILE 5 N 2.00 1.29 -0.50 0.54 2.10 -1.96 -1.92 117.51 119.07 1s5e h ILE 5 Ca -0.20 -1.48 -0.06 0.00 1.08 0.00 0.00 64.86 64.20 1s5e h ILE 5 Cb 1.25 1.54 -0.02 0.00 -1.09 0.00 0.00 36.82 38.50 1s5e h ILE 5 CO 0.24 0.46 0.07 0.74 -1.08 0.00 0.00 178.15 178.59 1s5e h THR 6 N 0.38 1.25 -0.06 2.19 2.02 -1.99 -0.31 112.91 116.39 1s5e h THR 6 Ca 0.04 -0.94 -0.11 0.00 0.77 0.00 0.00 66.41 66.16 1s5e h THR 6 Cb 0.82 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1s5e h THR 6 CO 0.07 0.34 -0.47 0.44 0.37 0.00 0.00 175.52 176.26 1s5e h ASP 7 N 0.71 0.16 -0.06 4.18 3.32 -1.95 -2.10 116.42 120.69 1s5e h ASP 7 Ca 0.15 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 1s5e h ASP 7 Cb 0.41 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 1s5e h ASP 7 CO 0.01 0.62 -0.07 0.25 -1.72 0.00 0.00 179.24 178.33 1s5e h LEU 8 N 0.12 0.15 -0.80 1.55 6.46 -1.02 -3.19 115.31 118.60 1s5e h LEU 8 Ca 0.01 -0.51 0.06 0.00 -0.12 0.00 0.00 57.88 57.32 1s5e h LEU 8 Cb 0.89 -0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 40.72 1s5e h LEU 8 CO 0.07 0.63 0.49 0.00 -0.62 0.00 0.00 178.44 179.00 1s5e h ALA 10 N 1.38 1.55 0.00 0.00 0.00 -1.37 -1.88 119.26 118.95 1s5e h ALA 10 Ca 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1s5e h ALA 10 Cb 0.15 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1s5e h ALA 10 CO -0.17 -0.25 0.00 0.39 0.00 0.00 0.00 179.25 179.23 1s5e n GLU 11 N -3.47 0.15 -4.79 0.00 1.02 -0.86 -4.76 120.64 107.93 1s5e n GLU 11 Ca 0.00 0.16 -0.26 0.00 -0.02 0.00 0.00 57.16 57.04 1s5e n GLU 11 Cb 0.29 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 30.06 1s5e n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1s5e s TYR 12 N -2.73 1.82 0.59 -0.32 1.51 -0.71 -5.13 117.35 112.38 1s5e s TYR 12 Ca 0.13 -0.36 -0.15 0.00 -1.01 0.00 0.00 57.07 55.68 1s5e s TYR 12 Cb 0.11 -1.12 -0.04 0.00 -0.11 0.00 0.00 41.96 40.80 1s5e s TYR 12 CO 0.27 0.04 1.03 -1.01 -1.11 0.00 0.00 175.55 174.78 1s5e s HIS 13 N -0.67 3.19 -1.19 2.71 3.76 -1.26 -3.96 115.29 117.87 1s5e s HIS 13 Ca 0.08 1.47 0.00 0.00 -0.15 0.00 0.00 55.06 56.46 1s5e s HIS 13 Cb -0.08 -2.91 0.00 0.00 1.11 0.00 0.00 32.58 30.70 1s5e s HIS 13 CO 0.01 -0.88 0.00 0.09 -0.85 0.00 0.00 174.74 173.11 1s5e n ASN 14 N -2.09 -4.26 -4.55 1.40 4.13 -1.26 -4.96 115.26 103.67 1s5e n ASN 14 Ca 0.08 -0.00 -0.25 0.00 1.68 0.00 0.00 54.58 56.08 1s5e n ASN 14 Cb 0.53 -3.42 -0.10 0.00 -1.54 0.00 0.00 39.78 35.25 1s5e n ASN 14 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1s5e s THR 15 N -2.68 2.45 0.20 3.41 -4.23 -1.25 -0.31 115.64 113.22 1s5e s THR 15 Ca 0.00 -2.19 -0.21 0.00 -1.18 0.00 0.00 61.69 58.11 1s5e s THR 15 Cb 0.00 -2.60 0.05 0.00 1.34 0.00 0.00 72.50 71.29 1s5e s THR 15 CO 0.00 -0.26 0.60 0.00 -0.54 0.00 0.00 174.62 174.42 1s5e s GLN 16 N -3.61 1.42 -0.17 3.99 -2.07 -0.53 -4.85 119.66 113.85 1s5e s GLN 16 Ca 0.32 -0.70 -0.07 0.00 -1.82 0.00 0.00 55.36 53.09 1s5e s GLN 16 Cb -0.01 0.57 -0.04 0.00 -1.09 0.00 0.00 33.01 32.45 1s5e s GLN 16 CO 0.17 -0.62 0.07 0.42 -1.32 0.00 0.00 175.29 174.01 1s5e s ILE 17 N -3.82 4.91 -0.20 3.63 -1.09 -1.26 -1.51 121.20 121.85 1s5e s ILE 17 Ca 0.05 0.00 -0.08 0.00 -2.23 0.00 0.00 60.65 58.40 1s5e s ILE 17 Cb -0.02 -3.19 -0.04 0.00 -1.58 0.00 0.00 42.46 37.63 1s5e s ILE 17 CO -0.06 0.49 0.07 -1.00 -1.23 0.00 0.00 174.94 173.22 1s5e s HIS 18 N 0.07 3.22 -0.35 3.97 3.76 0.07 -4.97 115.29 121.06 1s5e s HIS 18 Ca 0.06 -0.00 -0.15 0.00 -0.15 0.00 0.00 55.06 54.82 1s5e s HIS 18 Cb -0.12 -2.13 -0.01 0.00 1.11 0.00 0.00 32.58 31.43 1s5e s HIS 18 CO 0.00 0.05 0.35 0.99 -0.85 0.00 0.00 174.74 175.28 1s5e s THR 19 N 0.68 5.18 -0.18 1.30 2.01 -1.26 -1.42 115.64 121.95 1s5e s THR 19 Ca 0.04 -0.07 -0.04 0.00 0.31 0.00 0.00 61.69 61.93 1s5e s THR 19 Cb -0.13 -3.84 -0.10 0.00 0.01 0.00 0.00 72.50 68.44 1s5e s THR 19 CO 0.02 -0.13 -0.20 0.18 -0.69 0.00 0.00 174.62 173.79 1s5e n LEU 20 N 5.36 2.12 -4.16 4.42 7.99 -0.35 -5.02 117.00 127.36 1s5e n LEU 20 Ca -0.09 0.08 -0.28 0.00 -0.01 0.00 0.00 56.01 55.70 1s5e n LEU 20 Cb 0.49 -0.58 -0.07 0.00 -0.11 0.00 0.00 43.42 43.15 1s5e n LEU 20 CO 0.41 0.59 -0.37 0.59 -1.51 0.00 0.00 177.39 177.09 1s5e n ASN 21 N -3.45 0.41 -3.59 -1.43 3.02 -0.05 -4.94 115.26 105.24 1s5e n ASN 21 Ca -0.34 -1.16 -0.13 0.00 -0.03 0.00 0.00 54.58 52.92 1s5e n ASN 21 Cb 0.80 -2.23 -0.05 0.00 -0.61 0.00 0.00 39.78 37.69 1s5e n ASN 21 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1s5e s ASP 22 N -4.38 -0.39 0.75 6.41 2.15 -0.80 -4.88 116.67 115.53 1s5e s ASP 22 Ca 0.00 0.04 -0.11 0.00 0.43 0.00 0.00 52.55 52.91 1s5e s ASP 22 Cb -0.00 0.49 0.04 0.00 -0.30 0.00 0.00 42.92 43.14 1s5e s ASP 22 CO 0.95 -0.76 1.08 -1.59 -0.17 0.00 0.00 175.17 174.68 1s5e s LYS 23 N -2.83 2.52 0.11 4.34 -2.85 -1.26 -0.79 119.74 118.98 1s5e s LYS 23 Ca -0.03 0.73 -0.30 0.00 -1.00 0.00 0.00 55.97 55.37 1s5e s LYS 23 Cb -0.00 -1.96 -0.07 0.00 -2.06 0.00 0.00 37.83 33.74 1s5e s LYS 23 CO -0.05 -1.33 1.19 0.42 0.10 0.00 0.00 175.35 175.68 1s5e s ILE 24 N -3.14 3.87 0.02 3.79 1.01 -1.26 -4.72 121.20 120.78 1s5e s ILE 24 Ca 0.59 1.43 -0.13 0.00 0.00 0.00 0.00 60.65 62.55 1s5e s ILE 24 Cb -0.14 -3.91 -0.34 0.00 0.01 0.00 0.00 42.46 38.08 1s5e s ILE 24 CO 0.54 0.16 0.97 0.15 0.00 0.00 0.00 174.94 176.76 1s5e h PHE 25 N 6.18 0.85 -3.10 3.97 3.57 -0.83 -3.48 116.94 124.10 1s5e h PHE 25 Ca -0.43 -0.62 -0.13 0.00 3.53 0.00 0.00 57.97 60.32 1s5e h PHE 25 Cb 1.21 -0.03 -0.22 0.00 2.79 0.00 0.00 35.95 39.70 1s5e h PHE 25 CO 0.65 1.53 -0.33 -1.54 -2.23 0.00 0.00 178.31 176.39 1s5e s SER 26 N -7.45 -0.19 -0.07 0.41 1.04 -1.03 -4.98 113.70 101.44 1s5e s SER 26 Ca -0.09 0.19 0.02 0.00 0.48 0.00 0.00 55.95 56.55 1s5e s SER 26 Cb 0.05 0.38 0.01 0.00 0.10 0.00 0.00 66.02 66.56 1s5e s SER 26 CO 0.92 -0.34 -0.12 -0.47 0.98 0.00 0.00 173.24 174.21 1s5e s TYR 27 N -0.92 1.49 -0.07 5.02 6.14 -1.26 -1.92 117.35 125.83 1s5e s TYR 27 Ca -0.10 -0.55 0.02 0.00 0.64 0.00 0.00 57.07 57.07 1s5e s TYR 27 Cb -0.05 -1.09 0.02 0.00 0.42 0.00 0.00 41.96 41.26 1s5e s TYR 27 CO 0.03 -0.28 -0.10 0.99 0.64 0.00 0.00 175.55 176.82 1s5e s THR 28 N 0.67 1.01 0.10 4.34 2.01 0.43 -5.00 115.64 119.20 1s5e s THR 28 Ca -0.14 -0.38 0.05 0.00 0.31 0.00 0.00 61.69 61.52 1s5e s THR 28 Cb -0.16 -0.95 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 1s5e s THR 28 CO 0.04 0.33 -0.12 -1.83 -0.69 0.00 0.00 174.62 172.35 1s5e s GLU 29 N 0.87 0.91 -0.02 4.92 -1.05 -1.26 -0.49 118.70 122.58 1s5e s GLU 29 Ca -0.11 -1.15 0.01 0.00 -0.15 0.00 0.00 54.97 53.57 1s5e s GLU 29 Cb -0.15 -0.72 0.01 0.00 -0.44 0.00 0.00 34.13 32.83 1s5e s GLU 29 CO 0.01 0.13 -0.02 0.45 0.95 0.00 0.00 175.26 176.78 1s5e s SER 30 N -2.32 0.47 -0.07 0.83 0.15 -0.66 -5.01 113.70 107.09 1s5e s SER 30 Ca 0.05 -0.06 0.14 0.00 0.70 0.00 0.00 55.95 56.79 1s5e s SER 30 Cb -0.05 -0.15 0.47 0.00 -1.71 0.00 0.00 66.02 64.58 1s5e s SER 30 CO 0.02 -0.02 1.39 0.00 1.20 0.00 0.00 173.24 175.83 1s5e n LEU 31 N 3.52 3.60 -4.77 3.45 -0.00 -1.26 -2.86 117.00 118.68 1s5e n LEU 31 Ca -0.19 -2.37 -0.38 0.00 -0.00 0.00 0.00 56.01 53.07 1s5e n LEU 31 Cb 0.55 -0.40 -0.01 0.00 -0.00 0.00 0.00 43.42 43.56 1s5e n LEU 31 CO 0.24 0.75 0.87 0.00 -0.00 0.00 0.00 177.39 179.25 1s5e s ALA 32 N -1.66 3.06 0.14 1.47 0.00 -1.26 -4.86 121.76 118.64 1s5e s ALA 32 Ca 0.35 1.04 -0.32 0.00 0.00 0.00 0.00 51.96 53.03 1s5e s ALA 32 Cb 0.23 -3.42 -0.11 0.00 0.00 0.00 0.00 23.12 19.82 1s5e s ALA 32 CO 0.16 -0.72 1.81 0.41 0.00 0.00 0.00 175.76 177.42 1s5e n GLY 33 N 0.57 1.62 3.01 0.00 0.00 -1.26 -1.04 105.19 108.08 1s5e n GLY 33 Ca 0.06 0.70 0.00 0.00 0.00 0.00 0.00 46.02 46.78 1s5e n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s5e n LYS 34 N 5.22 -0.29 -2.53 1.61 4.76 -1.26 -4.84 118.16 120.84 1s5e n LYS 34 Ca 0.18 0.07 -0.13 0.00 -2.87 0.00 0.00 58.31 55.56 1s5e n LYS 34 Cb 0.36 -3.45 0.03 0.00 -1.84 0.00 0.00 35.03 30.13 1s5e n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1s5e n ARG 35 N -1.80 2.35 -2.71 1.97 1.74 -0.21 -4.98 116.66 113.02 1s5e n ARG 35 Ca 0.00 -3.79 -0.42 0.00 -0.77 0.00 0.00 57.85 52.87 1s5e n ARG 35 Cb 0.07 -1.80 -0.03 0.00 -1.02 0.00 0.00 32.46 29.69 1s5e n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1s5e s GLU 36 N -3.54 3.58 0.25 5.56 8.01 -1.18 -4.32 118.70 127.05 1s5e s GLU 36 Ca 0.37 -1.35 -0.15 0.00 0.01 0.00 0.00 54.97 53.84 1s5e s GLU 36 Cb 0.39 -5.14 0.01 0.00 -4.31 0.00 0.00 34.13 25.08 1s5e s GLU 36 CO -0.03 -2.03 0.54 0.00 0.01 0.00 0.00 175.26 173.76 1s5e s MET 37 N 4.06 1.58 0.06 1.61 0.23 -1.14 -4.08 119.30 121.63 1s5e s MET 37 Ca 0.40 -1.14 0.07 0.00 -1.03 0.00 0.00 55.69 53.99 1s5e s MET 37 Cb -0.02 0.51 -0.03 0.00 -1.53 0.00 0.00 34.83 33.76 1s5e s MET 37 CO -0.09 -0.68 -0.18 0.00 -2.03 0.00 0.00 175.02 172.04 1s5e s ALA 38 N -3.98 1.56 -0.05 3.16 0.00 -1.20 -1.65 121.76 119.60 1s5e s ALA 38 Ca 0.18 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 51.13 1s5e s ALA 38 Cb -0.02 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.85 1s5e s ALA 38 CO 0.07 0.32 -0.10 0.42 0.00 0.00 0.00 175.76 176.48 1s5e s ILE 39 N -0.92 0.92 0.16 0.00 1.01 0.36 -1.01 121.20 121.73 1s5e s ILE 39 Ca 0.05 -0.36 0.11 0.00 0.00 0.00 0.00 60.65 60.45 1s5e s ILE 39 Cb -0.09 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.48 1s5e s ILE 39 CO 0.02 0.30 -0.25 0.27 0.00 0.00 0.00 174.94 175.29 1s5e s ILE 40 N 0.68 2.27 0.19 2.92 -4.36 -0.09 -0.43 121.20 122.38 1s5e s ILE 40 Ca -0.13 -1.90 0.05 0.00 -0.26 0.00 0.00 60.65 58.42 1s5e s ILE 40 Cb -0.15 -2.04 -0.05 0.00 1.25 0.00 0.00 42.46 41.47 1s5e s ILE 40 CO 0.02 -0.04 -0.09 0.42 0.24 0.00 0.00 174.94 175.50 1s5e s THR 41 N -1.42 1.32 0.32 8.37 -4.23 -0.81 -1.16 115.64 118.03 1s5e s THR 41 Ca 0.17 -2.10 0.09 0.00 -1.18 0.00 0.00 61.69 58.68 1s5e s THR 41 Cb -0.09 -2.07 -0.05 0.00 1.34 0.00 0.00 72.50 71.64 1s5e s THR 41 CO 0.08 -0.57 0.01 -0.36 -0.54 0.00 0.00 174.62 173.24 1s5e s PHE 42 N -3.23 2.58 0.46 3.99 0.40 -0.15 -0.10 117.98 121.92 1s5e s PHE 42 Ca 0.22 -0.37 0.38 0.00 -0.60 0.00 0.00 56.93 56.56 1s5e s PHE 42 Cb 0.03 -1.40 1.94 0.00 0.51 0.00 0.00 43.02 44.10 1s5e s PHE 42 CO 0.05 0.51 2.21 1.57 0.70 0.00 0.00 175.22 180.26 1s5e h LYS 43 N 1.83 0.00 -0.11 0.44 2.10 -1.89 -0.63 116.57 118.31 1s5e h LYS 43 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1s5e h LYS 43 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1s5e h LYS 43 CO 0.64 0.02 0.00 0.27 -2.00 0.00 0.00 179.45 178.38 1s5e n ASN 44 N -3.20 0.67 0.00 7.07 2.04 -1.26 -4.90 115.26 115.67 1s5e n ASN 44 Ca -0.02 -1.87 0.00 0.00 -0.44 0.00 0.00 54.58 52.25 1s5e n ASN 44 Cb 0.17 -0.07 0.00 0.00 -2.53 0.00 0.00 39.78 37.34 1s5e n ASN 44 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1s5e n GLY 45 N 0.76 2.45 3.74 4.83 0.00 -0.24 -5.04 105.19 111.68 1s5e n GLY 45 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1s5e n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s5e s ALA 46 N -2.44 3.78 -0.03 4.61 0.00 -1.25 -4.76 121.76 121.67 1s5e s ALA 46 Ca 0.00 1.49 0.04 0.00 0.00 0.00 0.00 51.96 53.49 1s5e s ALA 46 Cb 0.00 -3.64 -0.00 0.00 0.00 0.00 0.00 23.12 19.48 1s5e s ALA 46 CO 0.00 -0.89 -0.15 0.99 0.00 0.00 0.00 175.76 175.72 1s5e s THR 47 N 0.53 1.21 0.02 0.00 2.01 -1.26 -0.98 115.64 117.16 1s5e s THR 47 Ca 0.67 -0.61 -0.00 0.00 0.31 0.00 0.00 61.69 62.05 1s5e s THR 47 Cb -0.46 -1.03 -0.02 0.00 0.01 0.00 0.00 72.50 71.00 1s5e s THR 47 CO 0.40 0.35 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.30 1s5e s PHE 48 N -0.05 0.20 0.22 4.92 0.08 -0.31 -3.96 117.98 119.08 1s5e s PHE 48 Ca -0.00 -0.41 0.12 0.00 0.12 0.00 0.00 56.93 56.75 1s5e s PHE 48 Cb -0.09 -0.15 -0.05 0.00 -0.57 0.00 0.00 43.02 42.16 1s5e s PHE 48 CO 0.01 -0.16 -0.23 1.14 -0.10 0.00 0.00 175.22 175.88 1s5e s GLN 49 N -1.18 1.57 -0.27 0.44 -2.07 -0.46 -0.92 119.66 116.78 1s5e s GLN 49 Ca -0.13 -1.61 -0.10 0.00 -1.82 0.00 0.00 55.36 51.70 1s5e s GLN 49 Cb -0.08 -1.82 -0.05 0.00 -1.09 0.00 0.00 33.01 29.97 1s5e s GLN 49 CO -0.01 0.38 0.16 0.08 -1.32 0.00 0.00 175.29 174.58 1s5e s VAL 50 N -1.95 5.16 0.52 3.63 1.01 -0.18 -0.71 120.40 127.88 1s5e s VAL 50 Ca 0.24 0.12 -0.22 0.00 0.00 0.00 0.00 61.98 62.11 1s5e s VAL 50 Cb -0.07 -3.44 -0.06 0.00 0.00 0.00 0.00 36.38 32.81 1s5e s VAL 50 CO 0.12 0.29 1.34 -1.61 0.00 0.00 0.00 175.10 175.23 1s5e s GLU 51 N 1.57 3.30 0.14 2.72 2.02 -1.26 -3.21 118.70 123.99 1s5e s GLU 51 Ca 0.07 2.20 -0.35 0.00 0.02 0.00 0.00 54.97 56.91 1s5e s GLU 51 Cb -0.15 -2.34 -0.15 0.00 0.10 0.00 0.00 34.13 31.59 1s5e s GLU 51 CO 0.08 -1.05 1.47 0.28 0.02 0.00 0.00 175.26 176.06 1s5e n VAL 52 N -0.83 0.11 -1.84 2.63 0.31 -1.26 -4.88 118.33 112.59 1s5e n VAL 52 Ca 0.09 -0.03 -0.42 0.00 -0.01 0.00 0.00 64.34 63.98 1s5e n VAL 52 Cb 0.45 -1.26 -0.02 0.00 -0.91 0.00 0.00 33.84 32.10 1s5e n VAL 52 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1s5e s PRO 53 N 0.61 4.16 0.04 5.55 0.02 -1.26 -4.95 135.00 139.17 1s5e s PRO 53 Ca 0.80 2.50 -0.01 0.00 0.02 0.00 0.00 61.00 64.31 1s5e s PRO 53 Cb -0.78 -3.06 0.01 0.00 0.02 0.00 0.00 34.50 30.69 1s5e s PRO 53 CO 0.42 -0.60 0.08 0.41 -0.33 0.00 0.00 177.00 176.99 1s5e n GLY 54 N 2.54 2.01 0.00 0.52 0.00 -1.26 -5.04 105.19 103.96 1s5e n GLY 54 Ca 0.09 -1.08 0.06 0.00 0.00 0.00 0.00 46.02 45.09 1s5e n GLY 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s5e n SER 55 N -1.18 0.00 0.00 1.61 3.41 -1.26 -1.55 113.62 114.65 1s5e n SER 55 Ca -0.01 0.39 0.14 0.00 -0.26 0.00 0.00 58.87 59.14 1s5e n SER 55 Cb 0.07 -0.44 0.75 0.00 -0.26 0.00 0.00 64.21 64.32 1s5e n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s5e n GLN 56 N -1.44 0.44 -4.26 4.33 0.00 -1.26 -4.83 117.38 110.36 1s5e n GLN 56 Ca 0.04 0.01 -0.31 0.00 0.00 0.00 0.00 57.00 56.74 1s5e n GLN 56 Cb 0.13 -1.50 -0.09 0.00 0.00 0.00 0.00 30.24 28.78 1s5e n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1s5e s HIS 57 N -2.55 2.94 0.45 2.61 3.76 -0.60 -5.13 115.29 116.78 1s5e s HIS 57 Ca 0.29 -0.03 -0.02 0.00 -0.15 0.00 0.00 55.06 55.15 1s5e s HIS 57 Cb 0.20 -1.57 -0.02 0.00 1.11 0.00 0.00 32.58 32.31 1s5e s HIS 57 CO 0.44 0.44 0.70 0.96 -0.85 0.00 0.00 174.74 176.44 1s5e s ILE 58 N -1.17 4.44 0.32 0.60 -4.36 -1.26 -4.89 121.20 114.87 1s5e s ILE 58 Ca 0.22 -0.25 0.03 0.00 -0.26 0.00 0.00 60.65 60.39 1s5e s ILE 58 Cb -0.11 -3.66 0.29 0.00 1.25 0.00 0.00 42.46 40.23 1s5e s ILE 58 CO 0.13 -0.53 1.90 0.44 0.24 0.00 0.00 174.94 177.11 1s5e h ASP 59 N 0.36 0.82 0.33 4.36 3.32 -2.00 -0.92 116.42 122.69 1s5e h ASP 59 Ca -0.47 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 1s5e h ASP 59 Cb 1.23 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.63 1s5e h ASP 59 CO 0.60 0.49 -0.06 0.77 -1.72 0.00 0.00 179.24 179.32 1s5e h SER 60 N 0.91 0.00 1.07 6.45 4.64 -2.04 -2.01 113.55 122.56 1s5e h SER 60 Ca 0.41 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.67 1s5e h SER 60 Cb 0.37 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 1s5e h SER 60 CO -0.17 0.06 -0.29 1.56 -0.87 0.00 0.00 176.83 177.12 1s5e h GLN 61 N 0.00 0.00 -0.37 4.77 4.20 -1.55 -3.34 115.11 118.82 1s5e h GLN 61 Ca -0.00 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.77 1s5e h GLN 61 Cb 0.24 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.97 1s5e h GLN 61 CO 0.01 0.29 0.01 0.87 -0.67 0.00 0.00 178.83 179.34 1s5e h LYS 62 N 0.00 0.11 -0.13 1.46 1.79 -1.42 0.07 116.57 118.46 1s5e h LYS 62 Ca -0.00 -0.01 -0.06 0.00 -2.18 0.00 0.00 60.65 58.40 1s5e h LYS 62 Cb 0.90 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.52 1s5e h LYS 62 CO 0.04 0.08 -0.20 1.57 -1.08 0.00 0.00 179.45 179.85 1s5e h LYS 63 N 0.12 0.21 0.00 3.15 2.10 -1.75 -2.87 116.57 117.53 1s5e h LYS 63 Ca 0.18 -0.06 -0.19 0.00 -2.00 0.00 0.00 60.65 58.58 1s5e h LYS 63 Cb 0.24 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.53 1s5e h LYS 63 CO -0.29 0.41 -0.84 0.00 -2.00 0.00 0.00 179.45 176.73 1s5e h ALA 64 N 1.60 0.58 -0.56 0.07 0.00 -1.36 -2.13 119.26 117.47 1s5e h ALA 64 Ca 0.04 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 1s5e h ALA 64 Cb 0.47 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1s5e h ALA 64 CO 0.03 0.94 0.30 0.82 0.00 0.00 0.00 179.25 181.35 1s5e h ILE 65 N 0.07 1.19 -0.48 0.00 2.04 -0.85 0.13 117.51 119.61 1s5e h ILE 65 Ca -0.03 -0.49 -0.10 0.00 1.00 0.00 0.00 64.86 65.24 1s5e h ILE 65 Cb 1.47 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 1s5e h ILE 65 CO 0.12 0.21 -0.07 -0.33 0.00 0.00 0.00 178.15 178.08 1s5e h GLU 66 N 0.76 0.90 -0.86 2.37 4.39 -1.41 -2.23 114.58 118.49 1s5e h GLU 66 Ca 0.20 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 1s5e h GLU 66 Cb 0.06 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 1s5e h GLU 66 CO -0.03 0.97 0.51 -0.09 -1.16 0.00 0.00 179.01 179.21 1s5e h ARG 67 N 0.75 1.18 -0.66 2.33 2.43 -1.13 -2.52 114.38 116.75 1s5e h ARG 67 Ca 0.13 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1s5e h ARG 67 Cb 0.61 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 1s5e h ARG 67 CO 0.04 0.84 0.22 1.98 -1.51 0.00 0.00 179.97 181.54 1s5e h MET 68 N 1.19 1.02 -0.58 0.20 4.05 -0.37 0.02 114.93 120.46 1s5e h MET 68 Ca 0.31 -0.21 -0.03 0.00 -0.28 0.00 0.00 59.70 59.48 1s5e h MET 68 Cb -0.03 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 30.59 1s5e h MET 68 CO -0.06 0.88 0.22 0.87 0.23 0.00 0.00 176.91 179.05 1s5e h LYS 69 N 0.96 0.84 -0.51 0.39 1.57 -1.18 -0.45 116.57 118.19 1s5e h LYS 69 Ca 0.22 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 1s5e h LYS 69 Cb 0.28 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1s5e h LYS 69 CO -0.01 0.70 0.07 -0.44 -0.57 0.00 0.00 179.45 179.20 1s5e h ASP 70 N 0.83 0.82 -0.86 0.86 3.32 -0.91 -2.08 116.42 118.39 1s5e h ASP 70 Ca 0.20 -0.27 0.01 0.00 0.02 0.00 0.00 57.03 56.99 1s5e h ASP 70 Cb 0.18 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 1s5e h ASP 70 CO -0.02 0.88 0.57 0.74 -1.72 0.00 0.00 179.24 179.70 1s5e h THR 71 N 0.72 1.22 -0.35 0.35 2.02 -0.38 -0.14 112.91 116.34 1s5e h THR 71 Ca 0.15 -0.40 -0.14 0.00 0.77 0.00 0.00 66.41 66.79 1s5e h THR 71 Cb 0.42 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1s5e h THR 71 CO 0.01 0.21 -0.36 -0.07 0.37 0.00 0.00 175.52 175.69 1s5e h LEU 72 N 1.16 0.87 -0.34 2.58 3.38 -0.94 -0.40 115.31 121.62 1s5e h LEU 72 Ca 0.32 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1s5e h LEU 72 Cb -0.13 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.37 1s5e h LEU 72 CO -0.07 1.13 0.09 -0.09 0.09 0.00 0.00 178.44 179.59 1s5e h ARG 73 N 0.68 0.54 -0.20 1.13 2.43 -1.03 -0.58 114.38 117.36 1s5e h ARG 73 Ca 0.06 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1s5e h ARG 73 Cb 0.91 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 1s5e h ARG 73 CO 0.08 0.59 0.11 0.82 -1.51 0.00 0.00 179.97 180.06 1s5e h ILE 74 N 0.40 1.11 -0.62 1.20 2.04 -0.85 -1.43 117.51 119.35 1s5e h ILE 74 Ca 0.11 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.70 1s5e h ILE 74 Cb 0.28 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 1s5e h ILE 74 CO -0.00 0.10 0.41 0.00 0.00 0.00 0.00 178.15 178.66 1s5e h ALA 75 N 1.00 0.80 0.22 1.87 0.00 -0.98 -1.32 119.26 120.84 1s5e h ALA 75 Ca 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1s5e h ALA 75 Cb 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1s5e h ALA 75 CO -0.01 0.20 -0.11 -0.92 0.00 0.00 0.00 179.25 178.40 1s5e h TYR 76 N 0.82 -0.29 -0.05 0.00 3.20 -0.85 -1.69 116.97 118.11 1s5e h TYR 76 Ca 0.23 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.02 1s5e h TYR 76 Cb -0.07 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 1s5e h TYR 76 CO -0.04 -0.18 -0.34 -0.07 -1.64 0.00 0.00 178.16 175.90 1s5e h LEU 77 N -0.31 0.09 -0.76 2.82 3.38 -1.00 -2.42 115.31 117.12 1s5e h LEU 77 Ca -0.03 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1s5e h LEU 77 Cb 0.24 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1s5e h LEU 77 CO 0.04 0.43 -0.02 0.35 0.09 0.00 0.00 178.44 179.33 1s5e n THR 78 N -4.12 0.00 -4.04 0.22 -2.24 -0.52 -4.94 114.28 98.64 1s5e n THR 78 Ca -0.02 -0.20 -0.32 0.00 -2.27 0.00 0.00 64.05 61.25 1s5e n THR 78 Cb 0.40 0.31 -0.00 0.00 -2.10 0.00 0.00 70.33 68.93 1s5e n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1s5e n GLU 79 N -0.10 -4.21 -2.62 -0.78 1.02 -0.73 -4.93 120.64 108.30 1s5e n GLU 79 Ca 0.19 0.48 -0.41 0.00 -0.02 0.00 0.00 57.16 57.41 1s5e n GLU 79 Cb 0.31 -5.18 -0.05 0.00 -0.02 0.00 0.00 31.44 26.51 1s5e n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s5e s ALA 80 N -3.41 3.34 0.01 0.62 0.00 -0.72 -4.80 121.76 116.81 1s5e s ALA 80 Ca 0.57 0.72 -0.30 0.00 0.00 0.00 0.00 51.96 52.95 1s5e s ALA 80 Cb -0.30 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.47 1s5e s ALA 80 CO 0.88 -0.05 1.30 0.15 0.00 0.00 0.00 175.76 178.04 1s5e s LYS 81 N -0.67 4.34 -0.07 0.00 1.02 -1.26 -4.27 119.74 118.83 1s5e s LYS 81 Ca 0.46 1.85 -0.18 0.00 0.02 0.00 0.00 55.97 58.12 1s5e s LYS 81 Cb -0.28 -3.49 -0.05 0.00 -0.52 0.00 0.00 37.83 33.50 1s5e s LYS 81 CO 0.34 -0.46 0.49 0.54 -0.92 0.00 0.00 175.35 175.34 1s5e s VAL 82 N 1.95 5.09 -0.02 3.17 0.11 0.03 -4.35 120.40 126.38 1s5e s VAL 82 Ca 0.61 1.01 -0.00 0.00 -2.93 0.00 0.00 61.98 60.66 1s5e s VAL 82 Cb -0.30 -3.83 -0.00 0.00 -1.53 0.00 0.00 36.38 30.73 1s5e s VAL 82 CO 0.26 0.40 -0.00 -0.08 -3.33 0.00 0.00 175.10 172.35 1s5e h GLU 83 N 6.07 0.00 -4.93 1.54 4.81 -1.24 0.09 114.58 120.93 1s5e h GLU 83 Ca -0.44 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.47 1s5e h GLU 83 Cb 1.19 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.38 1s5e h GLU 83 CO 0.71 0.00 -0.74 0.15 -0.73 0.00 0.00 179.01 178.40 1s5e s LYS 84 N -1.10 0.76 -0.09 1.92 1.02 -1.10 -1.21 119.74 119.95 1s5e s LYS 84 Ca -0.00 -1.03 0.04 0.00 0.02 0.00 0.00 55.97 55.00 1s5e s LYS 84 Cb 0.00 -0.52 0.00 0.00 -0.52 0.00 0.00 37.83 36.79 1s5e s LYS 84 CO 0.00 0.09 -0.22 -0.51 -0.92 0.00 0.00 175.35 173.79 1s5e s LEU 85 N -2.13 2.02 -0.14 3.17 1.43 -0.50 -0.93 118.68 121.59 1s5e s LEU 85 Ca 0.01 -0.51 -0.20 0.00 -1.03 0.00 0.00 54.13 52.39 1s5e s LEU 85 Cb -0.06 -1.31 -0.03 0.00 0.03 0.00 0.00 46.19 44.82 1s5e s LEU 85 CO 0.00 0.14 0.58 0.00 0.23 0.00 0.00 176.35 177.31 1s5e s VAL 87 N 1.23 0.62 -0.12 0.00 -7.23 -0.57 -0.39 120.40 113.94 1s5e s VAL 87 Ca 0.29 -1.70 -0.22 0.00 -1.81 0.00 0.00 61.98 58.55 1s5e s VAL 87 Cb -0.16 -1.38 -0.03 0.00 0.56 0.00 0.00 36.38 35.36 1s5e s VAL 87 CO 0.12 -0.75 0.64 0.26 -0.31 0.00 0.00 175.10 175.05 1s5e s TRP 88 N -3.05 3.49 -2.03 2.82 0.51 0.58 -1.45 118.94 119.83 1s5e s TRP 88 Ca 0.06 1.07 0.21 0.00 -2.12 0.00 0.00 56.10 55.32 1s5e s TRP 88 Cb 0.01 -2.76 0.59 0.00 -0.81 0.00 0.00 33.47 30.51 1s5e s TRP 88 CO -0.04 0.00 1.50 0.27 -0.51 0.00 0.00 176.95 178.17 1s5e n ASN 89 N 4.24 3.62 -1.84 2.95 0.23 0.58 -2.04 115.26 123.00 1s5e n ASN 89 Ca -0.02 -2.00 0.01 0.00 -0.53 0.00 0.00 54.58 52.04 1s5e n ASN 89 Cb 0.51 -0.44 0.35 0.00 -2.08 0.00 0.00 39.78 38.11 1s5e n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1s5e n ASN 90 N 1.49 5.14 -4.23 0.53 6.94 -1.26 -4.90 115.26 118.97 1s5e n ASN 90 Ca 0.23 -3.09 -0.18 0.00 -0.02 0.00 0.00 54.58 51.52 1s5e n ASN 90 Cb 0.57 -0.70 -0.11 0.00 -2.36 0.00 0.00 39.78 37.18 1s5e n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1s5e s LYS 91 N -2.89 0.99 -0.11 -3.83 -0.14 -1.25 -5.09 119.74 107.42 1s5e s LYS 91 Ca 0.54 -1.21 0.01 0.00 -1.36 0.00 0.00 55.97 53.95 1s5e s LYS 91 Cb 0.42 -0.87 0.02 0.00 -1.68 0.00 0.00 37.83 35.72 1s5e s LYS 91 CO 0.14 0.17 -0.12 0.99 -0.76 0.00 0.00 175.35 175.77 1s5e s THR 92 N -2.07 1.27 1.00 2.17 2.01 -1.26 -2.69 115.64 116.06 1s5e s THR 92 Ca 0.08 -0.48 -0.12 0.00 0.31 0.00 0.00 61.69 61.48 1s5e s THR 92 Cb -0.05 -1.20 0.19 0.00 0.01 0.00 0.00 72.50 71.44 1s5e s THR 92 CO 0.03 0.40 1.08 -2.84 -0.69 0.00 0.00 174.62 172.60 1s5e s PRO 93 N 1.28 0.40 0.32 4.92 0.02 -1.26 -5.06 135.00 135.61 1s5e s PRO 93 Ca -0.02 1.03 -0.29 0.00 0.02 0.00 0.00 61.00 61.74 1s5e s PRO 93 Cb -0.14 -1.69 -0.13 0.00 0.02 0.00 0.00 34.50 32.56 1s5e s PRO 93 CO -0.05 -2.89 1.33 0.72 -0.33 0.00 0.00 177.00 175.79 1s5e n HIS 94 N -4.36 2.28 -3.65 6.54 8.25 -1.10 -4.50 115.22 118.69 1s5e n HIS 94 Ca 0.07 0.51 -0.36 0.00 -0.26 0.00 0.00 57.72 57.68 1s5e n HIS 94 Cb 0.54 -2.44 -0.09 0.00 1.12 0.00 0.00 29.99 29.13 1s5e n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s5e s ALA 95 N -0.80 3.63 0.10 -1.41 0.00 -0.86 -1.36 121.76 121.06 1s5e s ALA 95 Ca 0.59 -0.75 -0.31 0.00 0.00 0.00 0.00 51.96 51.49 1s5e s ALA 95 Cb -0.58 -2.30 -0.07 0.00 0.00 0.00 0.00 23.12 20.16 1s5e s ALA 95 CO 0.59 -0.05 1.33 0.42 0.00 0.00 0.00 175.76 178.04 1s5e s ILE 96 N 0.78 3.51 -0.16 0.00 1.01 0.11 -0.30 121.20 126.16 1s5e s ILE 96 Ca 0.09 1.09 0.07 0.00 0.00 0.00 0.00 60.65 61.91 1s5e s ILE 96 Cb -0.13 -3.70 -0.14 0.00 0.01 0.00 0.00 42.46 38.50 1s5e s ILE 96 CO 0.02 0.09 -0.05 0.00 0.00 0.00 0.00 174.94 175.00 1s5e n ALA 97 N 3.89 1.64 -3.24 9.38 0.00 0.48 -4.83 120.51 127.82 1s5e n ALA 97 Ca 0.10 -0.83 -0.12 0.00 0.00 0.00 0.00 53.44 52.60 1s5e n ALA 97 Cb 0.43 0.03 -0.04 0.00 0.00 0.00 0.00 19.45 19.87 1s5e n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s5e s ALA 98 N -2.34 -1.30 0.01 0.00 0.00 -0.87 -4.98 121.76 112.27 1s5e s ALA 98 Ca -0.15 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.14 1s5e s ALA 98 Cb 0.05 0.71 -0.01 0.00 0.00 0.00 0.00 23.12 23.87 1s5e s ALA 98 CO 0.48 -0.67 -0.04 -1.50 0.00 0.00 0.00 175.76 174.04 1s5e s ILE 99 N -3.49 0.30 0.03 0.00 2.07 -1.26 -1.05 121.20 117.80 1s5e s ILE 99 Ca 0.00 -0.36 0.07 0.00 -1.41 0.00 0.00 60.65 58.96 1s5e s ILE 99 Cb 0.00 -0.30 -0.02 0.00 0.13 0.00 0.00 42.46 42.27 1s5e s ILE 99 CO -0.10 -0.04 -0.22 -0.94 -1.91 0.00 0.00 174.94 171.73 1s5e s SER 100 N -0.43 2.60 -0.04 4.50 1.04 -0.10 -5.00 113.70 116.27 1s5e s SER 100 Ca -0.02 -0.50 0.04 0.00 0.48 0.00 0.00 55.95 55.95 1s5e s SER 100 Cb -0.03 -0.24 -0.00 0.00 0.10 0.00 0.00 66.02 65.85 1s5e s SER 100 CO -0.00 0.20 -0.15 -0.04 0.98 0.00 0.00 173.24 174.23 1s5e s MET 101 N -1.02 1.59 0.02 4.02 -1.94 -1.26 -0.75 119.30 119.96 1s5e s MET 101 Ca 0.08 -0.54 0.03 0.00 -1.71 0.00 0.00 55.69 53.56 1s5e s MET 101 Cb -0.09 -1.40 -0.01 0.00 2.01 0.00 0.00 34.83 35.34 1s5e s MET 101 CO 0.01 0.21 -0.09 0.00 -0.01 0.00 0.00 175.02 175.14 1s5e s ALA 102 N 0.08 0.72 0.00 3.03 0.00 -1.26 -4.92 121.76 119.41 1s5e s ALA 102 Ca -0.04 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.36 1s5e s ALA 102 Cb -0.11 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.91 1s5e s ALA 102 CO 0.02 0.11 0.00 0.09 0.00 0.00 0.00 175.76 175.98