#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5d s PRO 2 N 0.00 3.21 0.03 -2.82 0.04 -1.26 -4.94 135.00 129.26 1s5d s PRO 2 Ca 0.00 1.98 0.23 0.00 0.04 0.00 0.00 61.00 63.25 1s5d s PRO 2 Cb 0.00 -2.17 0.07 0.00 0.04 0.00 0.00 34.50 32.44 1s5d s PRO 2 CO 0.00 -1.05 1.06 1.04 0.04 0.00 0.00 177.00 178.08 1s5d n GLN 3 N -1.11 0.19 -3.78 4.56 1.13 -1.26 -4.97 117.38 112.13 1s5d n GLN 3 Ca 0.11 -0.01 -0.08 0.00 -1.94 0.00 0.00 57.00 55.08 1s5d n GLN 3 Cb 0.47 -1.56 -0.02 0.00 0.11 0.00 0.00 30.24 29.24 1s5d n GLN 3 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1s5d s ASN 4 N -3.60 -0.30 0.33 1.08 2.20 -1.26 -5.06 114.94 108.33 1s5d s ASN 4 Ca 0.05 -0.51 0.05 0.00 -0.94 0.00 0.00 52.86 51.51 1s5d s ASN 4 Cb 0.15 0.68 0.59 0.00 -2.00 0.00 0.00 41.25 40.67 1s5d s ASN 4 CO 0.80 -1.24 1.84 -0.29 -2.94 0.00 0.00 177.10 175.27 1s5d h ILE 5 N 2.03 1.21 -0.32 0.54 2.10 -1.96 -1.95 117.51 119.17 1s5d h ILE 5 Ca -0.23 -0.91 -0.05 0.00 1.08 0.00 0.00 64.86 64.76 1s5d h ILE 5 Cb 1.26 1.10 -0.01 0.00 -1.09 0.00 0.00 36.82 38.07 1s5d h ILE 5 CO 0.28 0.30 0.02 0.74 -1.08 0.00 0.00 178.15 178.40 1s5d h THR 6 N 0.43 1.25 -0.24 2.19 2.02 -1.99 0.34 112.91 116.91 1s5d h THR 6 Ca 0.09 -0.90 -0.12 0.00 0.77 0.00 0.00 66.41 66.25 1s5d h THR 6 Cb 0.42 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1s5d h THR 6 CO 0.02 0.30 -0.33 0.44 0.37 0.00 0.00 175.52 176.31 1s5d h ASP 7 N 0.36 0.54 -0.14 4.18 3.32 -1.95 -2.41 116.42 120.32 1s5d h ASP 7 Ca 0.09 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 1s5d h ASP 7 Cb 0.41 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1s5d h ASP 7 CO 0.01 0.84 0.06 0.25 -1.72 0.00 0.00 179.24 178.68 1s5d h LEU 8 N 0.44 0.19 -1.24 1.55 6.46 -1.12 -2.91 115.31 118.69 1s5d h LEU 8 Ca 0.05 -0.15 0.11 0.00 -0.12 0.00 0.00 57.88 57.77 1s5d h LEU 8 Cb 0.80 -0.05 -0.07 0.00 -0.73 0.00 0.00 40.66 40.62 1s5d h LEU 8 CO 0.06 0.29 0.57 0.00 -0.62 0.00 0.00 178.44 178.74 1s5d n ALA 10 N -2.42 1.75 0.80 0.00 0.00 -0.92 -2.29 120.51 117.44 1s5d n ALA 10 Ca 0.16 0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.72 1s5d n ALA 10 Cb 0.36 -1.34 0.50 0.00 0.00 0.00 0.00 19.45 18.97 1s5d n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1s5d n GLU 11 N -1.90 0.01 -4.42 0.00 1.02 -0.65 -4.85 120.64 109.85 1s5d n GLU 11 Ca 0.03 0.10 -0.30 0.00 -0.02 0.00 0.00 57.16 56.97 1s5d n GLU 11 Cb 0.23 -1.51 -0.12 0.00 -0.02 0.00 0.00 31.44 30.02 1s5d n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1s5d s TYR 12 N -3.00 2.55 0.50 -0.32 1.51 -0.97 -5.13 117.35 112.49 1s5d s TYR 12 Ca 0.11 -0.26 -0.18 0.00 -1.01 0.00 0.00 57.07 55.74 1s5d s TYR 12 Cb 0.15 -1.39 -0.08 0.00 -0.11 0.00 0.00 41.96 40.54 1s5d s TYR 12 CO 0.43 0.34 0.99 -1.01 -1.11 0.00 0.00 175.55 175.20 1s5d s HIS 13 N -1.07 3.30 -1.45 2.71 3.76 -1.26 -4.24 115.29 117.03 1s5d s HIS 13 Ca 0.17 1.52 -0.01 0.00 -0.15 0.00 0.00 55.06 56.59 1s5d s HIS 13 Cb -0.11 -2.87 0.00 0.00 1.11 0.00 0.00 32.58 30.72 1s5d s HIS 13 CO 0.09 -0.47 0.15 0.09 -0.85 0.00 0.00 174.74 173.75 1s5d n ASN 14 N -1.34 -5.23 -4.63 1.40 5.03 -1.26 -4.97 115.26 104.26 1s5d n ASN 14 Ca 0.07 -0.08 -0.25 0.00 0.87 0.00 0.00 54.58 55.19 1s5d n ASN 14 Cb 0.54 -4.24 -0.09 0.00 -1.02 0.00 0.00 39.78 34.97 1s5d n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1s5d s THR 15 N -2.94 2.59 0.07 3.41 -4.23 -1.26 -0.76 115.64 112.52 1s5d s THR 15 Ca 0.07 -1.97 -0.23 0.00 -1.18 0.00 0.00 61.69 58.38 1s5d s THR 15 Cb -0.03 -2.80 0.06 0.00 1.34 0.00 0.00 72.50 71.06 1s5d s THR 15 CO 0.09 -0.19 0.56 0.00 -0.54 0.00 0.00 174.62 174.54 1s5d s GLN 16 N -3.72 1.11 -0.10 3.99 -2.07 -0.16 -4.87 119.66 113.84 1s5d s GLN 16 Ca 0.35 -0.26 -0.12 0.00 -1.82 0.00 0.00 55.36 53.50 1s5d s GLN 16 Cb 0.00 0.51 -0.05 0.00 -1.09 0.00 0.00 33.01 32.39 1s5d s GLN 16 CO 0.19 -0.42 0.29 0.42 -1.32 0.00 0.00 175.29 174.45 1s5d s ILE 17 N -2.73 5.27 -0.22 3.63 -1.09 -1.26 -1.04 121.20 123.75 1s5d s ILE 17 Ca -0.04 0.56 -0.05 0.00 -2.23 0.00 0.00 60.65 58.90 1s5d s ILE 17 Cb -0.00 -3.60 -0.01 0.00 -1.58 0.00 0.00 42.46 37.26 1s5d s ILE 17 CO -0.04 0.50 -0.02 -1.00 -1.23 0.00 0.00 174.94 173.16 1s5d s HIS 18 N -0.38 2.99 -0.42 3.97 3.76 0.31 -4.98 115.29 120.53 1s5d s HIS 18 Ca 0.18 -0.79 -0.21 0.00 -0.15 0.00 0.00 55.06 54.10 1s5d s HIS 18 Cb -0.14 -2.12 0.02 0.00 1.11 0.00 0.00 32.58 31.45 1s5d s HIS 18 CO 0.07 -0.48 0.64 0.99 -0.85 0.00 0.00 174.74 175.11 1s5d s THR 19 N 1.45 4.84 -0.19 1.30 2.01 -1.26 -1.20 115.64 122.59 1s5d s THR 19 Ca 0.05 0.19 -0.03 0.00 0.31 0.00 0.00 61.69 62.21 1s5d s THR 19 Cb -0.14 -4.18 -0.10 0.00 0.01 0.00 0.00 72.50 68.08 1s5d s THR 19 CO -0.01 -0.55 -0.20 0.18 -0.69 0.00 0.00 174.62 173.35 1s5d n LEU 20 N 6.23 2.31 -4.18 4.42 7.99 0.12 -5.01 117.00 128.87 1s5d n LEU 20 Ca -0.02 0.04 -0.30 0.00 -0.01 0.00 0.00 56.01 55.73 1s5d n LEU 20 Cb 0.48 -0.61 -0.07 0.00 -0.11 0.00 0.00 43.42 43.11 1s5d n LEU 20 CO 0.53 0.64 -0.38 0.59 -1.51 0.00 0.00 177.39 177.26 1s5d n ASN 21 N -3.39 0.27 -3.60 -1.43 3.02 -0.13 -4.94 115.26 105.06 1s5d n ASN 21 Ca -0.35 -1.19 -0.12 0.00 -0.03 0.00 0.00 54.58 52.90 1s5d n ASN 21 Cb 0.81 -2.11 -0.05 0.00 -0.61 0.00 0.00 39.78 37.82 1s5d n ASN 21 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1s5d s ASP 22 N -4.34 -0.33 0.69 6.41 2.15 -0.73 -4.89 116.67 115.63 1s5d s ASP 22 Ca 0.03 -0.08 -0.11 0.00 0.43 0.00 0.00 52.55 52.81 1s5d s ASP 22 Cb -0.01 0.48 0.01 0.00 -0.30 0.00 0.00 42.92 43.09 1s5d s ASP 22 CO 0.96 -0.78 1.06 -1.59 -0.17 0.00 0.00 175.17 174.65 1s5d s LYS 23 N -3.13 2.92 0.15 4.34 -2.85 -1.26 -0.87 119.74 119.03 1s5d s LYS 23 Ca -0.01 0.98 -0.30 0.00 -1.00 0.00 0.00 55.97 55.64 1s5d s LYS 23 Cb 0.00 -1.99 -0.07 0.00 -2.06 0.00 0.00 37.83 33.71 1s5d s LYS 23 CO -0.07 -1.12 1.22 0.42 0.10 0.00 0.00 175.35 175.90 1s5d s ILE 24 N -3.00 3.65 -0.03 3.79 1.01 -1.26 -4.70 121.20 120.66 1s5d s ILE 24 Ca 0.59 1.30 -0.14 0.00 0.00 0.00 0.00 60.65 62.40 1s5d s ILE 24 Cb -0.14 -3.83 -0.32 0.00 0.01 0.00 0.00 42.46 38.17 1s5d s ILE 24 CO 0.54 0.17 0.78 0.15 0.00 0.00 0.00 174.94 176.57 1s5d h PHE 25 N 5.82 0.79 -3.44 3.97 3.57 -0.90 -3.47 116.94 123.27 1s5d h PHE 25 Ca -0.43 -0.57 -0.12 0.00 3.53 0.00 0.00 57.97 60.37 1s5d h PHE 25 Cb 1.21 -0.03 -0.19 0.00 2.79 0.00 0.00 35.95 39.74 1s5d h PHE 25 CO 0.64 1.62 -0.39 -1.54 -2.23 0.00 0.00 178.31 176.41 1s5d s SER 26 N -7.36 -0.01 -0.07 0.41 1.04 -1.02 -4.97 113.70 101.71 1s5d s SER 26 Ca -0.14 -0.24 0.01 0.00 0.48 0.00 0.00 55.95 56.07 1s5d s SER 26 Cb 0.05 0.27 0.02 0.00 0.10 0.00 0.00 66.02 66.46 1s5d s SER 26 CO 0.88 -0.49 -0.09 -0.47 0.98 0.00 0.00 173.24 174.05 1s5d s TYR 27 N -2.03 1.27 -0.04 5.02 5.04 -1.26 -1.74 117.35 123.61 1s5d s TYR 27 Ca -0.09 -0.50 0.04 0.00 -2.44 0.00 0.00 57.07 54.08 1s5d s TYR 27 Cb -0.04 -1.01 0.00 0.00 0.35 0.00 0.00 41.96 41.27 1s5d s TYR 27 CO -0.01 -0.32 -0.15 0.99 -1.34 0.00 0.00 175.55 174.72 1s5d s THR 28 N 1.04 1.28 0.01 4.34 2.01 0.20 -5.00 115.64 119.51 1s5d s THR 28 Ca -0.08 -0.62 0.02 0.00 0.31 0.00 0.00 61.69 61.31 1s5d s THR 28 Cb -0.15 -1.11 -0.01 0.00 0.01 0.00 0.00 72.50 71.24 1s5d s THR 28 CO -0.00 0.38 -0.06 -1.83 -0.69 0.00 0.00 174.62 172.41 1s5d s GLU 29 N 0.16 0.44 -0.01 4.92 -1.05 -1.26 -0.64 118.70 121.26 1s5d s GLU 29 Ca -0.05 -0.33 0.04 0.00 -0.15 0.00 0.00 54.97 54.47 1s5d s GLU 29 Cb -0.12 -0.36 -0.01 0.00 -0.44 0.00 0.00 34.13 33.20 1s5d s GLU 29 CO 0.02 0.09 -0.12 0.45 0.95 0.00 0.00 175.26 176.65 1s5d s SER 30 N -0.50 1.45 0.00 0.83 0.15 -0.59 -5.01 113.70 110.04 1s5d s SER 30 Ca -0.01 -0.22 0.11 0.00 0.70 0.00 0.00 55.95 56.53 1s5d s SER 30 Cb -0.04 -0.17 0.18 0.00 -1.71 0.00 0.00 66.02 64.29 1s5d s SER 30 CO -0.00 0.15 1.03 0.00 1.20 0.00 0.00 173.24 175.62 1s5d n LEU 31 N 2.79 2.37 -4.77 3.45 -0.00 -1.26 -3.04 117.00 116.54 1s5d n LEU 31 Ca -0.14 -1.42 -0.39 0.00 -0.00 0.00 0.00 56.01 54.06 1s5d n LEU 31 Cb 0.56 -0.10 0.01 0.00 -0.00 0.00 0.00 43.42 43.88 1s5d n LEU 31 CO 0.25 0.52 0.99 0.00 -0.00 0.00 0.00 177.39 179.15 1s5d s ALA 32 N -0.97 3.20 0.24 1.47 0.00 -1.26 -4.81 121.76 119.63 1s5d s ALA 32 Ca 0.18 1.31 -0.31 0.00 0.00 0.00 0.00 51.96 53.13 1s5d s ALA 32 Cb 0.11 -3.52 -0.12 0.00 0.00 0.00 0.00 23.12 19.58 1s5d s ALA 32 CO 0.15 -1.00 1.69 0.41 0.00 0.00 0.00 175.76 177.01 1s5d n GLY 33 N 0.63 1.49 3.17 0.00 0.00 -1.26 -1.05 105.19 108.17 1s5d n GLY 33 Ca 0.05 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.64 1s5d n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s5d n LYS 34 N 3.38 -0.33 -2.57 1.61 4.01 -1.26 -4.82 118.16 118.18 1s5d n LYS 34 Ca 0.13 0.08 -0.12 0.00 -0.51 0.00 0.00 58.31 57.90 1s5d n LYS 34 Cb 0.36 -3.66 0.03 0.00 -0.51 0.00 0.00 35.03 31.25 1s5d n LYS 34 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1s5d n ARG 35 N -1.67 2.21 -2.69 1.97 5.12 -0.21 -4.97 116.66 116.41 1s5d n ARG 35 Ca 0.00 -3.73 -0.42 0.00 -1.93 0.00 0.00 57.85 51.77 1s5d n ARG 35 Cb 0.08 -1.74 -0.02 0.00 -1.16 0.00 0.00 32.46 29.62 1s5d n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1s5d s GLU 36 N -3.53 3.76 0.24 5.56 8.01 -1.16 -4.27 118.70 127.31 1s5d s GLU 36 Ca 0.35 -1.67 -0.11 0.00 0.01 0.00 0.00 54.97 53.56 1s5d s GLU 36 Cb 0.39 -5.27 -0.01 0.00 -4.31 0.00 0.00 34.13 24.93 1s5d s GLU 36 CO -0.02 -2.07 0.43 0.00 0.01 0.00 0.00 175.26 173.61 1s5d s MET 37 N 3.86 1.52 0.10 1.61 0.23 -1.17 -4.26 119.30 121.19 1s5d s MET 37 Ca 0.45 -1.32 0.08 0.00 -1.03 0.00 0.00 55.69 53.86 1s5d s MET 37 Cb -0.00 0.44 -0.03 0.00 -1.53 0.00 0.00 34.83 33.70 1s5d s MET 37 CO -0.04 -0.62 -0.20 0.00 -2.03 0.00 0.00 175.02 172.13 1s5d s ALA 38 N -4.00 1.75 -0.04 3.16 0.00 -1.23 -1.54 121.76 119.86 1s5d s ALA 38 Ca 0.25 -1.24 0.01 0.00 0.00 0.00 0.00 51.96 50.98 1s5d s ALA 38 Cb 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.92 1s5d s ALA 38 CO 0.10 0.33 -0.06 0.42 0.00 0.00 0.00 175.76 176.54 1s5d s ILE 39 N -1.27 0.61 0.16 0.00 1.01 0.19 -1.16 121.20 120.74 1s5d s ILE 39 Ca 0.06 -0.20 0.10 0.00 0.00 0.00 0.00 60.65 60.62 1s5d s ILE 39 Cb -0.10 -0.61 -0.04 0.00 0.01 0.00 0.00 42.46 41.73 1s5d s ILE 39 CO 0.04 0.23 -0.22 0.27 0.00 0.00 0.00 174.94 175.27 1s5d s ILE 40 N 0.70 2.54 0.15 2.92 -4.36 -0.22 -0.63 121.20 122.30 1s5d s ILE 40 Ca -0.10 -1.80 0.06 0.00 -0.26 0.00 0.00 60.65 58.56 1s5d s ILE 40 Cb -0.13 -2.19 -0.04 0.00 1.25 0.00 0.00 42.46 41.35 1s5d s ILE 40 CO 0.01 -0.01 -0.13 0.42 0.24 0.00 0.00 174.94 175.46 1s5d s THR 41 N -1.39 1.41 0.35 8.37 -4.23 -0.71 -1.01 115.64 118.42 1s5d s THR 41 Ca 0.19 -1.96 0.09 0.00 -1.18 0.00 0.00 61.69 58.83 1s5d s THR 41 Cb -0.09 -1.77 -0.05 0.00 1.34 0.00 0.00 72.50 71.93 1s5d s THR 41 CO 0.09 -0.56 0.07 -0.36 -0.54 0.00 0.00 174.62 173.33 1s5d s PHE 42 N -2.70 2.61 0.27 3.99 0.40 -0.20 -0.20 117.98 122.15 1s5d s PHE 42 Ca 0.15 -0.44 0.30 0.00 -0.60 0.00 0.00 56.93 56.35 1s5d s PHE 42 Cb -0.02 -1.59 1.40 0.00 0.51 0.00 0.00 43.02 43.32 1s5d s PHE 42 CO 0.03 0.40 2.02 1.57 0.70 0.00 0.00 175.22 179.94 1s5d h LYS 43 N 1.68 0.00 0.00 0.44 2.10 -1.89 -0.87 116.57 118.03 1s5d h LYS 43 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1s5d h LYS 43 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1s5d h LYS 43 CO 0.66 0.10 0.00 0.27 -2.00 0.00 0.00 179.45 178.48 1s5d n ASN 44 N -3.34 0.00 0.00 7.07 0.23 -1.26 -4.88 115.26 113.08 1s5d n ASN 44 Ca -0.01 -1.40 0.00 0.00 -0.53 0.00 0.00 54.58 52.64 1s5d n ASN 44 Cb 0.29 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.99 1s5d n ASN 44 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1s5d n GLY 45 N 0.40 1.73 3.74 4.83 0.00 -0.33 -5.03 105.19 110.53 1s5d n GLY 45 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1s5d n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s5d s ALA 46 N -2.42 3.79 -0.04 4.61 0.00 -1.25 -4.77 121.76 121.67 1s5d s ALA 46 Ca 0.00 1.51 0.04 0.00 0.00 0.00 0.00 51.96 53.51 1s5d s ALA 46 Cb 0.00 -3.64 -0.00 0.00 0.00 0.00 0.00 23.12 19.47 1s5d s ALA 46 CO 0.00 -0.90 -0.18 0.99 0.00 0.00 0.00 175.76 175.68 1s5d s THR 47 N 0.51 1.47 0.04 0.00 2.01 -1.26 -1.04 115.64 117.38 1s5d s THR 47 Ca 0.67 -0.74 0.01 0.00 0.31 0.00 0.00 61.69 61.94 1s5d s THR 47 Cb -0.47 -1.26 -0.02 0.00 0.01 0.00 0.00 72.50 70.76 1s5d s THR 47 CO 0.40 0.42 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.33 1s5d s PHE 48 N 0.02 0.55 0.21 4.92 0.08 -0.18 -4.15 117.98 119.42 1s5d s PHE 48 Ca -0.04 -0.57 0.10 0.00 0.12 0.00 0.00 56.93 56.54 1s5d s PHE 48 Cb -0.12 -0.34 -0.04 0.00 -0.57 0.00 0.00 43.02 41.95 1s5d s PHE 48 CO 0.02 -0.14 -0.14 1.14 -0.10 0.00 0.00 175.22 176.01 1s5d s GLN 49 N -1.83 1.89 -0.29 0.44 -2.07 -0.61 -1.05 119.66 116.13 1s5d s GLN 49 Ca -0.09 -1.43 -0.12 0.00 -1.82 0.00 0.00 55.36 51.91 1s5d s GLN 49 Cb -0.08 -2.02 -0.04 0.00 -1.09 0.00 0.00 33.01 29.78 1s5d s GLN 49 CO -0.01 0.40 0.21 0.08 -1.32 0.00 0.00 175.29 174.65 1s5d s VAL 50 N -1.89 5.30 0.54 3.63 1.01 -0.31 -0.34 120.40 128.35 1s5d s VAL 50 Ca 0.25 0.09 -0.21 0.00 0.00 0.00 0.00 61.98 62.10 1s5d s VAL 50 Cb -0.08 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 1s5d s VAL 50 CO 0.14 0.19 1.32 -1.61 0.00 0.00 0.00 175.10 175.14 1s5d s GLU 51 N 1.76 3.17 0.18 2.72 2.02 -1.26 -3.49 118.70 123.80 1s5d s GLU 51 Ca 0.07 2.15 -0.33 0.00 0.02 0.00 0.00 54.97 56.88 1s5d s GLU 51 Cb -0.16 -2.24 -0.13 0.00 0.10 0.00 0.00 34.13 31.70 1s5d s GLU 51 CO 0.11 -1.14 1.60 0.28 0.02 0.00 0.00 175.26 176.13 1s5d n VAL 52 N -1.04 0.11 -1.72 2.63 0.31 -1.26 -4.90 118.33 112.46 1s5d n VAL 52 Ca 0.10 -0.03 -0.43 0.00 -0.01 0.00 0.00 64.34 63.98 1s5d n VAL 52 Cb 0.46 -1.64 -0.02 0.00 -0.91 0.00 0.00 33.84 31.72 1s5d n VAL 52 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1s5d n PRO 53 N 3.38 2.57 -0.47 5.55 -0.02 -1.26 -4.95 135.00 139.80 1s5d n PRO 53 Ca 0.16 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.56 1s5d n PRO 53 Cb 0.31 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.09 1s5d n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s5d n GLY 54 N 2.70 2.87 0.17 -1.23 0.00 -1.26 -5.03 105.19 103.40 1s5d n GLY 54 Ca 0.12 -0.95 0.14 0.00 0.00 0.00 0.00 46.02 45.32 1s5d n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1s5d h SER 55 N 0.00 0.00 0.55 1.61 4.64 -2.03 -1.45 113.55 116.88 1s5d h SER 55 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s5d h SER 55 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1s5d h SER 55 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1s5d n GLN 56 N -2.49 0.14 -4.31 4.77 0.00 -1.26 -4.80 117.38 109.44 1s5d n GLN 56 Ca 0.02 0.12 -0.34 0.00 0.00 0.00 0.00 57.00 56.80 1s5d n GLN 56 Cb 0.26 -1.50 -0.09 0.00 0.00 0.00 0.00 30.24 28.91 1s5d n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1s5d s HIS 57 N -2.80 3.14 0.44 2.61 3.76 -0.55 -5.12 115.29 116.78 1s5d s HIS 57 Ca 0.15 0.15 -0.01 0.00 -0.15 0.00 0.00 55.06 55.19 1s5d s HIS 57 Cb 0.14 -1.73 -0.01 0.00 1.11 0.00 0.00 32.58 32.08 1s5d s HIS 57 CO 0.35 0.47 0.68 0.96 -0.85 0.00 0.00 174.74 176.35 1s5d s ILE 58 N -1.01 4.32 0.27 0.60 -4.36 -1.26 -4.89 121.20 114.87 1s5d s ILE 58 Ca 0.17 -0.37 -0.01 0.00 -0.26 0.00 0.00 60.65 60.18 1s5d s ILE 58 Cb -0.11 -3.61 0.26 0.00 1.25 0.00 0.00 42.46 40.25 1s5d s ILE 58 CO 0.07 -0.45 1.83 0.44 0.24 0.00 0.00 174.94 177.07 1s5d h ASP 59 N 0.41 0.86 0.15 4.36 3.32 -2.00 -0.74 116.42 122.79 1s5d h ASP 59 Ca -0.47 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1s5d h ASP 59 Cb 1.24 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1s5d h ASP 59 CO 0.59 0.48 0.00 0.77 -1.72 0.00 0.00 179.24 179.35 1s5d h SER 60 N 0.95 0.00 1.39 6.45 4.64 -2.05 -2.18 113.55 122.74 1s5d h SER 60 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1s5d h SER 60 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1s5d h SER 60 CO -0.25 0.00 -0.28 1.56 -0.87 0.00 0.00 176.83 176.99 1s5d h GLN 61 N 0.00 0.00 -0.24 4.77 4.20 -1.51 -3.40 115.11 118.93 1s5d h GLN 61 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1s5d h GLN 61 Cb 0.08 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1s5d h GLN 61 CO 0.00 0.00 0.15 0.87 -0.67 0.00 0.00 178.83 179.18 1s5d h LYS 62 N 0.00 0.32 -0.28 1.46 1.79 -1.48 0.19 116.57 118.57 1s5d h LYS 62 Ca 0.00 -0.03 -0.08 0.00 -2.18 0.00 0.00 60.65 58.36 1s5d h LYS 62 Cb 0.83 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.40 1s5d h LYS 62 CO 0.00 0.25 -0.16 1.57 -1.08 0.00 0.00 179.45 180.03 1s5d h LYS 63 N 0.30 0.49 -0.19 3.15 2.10 -1.79 -2.77 116.57 117.87 1s5d h LYS 63 Ca 0.09 -0.15 -0.15 0.00 -2.00 0.00 0.00 60.65 58.43 1s5d h LYS 63 Cb 0.01 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.28 1s5d h LYS 63 CO -0.02 0.64 -0.52 0.00 -2.00 0.00 0.00 179.45 177.55 1s5d h ALA 64 N 1.38 0.73 -0.64 0.07 0.00 -1.61 -1.14 119.26 118.05 1s5d h ALA 64 Ca 0.08 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 1s5d h ALA 64 Cb 0.54 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1s5d h ALA 64 CO 0.03 0.68 0.26 0.82 0.00 0.00 0.00 179.25 181.05 1s5d h ILE 65 N 0.43 1.24 -0.55 0.00 2.04 -0.81 -0.69 117.51 119.16 1s5d h ILE 65 Ca 0.01 -0.73 -0.11 0.00 1.00 0.00 0.00 64.86 65.03 1s5d h ILE 65 Cb 1.06 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 1s5d h ILE 65 CO 0.10 0.29 -0.09 -0.33 0.00 0.00 0.00 178.15 178.12 1s5d h GLU 66 N 0.91 1.04 -0.72 2.37 4.39 -1.31 -2.50 114.58 118.75 1s5d h GLU 66 Ca 0.22 -0.37 -0.04 0.00 0.34 0.00 0.00 59.36 59.50 1s5d h GLU 66 Cb 0.20 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 1s5d h GLU 66 CO -0.02 1.07 0.27 -0.09 -1.16 0.00 0.00 179.01 179.08 1s5d h ARG 67 N 0.92 1.08 -0.77 2.33 2.43 -1.00 -2.10 114.38 117.27 1s5d h ARG 67 Ca 0.15 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1s5d h ARG 67 Cb 0.66 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 30.00 1s5d h ARG 67 CO 0.05 0.90 0.41 1.98 -1.51 0.00 0.00 179.97 181.79 1s5d h MET 68 N 1.03 1.08 -0.44 0.20 4.05 -0.85 0.11 114.93 120.11 1s5d h MET 68 Ca 0.24 -0.14 -0.07 0.00 -0.28 0.00 0.00 59.70 59.45 1s5d h MET 68 Cb 0.23 -0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 30.80 1s5d h MET 68 CO -0.02 0.82 -0.02 0.87 0.23 0.00 0.00 176.91 178.79 1s5d h LYS 69 N 1.07 0.73 -0.48 0.39 1.57 -1.12 -0.21 116.57 118.52 1s5d h LYS 69 Ca 0.27 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1s5d h LYS 69 Cb 0.06 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1s5d h LYS 69 CO -0.04 0.75 0.30 -0.44 -0.57 0.00 0.00 179.45 179.46 1s5d h ASP 70 N 0.68 0.57 -0.46 0.86 3.32 -0.55 -1.84 116.42 119.01 1s5d h ASP 70 Ca 0.13 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 1s5d h ASP 70 Cb 0.45 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1s5d h ASP 70 CO 0.02 0.45 0.07 0.74 -1.72 0.00 0.00 179.24 178.79 1s5d h THR 71 N 0.65 1.25 -0.61 0.35 2.02 -0.24 -2.01 112.91 114.33 1s5d h THR 71 Ca 0.17 -0.92 -0.09 0.00 0.77 0.00 0.00 66.41 66.34 1s5d h THR 71 Cb -0.03 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 1s5d h THR 71 CO -0.03 0.32 0.04 -0.07 0.37 0.00 0.00 175.52 176.15 1s5d h LEU 72 N 0.64 1.02 0.09 2.58 3.38 -0.96 0.08 115.31 122.14 1s5d h LEU 72 Ca 0.14 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1s5d h LEU 72 Cb 0.40 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1s5d h LEU 72 CO 0.01 1.06 -0.05 -0.09 0.09 0.00 0.00 178.44 179.46 1s5d h ARG 73 N 0.95 -0.12 -0.17 1.13 2.43 -1.17 -0.42 114.38 117.01 1s5d h ARG 73 Ca 0.18 0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 59.20 1s5d h ARG 73 Cb 0.51 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1s5d h ARG 73 CO 0.02 -0.06 -0.54 0.97 -1.51 0.00 0.00 179.97 178.85 1s5d h ILE 74 N -0.15 1.33 -0.50 1.20 6.09 -1.28 -1.20 117.51 123.00 1s5d h ILE 74 Ca -0.01 -1.80 0.06 0.00 -1.37 0.00 0.00 64.86 61.74 1s5d h ILE 74 Cb 0.11 1.79 -0.05 0.00 0.47 0.00 0.00 36.82 39.14 1s5d h ILE 74 CO 0.02 0.55 0.20 0.00 -3.07 0.00 0.00 178.15 175.86 1s5d h ALA 75 N 1.02 0.62 -0.11 0.18 0.00 -0.86 -0.80 119.26 119.31 1s5d h ALA 75 Ca 0.01 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1s5d h ALA 75 Cb 1.07 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1s5d h ALA 75 CO 0.10 -0.18 0.06 -0.92 0.00 0.00 0.00 179.25 178.31 1s5d h TYR 76 N 0.40 0.15 -0.07 0.00 3.20 -0.86 -1.32 116.97 118.47 1s5d h TYR 76 Ca 0.23 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.02 1s5d h TYR 76 Cb 0.22 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1s5d h TYR 76 CO -0.14 0.15 -0.32 -0.07 -1.64 0.00 0.00 178.16 176.14 1s5d h LEU 77 N 0.10 0.13 -1.23 2.82 3.38 -0.83 -2.42 115.31 117.26 1s5d h LEU 77 Ca 0.04 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1s5d h LEU 77 Cb 0.05 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1s5d h LEU 77 CO -0.01 0.46 -0.02 0.35 0.09 0.00 0.00 178.44 179.31 1s5d n THR 78 N -4.12 0.00 -2.66 0.22 -2.24 -0.34 -4.95 114.28 100.19 1s5d n THR 78 Ca -0.01 -0.32 -0.21 0.00 -2.27 0.00 0.00 64.05 61.23 1s5d n THR 78 Cb 0.39 0.80 0.01 0.00 -2.10 0.00 0.00 70.33 69.43 1s5d n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1s5d n GLU 79 N 0.49 -3.05 -2.07 -0.78 1.02 -0.77 -4.94 120.64 110.55 1s5d n GLU 79 Ca 0.17 0.96 -0.41 0.00 -0.02 0.00 0.00 57.16 57.86 1s5d n GLU 79 Cb 0.43 -5.70 -0.03 0.00 -0.02 0.00 0.00 31.44 26.12 1s5d n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1s5d s ALA 80 N -3.10 3.61 -0.03 0.62 0.00 -0.57 -4.74 121.76 117.56 1s5d s ALA 80 Ca 0.13 1.26 -0.30 0.00 0.00 0.00 0.00 51.96 53.05 1s5d s ALA 80 Cb -0.06 -3.54 -0.06 0.00 0.00 0.00 0.00 23.12 19.46 1s5d s ALA 80 CO 0.16 -0.69 1.53 0.21 0.00 0.00 0.00 175.76 176.97 1s5d s LYS 81 N -0.06 4.22 -0.18 0.00 2.20 -1.26 -4.27 119.74 120.39 1s5d s LYS 81 Ca 0.60 2.08 -0.24 0.00 -0.36 0.00 0.00 55.97 58.05 1s5d s LYS 81 Cb -0.40 -3.76 -0.02 0.00 -1.51 0.00 0.00 37.83 32.14 1s5d s LYS 81 CO 0.40 -0.72 0.77 0.08 -0.36 0.00 0.00 175.35 175.52 1s5d s VAL 82 N 3.20 4.92 -0.02 4.02 1.01 -0.05 -3.26 120.40 130.22 1s5d s VAL 82 Ca 0.68 1.50 -0.02 0.00 0.00 0.00 0.00 61.98 64.14 1s5d s VAL 82 Cb -0.32 -4.08 -0.01 0.00 0.00 0.00 0.00 36.38 31.96 1s5d s VAL 82 CO 0.27 0.04 0.20 -0.08 0.00 0.00 0.00 175.10 175.54 1s5d h GLU 83 N 7.41 -0.07 -4.52 2.72 4.81 -1.08 -0.10 114.58 123.75 1s5d h GLU 83 Ca -0.29 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.70 1s5d h GLU 83 Cb 1.13 0.02 -0.19 0.00 0.63 0.00 0.00 28.75 30.33 1s5d h GLU 83 CO 0.82 -0.05 -0.72 0.15 -0.73 0.00 0.00 179.01 178.49 1s5d s LYS 84 N -1.64 0.59 -0.01 1.92 1.02 -1.09 -0.70 119.74 119.84 1s5d s LYS 84 Ca -0.01 -0.92 0.08 0.00 0.02 0.00 0.00 55.97 55.14 1s5d s LYS 84 Cb 0.00 -0.21 -0.02 0.00 -0.52 0.00 0.00 37.83 37.08 1s5d s LYS 84 CO 0.03 0.02 -0.25 -0.51 -0.92 0.00 0.00 175.35 173.72 1s5d s LEU 85 N -2.02 2.13 -0.22 3.17 1.43 -0.34 -1.12 118.68 121.72 1s5d s LEU 85 Ca -0.04 -0.47 -0.10 0.00 -1.03 0.00 0.00 54.13 52.49 1s5d s LEU 85 Cb -0.05 -1.35 -0.05 0.00 0.03 0.00 0.00 46.19 44.77 1s5d s LEU 85 CO -0.02 0.31 0.13 0.00 0.23 0.00 0.00 176.35 177.01 1s5d s VAL 87 N 0.82 0.50 -0.12 0.00 -7.23 -0.21 -0.49 120.40 113.66 1s5d s VAL 87 Ca 0.07 -1.48 -0.22 0.00 -1.81 0.00 0.00 61.98 58.53 1s5d s VAL 87 Cb -0.13 -1.09 -0.03 0.00 0.56 0.00 0.00 36.38 35.69 1s5d s VAL 87 CO 0.02 -0.67 0.68 0.26 -0.31 0.00 0.00 175.10 175.08 1s5d s TRP 88 N -2.58 3.49 -1.15 2.82 0.51 0.37 -0.99 118.94 121.41 1s5d s TRP 88 Ca -0.00 1.12 0.19 0.00 -2.12 0.00 0.00 56.10 55.29 1s5d s TRP 88 Cb -0.02 -2.81 0.72 0.00 -0.81 0.00 0.00 33.47 30.55 1s5d s TRP 88 CO -0.03 -0.03 1.63 0.27 -0.51 0.00 0.00 176.95 178.28 1s5d n ASN 89 N 4.34 4.75 -1.42 2.95 2.04 0.06 -2.22 115.26 125.76 1s5d n ASN 89 Ca -0.01 -2.44 0.05 0.00 -0.44 0.00 0.00 54.58 51.74 1s5d n ASN 89 Cb 0.51 -0.58 0.32 0.00 -2.53 0.00 0.00 39.78 37.50 1s5d n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 1s5d n ASN 90 N 1.13 4.61 -4.16 0.53 6.94 -1.26 -4.91 115.26 118.15 1s5d n ASN 90 Ca 0.26 -3.06 -0.17 0.00 -0.02 0.00 0.00 54.58 51.58 1s5d n ASN 90 Cb 0.88 -0.63 -0.12 0.00 -2.36 0.00 0.00 39.78 37.56 1s5d n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1s5d s LYS 91 N -2.86 0.79 -0.16 -3.83 -0.14 -1.25 -5.09 119.74 107.19 1s5d s LYS 91 Ca 0.49 -0.96 -0.01 0.00 -1.36 0.00 0.00 55.97 54.12 1s5d s LYS 91 Cb 0.39 -0.71 0.04 0.00 -1.68 0.00 0.00 37.83 35.87 1s5d s LYS 91 CO 0.12 0.15 -0.03 0.99 -0.76 0.00 0.00 175.35 175.81 1s5d s THR 92 N -1.49 0.95 0.86 2.17 2.01 -1.26 -2.59 115.64 116.29 1s5d s THR 92 Ca -0.02 -0.54 -0.11 0.00 0.31 0.00 0.00 61.69 61.34 1s5d s THR 92 Cb -0.09 -1.17 0.11 0.00 0.01 0.00 0.00 72.50 71.37 1s5d s THR 92 CO 0.02 0.10 1.09 -2.16 -0.69 0.00 0.00 174.62 172.98 1s5d s PRO 93 N 1.70 1.51 0.39 4.92 0.04 -1.26 -5.07 135.00 137.24 1s5d s PRO 93 Ca 0.01 1.02 -0.26 0.00 0.04 0.00 0.00 61.00 61.81 1s5d s PRO 93 Cb -0.15 -1.82 -0.11 0.00 0.04 0.00 0.00 34.50 32.46 1s5d s PRO 93 CO -0.07 -2.12 1.27 0.72 0.04 0.00 0.00 177.00 176.83 1s5d n HIS 94 N -3.83 2.16 -3.72 0.56 8.25 -1.07 -4.57 115.22 113.00 1s5d n HIS 94 Ca 0.08 0.52 -0.35 0.00 -0.26 0.00 0.00 57.72 57.71 1s5d n HIS 94 Cb 0.54 -2.39 -0.08 0.00 1.12 0.00 0.00 29.99 29.19 1s5d n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s5d s ALA 95 N -1.16 3.70 0.06 -1.41 0.00 -0.94 -1.57 121.76 120.43 1s5d s ALA 95 Ca 0.59 -0.66 -0.31 0.00 0.00 0.00 0.00 51.96 51.59 1s5d s ALA 95 Cb -0.53 -2.18 -0.06 0.00 0.00 0.00 0.00 23.12 20.35 1s5d s ALA 95 CO 0.60 0.20 1.25 0.42 0.00 0.00 0.00 175.76 178.22 1s5d s ILE 96 N 0.24 3.88 -0.20 0.00 1.01 0.53 -0.48 121.20 126.18 1s5d s ILE 96 Ca 0.10 1.33 0.07 0.00 0.00 0.00 0.00 60.65 62.15 1s5d s ILE 96 Cb -0.11 -3.86 -0.17 0.00 0.01 0.00 0.00 42.46 38.33 1s5d s ILE 96 CO -0.01 0.09 -0.10 0.00 0.00 0.00 0.00 174.94 174.93 1s5d n ALA 97 N 4.13 1.55 -3.17 9.38 0.00 0.36 -4.84 120.51 127.92 1s5d n ALA 97 Ca 0.10 -1.00 -0.12 0.00 0.00 0.00 0.00 53.44 52.43 1s5d n ALA 97 Cb 0.45 -0.04 -0.04 0.00 0.00 0.00 0.00 19.45 19.82 1s5d n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s5d s ALA 98 N -2.42 -1.17 0.02 0.00 0.00 -1.01 -4.98 121.76 112.19 1s5d s ALA 98 Ca -0.21 0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.01 1s5d s ALA 98 Cb 0.07 0.64 -0.01 0.00 0.00 0.00 0.00 23.12 23.81 1s5d s ALA 98 CO 0.57 -0.62 -0.06 -1.50 0.00 0.00 0.00 175.76 174.14 1s5d s ILE 99 N -3.37 0.47 -0.03 0.00 2.07 -1.26 -1.37 121.20 117.70 1s5d s ILE 99 Ca -0.00 -0.62 0.05 0.00 -1.41 0.00 0.00 60.65 58.66 1s5d s ILE 99 Cb 0.00 -0.47 -0.01 0.00 0.13 0.00 0.00 42.46 42.12 1s5d s ILE 99 CO -0.09 -0.12 -0.17 -0.94 -1.91 0.00 0.00 174.94 171.71 1s5d s SER 100 N -0.81 2.11 -0.08 4.50 1.04 -0.27 -5.00 113.70 115.19 1s5d s SER 100 Ca -0.04 -0.34 0.05 0.00 0.48 0.00 0.00 55.95 56.10 1s5d s SER 100 Cb -0.06 -0.49 -0.00 0.00 0.10 0.00 0.00 66.02 65.57 1s5d s SER 100 CO 0.00 0.17 -0.24 -0.04 0.98 0.00 0.00 173.24 174.11 1s5d s MET 101 N -0.09 2.78 -0.03 4.02 -1.94 -1.26 -0.58 119.30 122.20 1s5d s MET 101 Ca -0.01 -0.87 -0.26 0.00 -1.71 0.00 0.00 55.69 52.84 1s5d s MET 101 Cb -0.10 -2.20 0.06 0.00 2.01 0.00 0.00 34.83 34.59 1s5d s MET 101 CO 0.01 0.26 0.56 0.00 -0.01 0.00 0.00 175.02 175.85 1s5d s ALA 102 N 0.13 -1.45 0.00 3.03 0.00 -1.20 -4.86 121.76 117.41 1s5d s ALA 102 Ca -0.12 0.97 0.00 0.00 0.00 0.00 0.00 51.96 52.81 1s5d s ALA 102 Cb -0.16 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.02 1s5d s ALA 102 CO 0.06 -0.35 0.00 0.09 0.00 0.00 0.00 175.76 175.56