#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 3.59 0.00 -2.82 0.04 -1.26 -4.96 135.00 129.58 1s5f s PRO 2 Ca 0.00 1.47 0.26 0.00 0.04 0.00 0.00 61.00 62.77 1s5f s PRO 2 Cb 0.00 -2.05 0.72 0.00 0.04 0.00 0.00 34.50 33.21 1s5f s PRO 2 CO 0.00 -0.63 1.55 1.04 0.04 0.00 0.00 177.00 179.00 1s5f n GLN 3 N -1.15 0.41 -3.83 4.56 1.13 -1.26 -4.99 117.38 112.25 1s5f n GLN 3 Ca 0.10 -0.23 -0.07 0.00 -1.94 0.00 0.00 57.00 54.87 1s5f n GLN 3 Cb 0.52 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 29.39 1s5f n GLN 3 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1s5f s ASN 4 N -2.74 -0.03 0.19 1.08 2.20 -1.26 -5.07 114.94 109.31 1s5f s ASN 4 Ca 0.18 -0.92 -0.05 0.00 -0.94 0.00 0.00 52.86 51.13 1s5f s ASN 4 Cb 0.19 0.72 0.10 0.00 -2.00 0.00 0.00 41.25 40.25 1s5f s ASN 4 CO 0.59 -1.41 1.53 -0.29 -2.94 0.00 0.00 177.10 174.59 1s5f h ILE 5 N 2.00 1.29 -0.25 0.54 2.10 -1.96 -2.74 117.51 118.49 1s5f h ILE 5 Ca -0.29 -1.61 0.04 0.00 1.08 0.00 0.00 64.86 64.08 1s5f h ILE 5 Cb 1.24 1.53 -0.03 0.00 -1.09 0.00 0.00 36.82 38.46 1s5f h ILE 5 CO 0.37 0.52 0.03 0.74 -1.08 0.00 0.00 178.15 178.73 1s5f h THR 6 N 0.57 0.87 -0.19 2.19 2.02 -2.00 -1.85 112.91 114.52 1s5f h THR 6 Ca 0.04 -0.04 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 1s5f h THR 6 Cb 0.97 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 1s5f h THR 6 CO 0.09 0.02 -0.26 0.44 0.37 0.00 0.00 175.52 176.18 1s5f h ASP 7 N 0.12 0.36 -0.46 4.18 3.32 -1.99 -2.72 116.42 119.24 1s5f h ASP 7 Ca 0.11 -0.12 0.01 0.00 0.02 0.00 0.00 57.03 57.06 1s5f h ASP 7 Cb 0.13 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1s5f h ASP 7 CO -0.16 0.63 0.29 0.25 -1.72 0.00 0.00 179.24 178.52 1s5f h LEU 8 N 0.32 0.49 -1.64 1.55 6.46 -1.10 -2.68 115.31 118.71 1s5f h LEU 8 Ca 0.05 -0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.80 1s5f h LEU 8 Cb 0.64 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.44 1s5f h LEU 8 CO 0.05 0.35 0.19 0.00 -0.62 0.00 0.00 178.44 178.41 1s5f h ALA 10 N 1.77 1.00 0.00 0.00 0.00 -1.18 -2.76 119.26 118.09 1s5f h ALA 10 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1s5f h ALA 10 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1s5f h ALA 10 CO -0.02 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.62 1s5f n GLU 11 N -2.58 0.04 -4.33 0.00 1.02 -1.00 -4.88 120.64 108.91 1s5f n GLU 11 Ca 0.02 0.01 -0.29 0.00 -0.02 0.00 0.00 57.16 56.88 1s5f n GLU 11 Cb 0.30 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.11 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 -2.96 2.47 0.44 -0.32 1.51 -1.04 -5.13 117.35 112.31 1s5f s TYR 12 Ca 0.15 -0.29 -0.13 0.00 -1.01 0.00 0.00 57.07 55.79 1s5f s TYR 12 Cb 0.19 -1.30 -0.07 0.00 -0.11 0.00 0.00 41.96 40.66 1s5f s TYR 12 CO 0.51 0.40 0.84 -1.01 -1.11 0.00 0.00 175.55 175.18 1s5f s HIS 13 N -1.21 3.46 -1.73 2.71 3.76 -1.26 -4.29 115.29 116.72 1s5f s HIS 13 Ca 0.18 1.20 0.00 0.00 -0.15 0.00 0.00 55.06 56.29 1s5f s HIS 13 Cb -0.10 -2.57 0.00 0.00 1.11 0.00 0.00 32.58 31.02 1s5f s HIS 13 CO 0.10 -0.18 0.00 0.09 -0.85 0.00 0.00 174.74 173.90 1s5f n ASN 14 N -1.32 -5.45 -4.73 1.40 5.03 -1.26 -4.98 115.26 103.96 1s5f n ASN 14 Ca 0.04 0.10 -0.23 0.00 0.87 0.00 0.00 54.58 55.36 1s5f n ASN 14 Cb 0.54 -4.52 -0.06 0.00 -1.02 0.00 0.00 39.78 34.71 1s5f n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1s5f s THR 15 N -2.89 3.01 -0.07 3.41 -4.23 -1.26 -0.86 115.64 112.76 1s5f s THR 15 Ca 0.00 -1.71 -0.31 0.00 -1.18 0.00 0.00 61.69 58.49 1s5f s THR 15 Cb 0.00 -2.97 0.08 0.00 1.34 0.00 0.00 72.50 70.95 1s5f s THR 15 CO 0.00 -0.19 0.72 0.00 -0.54 0.00 0.00 174.62 174.62 1s5f s GLN 16 N -3.84 0.99 0.27 3.99 -2.07 -0.34 -4.85 119.66 113.82 1s5f s GLN 16 Ca 0.37 0.24 -0.16 0.00 -1.82 0.00 0.00 55.36 54.00 1s5f s GLN 16 Cb -0.02 0.47 -0.08 0.00 -1.09 0.00 0.00 33.01 32.28 1s5f s GLN 16 CO 0.22 -0.31 0.70 0.42 -1.32 0.00 0.00 175.29 175.00 1s5f s ILE 17 N -1.18 4.69 -0.24 3.63 -1.09 -1.26 -1.16 121.20 124.58 1s5f s ILE 17 Ca -0.10 0.99 0.01 0.00 -2.23 0.00 0.00 60.65 59.32 1s5f s ILE 17 Cb -0.00 -3.70 0.06 0.00 -1.58 0.00 0.00 42.46 37.25 1s5f s ILE 17 CO 0.09 -0.02 -0.05 -1.00 -1.23 0.00 0.00 174.94 172.73 1s5f s HIS 18 N -1.78 2.56 -0.54 3.97 3.76 -0.41 -4.97 115.29 117.88 1s5f s HIS 18 Ca 0.49 -1.89 -0.28 0.00 -0.15 0.00 0.00 55.06 53.22 1s5f s HIS 18 Cb -0.13 -1.68 0.02 0.00 1.11 0.00 0.00 32.58 31.90 1s5f s HIS 18 CO 0.19 -0.80 1.30 0.99 -0.85 0.00 0.00 174.74 175.57 1s5f s THR 19 N 1.34 3.94 -0.27 1.30 2.01 -1.26 -2.24 115.64 120.45 1s5f s THR 19 Ca -0.05 0.86 -0.11 0.00 0.31 0.00 0.00 61.69 62.70 1s5f s THR 19 Cb -0.19 -4.54 -0.13 0.00 0.01 0.00 0.00 72.50 67.66 1s5f s THR 19 CO -0.07 -1.16 -0.33 0.18 -0.69 0.00 0.00 174.62 172.56 1s5f n LEU 20 N 8.85 2.11 -3.96 4.42 4.77 -0.69 -5.03 117.00 127.47 1s5f n LEU 20 Ca 0.11 0.24 -0.29 0.00 -0.03 0.00 0.00 56.01 56.05 1s5f n LEU 20 Cb 0.49 -0.82 0.01 0.00 -2.33 0.00 0.00 43.42 40.77 1s5f n LEU 20 CO 0.71 0.63 -0.02 0.59 -1.33 0.00 0.00 177.39 177.98 1s5f n ASN 21 N -4.03 -3.00 -3.82 -1.43 3.02 -0.67 -4.98 115.26 100.34 1s5f n ASN 21 Ca -0.52 -0.88 -0.09 0.00 -0.03 0.00 0.00 54.58 53.06 1s5f n ASN 21 Cb 0.90 -3.51 -0.07 0.00 -0.61 0.00 0.00 39.78 36.49 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 -3.69 0.06 0.60 6.41 2.15 -1.10 -4.89 116.67 116.22 1s5f s ASP 22 Ca 0.44 -0.57 -0.14 0.00 0.43 0.00 0.00 52.55 52.71 1s5f s ASP 22 Cb -0.23 0.35 -0.03 0.00 -0.30 0.00 0.00 42.92 42.71 1s5f s ASP 22 CO 0.86 -0.73 1.04 -1.59 -0.17 0.00 0.00 175.17 174.58 1s5f s LYS 23 N -3.72 3.39 0.03 4.34 -2.85 -1.26 -1.80 119.74 117.87 1s5f s LYS 23 Ca 0.04 1.04 -0.30 0.00 -1.00 0.00 0.00 55.97 55.74 1s5f s LYS 23 Cb 0.04 -2.05 -0.07 0.00 -2.06 0.00 0.00 37.83 33.69 1s5f s LYS 23 CO -0.10 -0.74 1.52 0.42 0.10 0.00 0.00 175.35 176.55 1s5f s ILE 24 N -2.71 3.39 0.08 3.79 1.01 -1.26 -4.69 121.20 120.81 1s5f s ILE 24 Ca 0.60 0.80 -0.15 0.00 0.00 0.00 0.00 60.65 61.90 1s5f s ILE 24 Cb -0.14 -3.52 -0.13 0.00 0.01 0.00 0.00 42.46 38.69 1s5f s ILE 24 CO 0.42 -0.00 1.34 0.15 0.00 0.00 0.00 174.94 176.84 1s5f h PHE 25 N 8.10 0.86 -3.00 3.97 3.57 -1.59 -3.47 116.94 125.37 1s5f h PHE 25 Ca -0.40 -0.32 -0.14 0.00 3.53 0.00 0.00 57.97 60.64 1s5f h PHE 25 Cb 1.19 -0.16 -0.24 0.00 2.79 0.00 0.00 35.95 39.53 1s5f h PHE 25 CO 0.77 1.10 -0.34 -1.54 -2.23 0.00 0.00 178.31 176.06 1s5f s SER 26 N -6.71 -0.29 -0.05 0.41 1.04 -1.19 -4.98 113.70 101.92 1s5f s SER 26 Ca -0.12 0.52 0.06 0.00 0.48 0.00 0.00 55.95 56.89 1s5f s SER 26 Cb 0.08 0.57 -0.01 0.00 0.10 0.00 0.00 66.02 66.76 1s5f s SER 26 CO 0.85 -0.17 -0.23 -0.47 0.98 0.00 0.00 173.24 174.19 1s5f s TYR 27 N -0.12 2.29 -0.03 5.02 6.14 -1.26 -1.55 117.35 127.84 1s5f s TYR 27 Ca -0.03 -0.67 0.00 0.00 0.64 0.00 0.00 57.07 57.02 1s5f s TYR 27 Cb -0.03 -1.50 0.03 0.00 0.42 0.00 0.00 41.96 40.87 1s5f s TYR 27 CO 0.01 -0.20 -0.01 0.99 0.64 0.00 0.00 175.55 176.98 1s5f s THR 28 N -0.14 0.25 0.06 4.34 2.01 -0.29 -5.00 115.64 116.88 1s5f s THR 28 Ca -0.03 0.05 0.04 0.00 0.31 0.00 0.00 61.69 62.06 1s5f s THR 28 Cb -0.13 -0.34 -0.03 0.00 0.01 0.00 0.00 72.50 72.01 1s5f s THR 28 CO 0.03 0.17 -0.12 -1.83 -0.69 0.00 0.00 174.62 172.17 1s5f s GLU 29 N 1.04 0.74 -0.00 4.92 -1.05 -1.26 -0.61 118.70 122.47 1s5f s GLU 29 Ca -0.09 -0.90 0.04 0.00 -0.15 0.00 0.00 54.97 53.87 1s5f s GLU 29 Cb -0.14 -0.67 -0.01 0.00 -0.44 0.00 0.00 34.13 32.87 1s5f s GLU 29 CO -0.01 0.14 -0.13 0.45 0.95 0.00 0.00 175.26 176.66 1s5f s SER 30 N -1.70 1.56 0.00 0.83 0.15 -0.74 -5.01 113.70 108.80 1s5f s SER 30 Ca -0.04 -0.28 0.08 0.00 0.70 0.00 0.00 55.95 56.40 1s5f s SER 30 Cb -0.10 -0.16 0.14 0.00 -1.71 0.00 0.00 66.02 64.19 1s5f s SER 30 CO 0.02 0.14 0.95 0.00 1.20 0.00 0.00 173.24 175.55 1s5f n LEU 31 N 2.59 2.13 -4.75 3.45 -0.00 -1.26 -3.32 117.00 115.84 1s5f n LEU 31 Ca -0.15 -1.48 -0.38 0.00 -0.00 0.00 0.00 56.01 54.00 1s5f n LEU 31 Cb 0.55 -0.08 0.04 0.00 -0.00 0.00 0.00 43.42 43.94 1s5f n LEU 31 CO 0.24 0.49 0.93 0.00 -0.00 0.00 0.00 177.39 179.06 1s5f s ALA 32 N -0.82 2.68 0.41 1.47 0.00 -1.26 -4.90 121.76 119.34 1s5f s ALA 32 Ca 0.12 1.23 -0.26 0.00 0.00 0.00 0.00 51.96 53.05 1s5f s ALA 32 Cb 0.07 -3.54 -0.09 0.00 0.00 0.00 0.00 23.12 19.57 1s5f s ALA 32 CO 0.10 -1.35 1.36 0.20 0.00 0.00 0.00 175.76 176.07 1s5f s GLY 33 N -1.18 2.93 -0.06 0.00 0.00 -1.26 -1.95 107.32 105.80 1s5f s GLY 33 Ca 0.75 1.33 0.00 0.00 0.00 0.00 0.00 44.72 46.80 1s5f s GLY 33 CO 0.43 1.95 0.00 0.28 0.00 0.00 0.00 173.10 175.75 1s5f n LYS 34 N 0.15 -1.85 -2.70 2.90 4.76 -1.26 -4.82 118.16 115.35 1s5f n LYS 34 Ca 0.03 0.49 -0.07 0.00 -2.87 0.00 0.00 58.31 55.89 1s5f n LYS 34 Cb 0.42 -4.88 0.04 0.00 -1.84 0.00 0.00 35.03 28.77 1s5f n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1s5f n ARG 35 N 0.64 1.28 -3.06 1.97 5.12 -0.82 -4.99 116.66 116.79 1s5f n ARG 35 Ca -0.01 -3.16 -0.44 0.00 -1.93 0.00 0.00 57.85 52.31 1s5f n ARG 35 Cb 0.47 -1.20 -0.00 0.00 -1.16 0.00 0.00 32.46 30.57 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 -2.96 4.04 0.18 5.56 8.01 -1.24 -4.32 118.70 127.97 1s5f s GLU 36 Ca 0.26 -2.63 -0.11 0.00 0.01 0.00 0.00 54.97 52.50 1s5f s GLU 36 Cb 0.43 -4.89 0.00 0.00 -4.31 0.00 0.00 34.13 25.35 1s5f s GLU 36 CO 0.01 -1.62 0.35 0.00 0.01 0.00 0.00 175.26 174.02 1s5f s MET 37 N 0.96 1.23 0.07 1.61 0.23 -1.21 -4.41 119.30 117.78 1s5f s MET 37 Ca 0.37 -1.10 0.10 0.00 -1.03 0.00 0.00 55.69 54.04 1s5f s MET 37 Cb -0.05 0.42 -0.03 0.00 -1.53 0.00 0.00 34.83 33.64 1s5f s MET 37 CO -0.03 -0.47 -0.27 0.00 -2.03 0.00 0.00 175.02 172.22 1s5f s ALA 38 N -3.95 2.30 -0.11 3.16 0.00 -1.24 -1.79 121.76 120.13 1s5f s ALA 38 Ca 0.15 -1.33 -0.00 0.00 0.00 0.00 0.00 51.96 50.78 1s5f s ALA 38 Cb 0.02 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.72 1s5f s ALA 38 CO -0.00 0.54 -0.08 0.42 0.00 0.00 0.00 175.76 176.64 1s5f s ILE 39 N -0.88 1.03 0.01 0.00 1.01 0.22 -1.77 121.20 120.82 1s5f s ILE 39 Ca 0.12 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.50 1s5f s ILE 39 Cb -0.10 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 1s5f s ILE 39 CO 0.03 0.37 0.00 0.27 0.00 0.00 0.00 174.94 175.62 1s5f s ILE 40 N 1.67 4.16 0.38 2.92 -4.36 -0.75 -1.14 121.20 124.09 1s5f s ILE 40 Ca 0.04 -0.64 0.07 0.00 -0.26 0.00 0.00 60.65 59.87 1s5f s ILE 40 Cb -0.13 -2.87 -0.07 0.00 1.25 0.00 0.00 42.46 40.64 1s5f s ILE 40 CO -0.08 0.35 -0.02 0.28 0.24 0.00 0.00 174.94 175.71 1s5f s THR 41 N -1.12 2.00 0.33 8.37 -1.32 -0.59 -1.98 115.64 121.34 1s5f s THR 41 Ca 0.20 -2.06 0.04 0.00 -1.21 0.00 0.00 61.69 58.66 1s5f s THR 41 Cb -0.12 -2.87 -0.06 0.00 -1.51 0.00 0.00 72.50 67.94 1s5f s THR 41 CO 0.11 -0.07 0.06 -0.36 -2.21 0.00 0.00 174.62 172.16 1s5f s PHE 42 N -2.73 1.96 0.32 9.09 0.08 -0.87 -1.53 117.98 124.31 1s5f s PHE 42 Ca 0.34 -0.98 0.05 0.00 0.12 0.00 0.00 56.93 56.46 1s5f s PHE 42 Cb 0.08 -1.29 0.56 0.00 -0.57 0.00 0.00 43.02 41.80 1s5f s PHE 42 CO 0.17 -0.01 1.82 1.57 -0.10 0.00 0.00 175.22 178.67 1s5f h LYS 43 N 2.07 0.43 0.00 0.44 2.10 -1.91 -2.34 116.57 117.37 1s5f h LYS 43 Ca -0.40 -0.12 0.00 0.00 -2.00 0.00 0.00 60.65 58.12 1s5f h LYS 43 Cb 1.25 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1s5f h LYS 43 CO 0.69 0.57 0.00 0.27 -2.00 0.00 0.00 179.45 178.98 1s5f n ASN 44 N -4.20 0.00 0.00 7.07 2.04 -1.26 -4.88 115.26 114.02 1s5f n ASN 44 Ca 0.00 -0.08 0.00 0.00 -0.44 0.00 0.00 54.58 54.06 1s5f n ASN 44 Cb 0.32 -0.21 0.00 0.00 -2.53 0.00 0.00 39.78 37.37 1s5f n ASN 44 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1s5f n GLY 45 N -0.03 0.61 3.76 4.83 0.00 -0.88 -5.06 105.19 108.42 1s5f n GLY 45 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 1s5f n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s5f s ALA 46 N -2.37 3.52 -0.05 4.61 0.00 -1.26 -4.83 121.76 121.38 1s5f s ALA 46 Ca 0.00 1.19 0.03 0.00 0.00 0.00 0.00 51.96 53.19 1s5f s ALA 46 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1s5f s ALA 46 CO 0.00 -0.58 -0.14 0.99 0.00 0.00 0.00 175.76 176.03 1s5f s THR 47 N -0.64 1.20 0.04 0.00 2.01 -1.26 -2.05 115.64 114.95 1s5f s THR 47 Ca 0.52 -0.57 0.03 0.00 0.31 0.00 0.00 61.69 61.98 1s5f s THR 47 Cb -0.38 -1.06 -0.02 0.00 0.01 0.00 0.00 72.50 71.04 1s5f s THR 47 CO 0.46 0.36 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.31 1s5f s PHE 48 N 0.26 0.73 0.22 4.92 0.08 -0.84 -4.00 117.98 119.34 1s5f s PHE 48 Ca -0.07 -0.48 0.11 0.00 0.12 0.00 0.00 56.93 56.60 1s5f s PHE 48 Cb -0.12 -0.43 -0.05 0.00 -0.57 0.00 0.00 43.02 41.85 1s5f s PHE 48 CO 0.02 -0.07 -0.18 1.14 -0.10 0.00 0.00 175.22 176.04 1s5f s GLN 49 N -1.56 1.75 -0.22 0.44 -2.07 -0.74 -1.80 119.66 115.46 1s5f s GLN 49 Ca -0.09 -1.52 -0.14 0.00 -1.82 0.00 0.00 55.36 51.79 1s5f s GLN 49 Cb -0.10 -1.93 -0.04 0.00 -1.09 0.00 0.00 33.01 29.85 1s5f s GLN 49 CO 0.01 0.39 0.32 0.08 -1.32 0.00 0.00 175.29 174.76 1s5f s VAL 50 N -1.94 5.25 0.69 3.63 1.01 -0.73 -0.84 120.40 127.47 1s5f s VAL 50 Ca 0.25 0.53 -0.16 0.00 0.00 0.00 0.00 61.98 62.59 1s5f s VAL 50 Cb -0.07 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.67 1s5f s VAL 50 CO 0.13 0.28 1.23 -1.61 0.00 0.00 0.00 175.10 175.13 1s5f s GLU 51 N 1.25 2.37 0.20 2.72 2.02 -1.26 -3.65 118.70 122.35 1s5f s GLU 51 Ca 0.15 1.84 -0.31 0.00 0.02 0.00 0.00 54.97 56.67 1s5f s GLU 51 Cb -0.14 -1.85 -0.11 0.00 0.10 0.00 0.00 34.13 32.13 1s5f s GLU 51 CO 0.07 -1.68 1.58 0.08 0.02 0.00 0.00 175.26 175.33 1s5f s VAL 52 N -1.78 2.45 -0.02 2.63 1.01 -1.26 -4.85 120.40 118.58 1s5f s VAL 52 Ca 0.77 0.34 -0.33 0.00 0.00 0.00 0.00 61.98 62.75 1s5f s VAL 52 Cb -0.31 -3.22 -0.12 0.00 0.00 0.00 0.00 36.38 32.73 1s5f s VAL 52 CO 0.42 0.03 1.85 -2.65 0.00 0.00 0.00 175.10 174.75 1s5f n PRO 53 N 3.54 2.31 0.00 2.72 -0.02 -1.26 -4.92 135.00 137.36 1s5f n PRO 53 Ca 0.13 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 1s5f n PRO 53 Cb 0.38 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 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 4.27 3.91 0.00 -1.23 0.00 -1.26 -5.05 105.19 105.83 1s5f n GLY 54 Ca 0.21 -1.01 0.11 0.00 0.00 0.00 0.00 46.02 45.33 1s5f n GLY 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s5f n SER 55 N 0.00 0.00 0.12 1.61 3.41 -1.26 -2.40 113.62 115.10 1s5f n SER 55 Ca 0.00 0.14 0.13 0.00 -0.26 0.00 0.00 58.87 58.88 1s5f n SER 55 Cb 0.00 -0.36 0.43 0.00 -0.26 0.00 0.00 64.21 64.03 1s5f n SER 55 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 1s5f h GLN 56 N 0.00 0.00 -5.78 4.33 -0.00 -1.96 -3.45 115.11 108.24 1s5f h GLN 56 Ca 0.00 0.00 -0.67 0.00 -0.00 0.00 0.00 58.65 57.98 1s5f h GLN 56 Cb 0.27 0.00 -0.11 0.00 -0.00 0.00 0.00 27.48 27.64 1s5f h GLN 56 CO 0.00 0.00 -0.55 -1.01 -0.00 0.00 0.00 178.83 177.27 1s5f s HIS 57 N -3.19 3.37 0.76 0.06 3.76 -1.01 -5.12 115.29 113.91 1s5f s HIS 57 Ca 0.08 0.34 -0.10 0.00 -0.15 0.00 0.00 55.06 55.23 1s5f s HIS 57 Cb 0.11 -1.87 0.06 0.00 1.11 0.00 0.00 32.58 31.99 1s5f s HIS 57 CO 0.53 0.58 1.11 0.96 -0.85 0.00 0.00 174.74 177.07 1s5f s ILE 58 N -0.88 2.37 0.31 0.60 -4.36 -1.26 -4.93 121.20 113.05 1s5f s ILE 58 Ca 0.14 -0.00 0.02 0.00 -0.26 0.00 0.00 60.65 60.54 1s5f s ILE 58 Cb -0.12 -3.09 0.16 0.00 1.25 0.00 0.00 42.46 40.66 1s5f s ILE 58 CO 0.03 -0.11 1.85 0.44 0.24 0.00 0.00 174.94 177.39 1s5f h ASP 59 N -0.84 0.61 0.64 4.36 3.32 -1.99 -2.67 116.42 119.85 1s5f h ASP 59 Ca -0.45 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.48 1s5f h ASP 59 Cb 1.31 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1s5f h ASP 59 CO 0.64 0.65 0.00 0.77 -1.72 0.00 0.00 179.24 179.58 1s5f h SER 60 N 0.62 0.00 1.60 6.45 4.64 -2.05 -2.67 113.55 122.15 1s5f h SER 60 Ca 0.13 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.41 1s5f h SER 60 Cb 0.32 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 1s5f h SER 60 CO 0.01 0.00 -0.23 1.56 -0.87 0.00 0.00 176.83 177.30 1s5f h GLN 61 N 0.00 0.00 -0.21 4.77 4.20 -1.87 -3.38 115.11 118.63 1s5f h GLN 61 Ca 0.00 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.74 1s5f h GLN 61 Cb 0.32 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 1s5f h GLN 61 CO 0.00 0.23 0.00 0.87 -0.67 0.00 0.00 178.83 179.26 1s5f h LYS 62 N 0.00 0.07 0.00 1.46 1.79 -1.59 0.51 116.57 118.81 1s5f h LYS 62 Ca -0.00 -0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.40 1s5f h LYS 62 Cb 1.09 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.71 1s5f h LYS 62 CO 0.03 0.05 -0.30 1.57 -1.08 0.00 0.00 179.45 179.71 1s5f h LYS 63 N 0.07 0.00 0.00 3.15 -0.00 -1.78 -2.70 116.57 115.31 1s5f h LYS 63 Ca 0.10 0.00 -0.16 0.00 -0.00 0.00 0.00 60.65 60.59 1s5f h LYS 63 Cb 0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 32.33 1s5f h LYS 63 CO -0.16 0.30 -0.75 0.00 -0.00 0.00 0.00 179.45 178.83 1s5f h ALA 64 N 1.70 0.65 -0.08 0.07 0.00 -1.50 -2.25 119.26 117.85 1s5f h ALA 64 Ca -0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 54.91 54.20 1s5f h ALA 64 Cb 0.63 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1s5f h ALA 64 CO 0.04 0.94 -0.03 0.82 0.00 0.00 0.00 179.25 181.02 1s5f h ILE 65 N 0.00 1.31 -0.91 0.00 2.04 -0.69 -1.13 117.51 118.13 1s5f h ILE 65 Ca -0.01 -0.99 0.04 0.00 1.00 0.00 0.00 64.86 64.90 1s5f h ILE 65 Cb 1.42 1.81 -0.06 0.00 -0.74 0.00 0.00 36.82 39.26 1s5f h ILE 65 CO 0.10 0.28 0.59 -0.33 0.00 0.00 0.00 178.15 178.78 1s5f h GLU 66 N -0.20 1.09 -0.61 2.37 4.39 -1.55 -2.40 114.58 117.68 1s5f h GLU 66 Ca 0.02 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 1s5f h GLU 66 Cb 0.45 -0.25 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 1s5f h GLU 66 CO 0.01 0.72 0.29 -0.09 -1.16 0.00 0.00 179.01 178.78 1s5f h ARG 67 N 1.12 0.88 -0.37 2.33 2.43 -1.30 -2.83 114.38 116.65 1s5f h ARG 67 Ca 0.37 -0.13 -0.08 0.00 -0.81 0.00 0.00 59.98 59.33 1s5f h ARG 67 Cb 0.05 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 1s5f h ARG 67 CO -0.13 0.71 -0.11 1.98 -1.51 0.00 0.00 179.97 180.91 1s5f h MET 68 N 0.84 0.65 -0.20 0.20 4.05 -0.71 -1.28 114.93 118.47 1s5f h MET 68 Ca 0.21 -0.20 -0.09 0.00 -0.28 0.00 0.00 59.70 59.34 1s5f h MET 68 Cb 0.12 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.84 1s5f h MET 68 CO -0.03 0.74 -0.28 0.87 0.23 0.00 0.00 176.91 178.44 1s5f h LYS 69 N 0.59 0.39 -0.46 0.39 1.57 -1.38 0.01 116.57 117.69 1s5f h LYS 69 Ca 0.11 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1s5f h LYS 69 Cb 0.53 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 1s5f h LYS 69 CO 0.03 0.64 0.11 -0.44 -0.57 0.00 0.00 179.45 179.23 1s5f h ASP 70 N 0.35 0.69 -0.70 0.86 3.32 -1.12 -1.71 116.42 118.11 1s5f h ASP 70 Ca 0.05 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 56.82 1s5f h ASP 70 Cb 0.68 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 1s5f h ASP 70 CO 0.05 0.74 0.25 0.74 -1.72 0.00 0.00 179.24 179.30 1s5f h THR 71 N 0.61 1.25 -0.15 0.35 2.02 -0.90 -2.46 112.91 113.63 1s5f h THR 71 Ca 0.14 -0.83 -0.11 0.00 0.77 0.00 0.00 66.41 66.39 1s5f h THR 71 Cb 0.32 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1s5f h THR 71 CO 0.00 0.33 -0.39 -0.07 0.37 0.00 0.00 175.52 175.76 1s5f h LEU 72 N 1.01 0.34 0.33 2.58 3.38 -0.93 -2.32 115.31 119.69 1s5f h LEU 72 Ca 0.23 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1s5f h LEU 72 Cb 0.26 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1s5f h LEU 72 CO -0.01 0.71 -0.16 -0.09 0.09 0.00 0.00 178.44 178.98 1s5f h ARG 73 N 0.28 -0.42 0.00 1.13 2.43 -0.96 -2.36 114.38 114.47 1s5f h ARG 73 Ca 0.03 0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 1s5f h ARG 73 Cb 0.82 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 1s5f h ARG 73 CO 0.06 -0.09 -0.35 -0.84 -1.51 0.00 0.00 179.97 177.24 1s5f h ILE 74 N -0.90 1.22 -0.49 1.20 -0.00 -1.53 -1.56 117.51 115.45 1s5f h ILE 74 Ca -0.04 -1.21 0.03 0.00 -0.00 0.00 0.00 64.86 63.63 1s5f h ILE 74 Cb 0.52 1.66 -0.03 0.00 -0.00 0.00 0.00 36.82 38.96 1s5f h ILE 74 CO 0.07 0.34 0.28 0.00 -0.00 0.00 0.00 178.15 178.85 1s5f h ALA 75 N 1.65 0.63 -0.40 0.16 0.00 -1.46 -0.27 119.26 119.56 1s5f h ALA 75 Ca -0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1s5f h ALA 75 Cb 0.63 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1s5f h ALA 75 CO 0.05 -0.03 0.12 -0.92 0.00 0.00 0.00 179.25 178.47 1s5f h TYR 76 N 0.56 0.66 0.00 0.00 3.20 -0.97 -0.01 116.97 120.41 1s5f h TYR 76 Ca 0.20 -0.07 -0.08 0.00 3.14 0.00 0.00 58.73 61.92 1s5f h TYR 76 Cb 0.04 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 1s5f h TYR 76 CO -0.07 0.62 -0.40 -0.07 -1.64 0.00 0.00 178.16 176.60 1s5f h LEU 77 N 0.51 0.00 -1.75 2.82 4.07 -0.96 -2.91 115.31 117.09 1s5f h LEU 77 Ca 0.13 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.09 1s5f h LEU 77 Cb 0.27 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.01 1s5f h LEU 77 CO -0.00 0.40 0.00 0.35 -1.08 0.00 0.00 178.44 178.10 1s5f n THR 78 N -3.67 0.15 -2.76 0.22 -2.24 -0.14 -4.95 114.28 100.90 1s5f n THR 78 Ca -0.01 -0.50 -0.21 0.00 -2.27 0.00 0.00 64.05 61.07 1s5f n THR 78 Cb 0.49 1.04 0.01 0.00 -2.10 0.00 0.00 70.33 69.77 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 1.04 -3.28 -1.90 -0.78 1.02 -1.03 -4.93 120.64 110.79 1s5f n GLU 79 Ca 0.17 0.86 -0.42 0.00 -0.02 0.00 0.00 57.16 57.74 1s5f n GLU 79 Cb 0.52 -5.60 -0.03 0.00 -0.02 0.00 0.00 31.44 26.31 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 -3.03 3.73 -0.05 0.62 0.00 -0.05 -4.74 121.76 118.24 1s5f s ALA 80 Ca 0.17 1.30 -0.30 0.00 0.00 0.00 0.00 51.96 53.13 1s5f s ALA 80 Cb -0.08 -3.68 -0.06 0.00 0.00 0.00 0.00 23.12 19.31 1s5f s ALA 80 CO 0.21 -1.01 1.67 0.21 0.00 0.00 0.00 175.76 176.83 1s5f s LYS 81 N 2.13 4.18 -0.22 0.00 2.20 -1.26 -4.28 119.74 122.49 1s5f s LYS 81 Ca 0.73 2.20 -0.19 0.00 -0.36 0.00 0.00 55.97 58.36 1s5f s LYS 81 Cb -0.42 -3.99 -0.03 0.00 -1.51 0.00 0.00 37.83 31.88 1s5f s LYS 81 CO 0.32 -0.85 0.54 0.14 -0.36 0.00 0.00 175.35 175.14 1s5f s VAL 82 N 4.07 5.08 -0.02 4.02 -7.23 -0.75 -3.34 120.40 122.22 1s5f s VAL 82 Ca 0.74 0.98 -0.17 0.00 -1.81 0.00 0.00 61.98 61.72 1s5f s VAL 82 Cb -0.34 -3.86 -0.09 0.00 0.56 0.00 0.00 36.38 32.65 1s5f s VAL 82 CO 0.30 0.13 0.73 -0.08 -0.31 0.00 0.00 175.10 175.87 1s5f h GLU 83 N 7.65 -0.58 -4.38 4.82 4.81 -1.37 -1.74 114.58 123.77 1s5f h GLU 83 Ca -0.32 0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 58.79 1s5f h GLU 83 Cb 1.15 0.13 -0.15 0.00 0.63 0.00 0.00 28.75 30.50 1s5f h GLU 83 CO 0.74 -0.39 -0.69 0.15 -0.73 0.00 0.00 179.01 178.09 1s5f s LYS 84 N -3.54 0.67 -0.09 1.92 1.02 -1.08 -1.71 119.74 116.92 1s5f s LYS 84 Ca -0.09 -1.21 -0.02 0.00 0.02 0.00 0.00 55.97 54.67 1s5f s LYS 84 Cb 0.01 0.04 0.03 0.00 -0.52 0.00 0.00 37.83 37.40 1s5f s LYS 84 CO 0.27 -0.07 0.00 -0.51 -0.92 0.00 0.00 175.35 174.12 1s5f s LEU 85 N -2.84 0.71 -0.01 3.17 1.43 -0.95 -1.96 118.68 118.23 1s5f s LEU 85 Ca 0.07 -0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 52.66 1s5f s LEU 85 Cb 0.06 -0.49 -0.03 0.00 0.03 0.00 0.00 46.19 45.76 1s5f s LEU 85 CO -0.07 -0.21 0.99 0.00 0.23 0.00 0.00 176.35 177.29 1s5f s VAL 87 N 1.12 0.13 -0.33 0.00 -7.23 -0.31 -0.49 120.40 113.30 1s5f s VAL 87 Ca 0.52 -1.11 -0.26 0.00 -1.81 0.00 0.00 61.98 59.31 1s5f s VAL 87 Cb -0.21 -0.67 0.01 0.00 0.56 0.00 0.00 36.38 36.07 1s5f s VAL 87 CO 0.27 -0.61 0.93 0.26 -0.31 0.00 0.00 175.10 175.63 1s5f s TRP 88 N -2.20 3.16 -1.47 2.82 0.51 0.47 -1.20 118.94 121.02 1s5f s TRP 88 Ca -0.09 0.94 0.05 0.00 -2.12 0.00 0.00 56.10 54.89 1s5f s TRP 88 Cb -0.04 -3.49 0.21 0.00 -0.81 0.00 0.00 33.47 29.33 1s5f s TRP 88 CO -0.03 -0.70 1.02 0.27 -0.51 0.00 0.00 176.95 177.00 1s5f n ASN 89 N 6.58 1.65 -1.60 2.95 0.23 -0.04 -2.52 115.26 122.51 1s5f n ASN 89 Ca 0.08 -2.11 0.07 0.00 -0.53 0.00 0.00 54.58 52.08 1s5f n ASN 89 Cb 0.48 -0.32 0.36 0.00 -2.08 0.00 0.00 39.78 38.22 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 0.14 5.17 -4.18 0.53 6.94 -1.26 -4.93 115.26 117.67 1s5f n ASN 90 Ca 0.07 -2.98 -0.18 0.00 -0.02 0.00 0.00 54.58 51.48 1s5f n ASN 90 Cb 0.33 -0.65 -0.12 0.00 -2.36 0.00 0.00 39.78 36.98 1s5f n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1s5f s LYS 91 N -2.81 0.85 -0.14 -3.83 -0.14 -1.22 -5.09 119.74 107.37 1s5f s LYS 91 Ca 0.51 -1.02 -0.02 0.00 -1.36 0.00 0.00 55.97 54.09 1s5f s LYS 91 Cb 0.40 -0.81 0.04 0.00 -1.68 0.00 0.00 37.83 35.78 1s5f s LYS 91 CO 0.14 0.17 -0.01 0.99 -0.76 0.00 0.00 175.35 175.88 1s5f s THR 92 N -1.51 0.66 0.80 2.17 2.01 -1.26 -2.47 115.64 116.04 1s5f s THR 92 Ca 0.00 -0.34 -0.11 0.00 0.31 0.00 0.00 61.69 61.55 1s5f s THR 92 Cb -0.09 -0.94 0.08 0.00 0.01 0.00 0.00 72.50 71.56 1s5f s THR 92 CO 0.02 0.07 1.12 -2.16 -0.69 0.00 0.00 174.62 172.98 1s5f s PRO 93 N 1.83 1.93 0.32 4.92 0.04 -1.26 -5.08 135.00 137.70 1s5f s PRO 93 Ca 0.02 1.35 -0.29 0.00 0.04 0.00 0.00 61.00 62.12 1s5f s PRO 93 Cb -0.15 -1.85 -0.12 0.00 0.04 0.00 0.00 34.50 32.43 1s5f s PRO 93 CO -0.07 -1.92 1.46 0.72 0.04 0.00 0.00 177.00 177.23 1s5f n HIS 94 N -3.56 2.63 -3.79 0.56 8.25 -1.03 -4.51 115.22 113.77 1s5f n HIS 94 Ca 0.10 0.41 -0.36 0.00 -0.26 0.00 0.00 57.72 57.62 1s5f n HIS 94 Cb 0.52 -2.51 -0.07 0.00 1.12 0.00 0.00 29.99 29.06 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 -0.60 3.78 -0.18 -1.41 0.00 -1.05 -1.80 121.76 120.51 1s5f s ALA 95 Ca 0.59 -0.63 -0.29 0.00 0.00 0.00 0.00 51.96 51.63 1s5f s ALA 95 Cb -0.54 -2.09 -0.00 0.00 0.00 0.00 0.00 23.12 20.50 1s5f s ALA 95 CO 0.56 0.41 1.12 0.42 0.00 0.00 0.00 175.76 178.27 1s5f s ILE 96 N -0.42 4.53 -0.08 0.00 1.01 -0.02 -0.40 121.20 125.82 1s5f s ILE 96 Ca 0.13 1.85 -0.06 0.00 0.00 0.00 0.00 60.65 62.56 1s5f s ILE 96 Cb -0.12 -4.19 -0.27 0.00 0.01 0.00 0.00 42.46 37.89 1s5f s ILE 96 CO 0.02 -0.13 0.52 0.00 0.00 0.00 0.00 174.94 175.36 1s5f h ALA 97 N 7.63 0.37 -2.33 9.38 0.00 -1.13 -3.46 119.26 129.72 1s5f h ALA 97 Ca -0.24 -1.30 -0.06 0.00 0.00 0.00 0.00 54.91 53.30 1s5f h ALA 97 Cb 1.09 0.58 -0.17 0.00 0.00 0.00 0.00 17.79 19.29 1s5f h ALA 97 CO 0.95 1.24 0.09 0.00 0.00 0.00 0.00 179.25 181.53 1s5f s ALA 98 N -2.57 -1.50 0.09 0.00 0.00 -1.03 -4.99 121.76 111.76 1s5f s ALA 98 Ca -0.18 0.88 0.08 0.00 0.00 0.00 0.00 51.96 52.74 1s5f s ALA 98 Cb 0.06 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 1s5f s ALA 98 CO 0.81 -0.45 -0.20 -1.50 0.00 0.00 0.00 175.76 174.42 1s5f s ILE 99 N -1.92 1.60 0.02 0.00 2.07 -1.26 -1.56 121.20 120.15 1s5f s ILE 99 Ca -0.08 -1.46 0.03 0.00 -1.41 0.00 0.00 60.65 57.73 1s5f s ILE 99 Cb -0.01 -1.46 -0.02 0.00 0.13 0.00 0.00 42.46 41.11 1s5f s ILE 99 CO 0.03 -0.06 -0.09 -0.94 -1.91 0.00 0.00 174.94 171.97 1s5f s SER 100 N -1.80 1.03 -0.05 4.50 1.04 -0.83 -5.02 113.70 112.58 1s5f s SER 100 Ca 0.05 -0.34 0.03 0.00 0.48 0.00 0.00 55.95 56.17 1s5f s SER 100 Cb -0.10 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 65.97 1s5f s SER 100 CO 0.04 -0.02 -0.14 -0.04 0.98 0.00 0.00 173.24 174.06 1s5f s MET 101 N -0.85 1.60 0.27 4.02 -1.94 -1.26 -1.16 119.30 119.97 1s5f s MET 101 Ca -0.02 -0.48 -0.21 0.00 -1.71 0.00 0.00 55.69 53.27 1s5f s MET 101 Cb -0.06 -1.37 0.03 0.00 2.01 0.00 0.00 34.83 35.43 1s5f s MET 101 CO 0.00 0.14 0.73 0.00 -0.01 0.00 0.00 175.02 175.89 1s5f s ALA 102 N 0.28 -1.27 -2.00 3.03 0.00 -1.21 -4.81 121.76 115.78 1s5f s ALA 102 Ca -0.07 -0.24 0.19 0.00 0.00 0.00 0.00 51.96 51.83 1s5f s ALA 102 Cb -0.12 0.84 1.11 0.00 0.00 0.00 0.00 23.12 24.94 1s5f s ALA 102 CO 0.02 -1.03 1.50 0.09 0.00 0.00 0.00 175.76 176.35