#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 4.46 0.02 -2.82 0.05 -1.26 -4.97 135.00 130.48 1s5f s PRO 2 Ca 0.00 1.28 0.27 0.00 0.05 0.00 0.00 61.00 62.60 1s5f s PRO 2 Cb 0.00 -2.61 0.92 0.00 0.05 0.00 0.00 34.50 32.86 1s5f s PRO 2 CO 0.00 0.17 1.72 0.00 0.05 0.00 0.00 177.00 178.94 1s5f n GLN 3 N 0.19 0.03 -3.98 4.56 0.00 -1.26 -4.92 117.38 111.99 1s5f n GLN 3 Ca 0.04 0.02 -0.11 0.00 0.00 0.00 0.00 57.00 56.95 1s5f n GLN 3 Cb 0.51 -1.53 -0.03 0.00 0.00 0.00 0.00 30.24 29.19 1s5f n GLN 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1s5f s ASN 4 N -3.14 0.21 0.32 2.61 2.20 -1.26 -5.06 114.94 110.81 1s5f s ASN 4 Ca 0.12 -1.11 0.09 0.00 -0.94 0.00 0.00 52.86 51.03 1s5f s ASN 4 Cb 0.18 0.66 0.55 0.00 -2.00 0.00 0.00 41.25 40.64 1s5f s ASN 4 CO 0.60 -1.29 1.74 -0.29 -2.94 0.00 0.00 177.10 174.92 1s5f h ILE 5 N 2.15 1.31 -0.22 0.54 2.10 -1.97 -2.69 117.51 118.73 1s5f h ILE 5 Ca -0.27 -1.48 -0.10 0.00 1.08 0.00 0.00 64.86 64.08 1s5f h ILE 5 Cb 1.25 1.73 -0.00 0.00 -1.09 0.00 0.00 36.82 38.70 1s5f h ILE 5 CO 0.36 0.43 -0.25 0.74 -1.08 0.00 0.00 178.15 178.36 1s5f h THR 6 N 0.11 1.32 -0.44 2.19 2.02 -1.99 -1.90 112.91 114.22 1s5f h THR 6 Ca 0.01 -1.43 -0.10 0.00 0.77 0.00 0.00 66.41 65.67 1s5f h THR 6 Cb 0.78 1.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.91 1s5f h THR 6 CO 0.06 0.44 -0.11 0.44 0.37 0.00 0.00 175.52 176.72 1s5f h ASP 7 N 0.25 0.79 -0.55 4.18 3.32 -1.98 -2.75 116.42 119.68 1s5f h ASP 7 Ca 0.03 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 1s5f h ASP 7 Cb 0.81 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 1s5f h ASP 7 CO 0.06 0.93 0.29 0.25 -1.72 0.00 0.00 179.24 179.05 1s5f h LEU 8 N 0.73 0.72 -0.43 1.55 6.46 -1.41 -2.89 115.31 120.03 1s5f h LEU 8 Ca 0.12 -0.06 -0.16 0.00 -0.12 0.00 0.00 57.88 57.66 1s5f h LEU 8 Cb 0.60 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.32 1s5f h LEU 8 CO 0.04 0.60 -0.78 0.00 -0.62 0.00 0.00 178.44 177.67 1s5f h ALA 10 N 1.22 1.42 0.00 0.00 0.00 -1.27 -2.86 119.26 117.77 1s5f h ALA 10 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1s5f h ALA 10 Cb 1.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1s5f h ALA 10 CO 0.10 0.18 0.00 0.39 0.00 0.00 0.00 179.25 179.93 1s5f n GLU 11 N -3.88 0.58 -4.57 0.00 1.02 -1.16 -4.79 120.64 107.84 1s5f n GLU 11 Ca -0.02 0.03 -0.26 0.00 -0.02 0.00 0.00 57.16 56.89 1s5f n GLU 11 Cb 0.24 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.03 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 -2.19 1.88 0.42 -0.32 1.51 -1.08 -5.14 117.35 112.42 1s5f s TYR 12 Ca 0.30 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.98 1s5f s TYR 12 Cb 0.15 -1.09 -0.01 0.00 -0.11 0.00 0.00 41.96 40.90 1s5f s TYR 12 CO 0.29 0.13 0.63 -1.01 -1.11 0.00 0.00 175.55 174.48 1s5f s HIS 13 N -0.90 3.29 -1.19 2.71 3.76 -1.26 -4.46 115.29 117.24 1s5f s HIS 13 Ca 0.08 0.24 -0.11 0.00 -0.15 0.00 0.00 55.06 55.11 1s5f s HIS 13 Cb -0.09 -2.18 -0.02 0.00 1.11 0.00 0.00 32.58 31.40 1s5f s HIS 13 CO 0.03 -0.21 0.76 0.09 -0.85 0.00 0.00 174.74 174.56 1s5f n ASN 14 N -1.97 -4.02 -3.88 1.40 4.13 -1.26 -4.99 115.26 104.67 1s5f n ASN 14 Ca -0.00 -0.91 -0.09 0.00 1.68 0.00 0.00 54.58 55.26 1s5f n ASN 14 Cb 0.57 -3.86 -0.05 0.00 -1.54 0.00 0.00 39.78 34.90 1s5f n ASN 14 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1s5f s THR 15 N -3.55 0.02 -0.26 3.41 -1.32 -1.26 -2.77 115.64 109.92 1s5f s THR 15 Ca 0.31 -1.14 -0.28 0.00 -1.21 0.00 0.00 61.69 59.37 1s5f s THR 15 Cb -0.09 -1.87 0.17 0.00 -1.51 0.00 0.00 72.50 69.19 1s5f s THR 15 CO 0.83 -0.11 1.26 -1.58 -2.21 0.00 0.00 174.62 172.81 1s5f s GLN 16 N -3.95 0.24 0.01 7.08 0.74 -0.88 -4.85 119.66 118.04 1s5f s GLN 16 Ca 0.16 0.14 -0.08 0.00 0.05 0.00 0.00 55.36 55.63 1s5f s GLN 16 Cb -0.00 0.11 -0.05 0.00 1.10 0.00 0.00 33.01 34.17 1s5f s GLN 16 CO 0.02 -0.06 0.29 0.42 -0.55 0.00 0.00 175.29 175.42 1s5f s ILE 17 N -0.57 5.26 -0.12 -2.34 -1.09 -1.26 -1.33 121.20 119.74 1s5f s ILE 17 Ca 0.05 0.27 0.03 0.00 -2.23 0.00 0.00 60.65 58.78 1s5f s ILE 17 Cb -0.03 -3.58 0.01 0.00 -1.58 0.00 0.00 42.46 37.28 1s5f s ILE 17 CO -0.08 0.39 -0.22 -1.00 -1.23 0.00 0.00 174.94 172.80 1s5f s HIS 18 N -1.28 2.55 -0.38 3.97 3.76 -0.70 -5.01 115.29 118.20 1s5f s HIS 18 Ca 0.27 -1.18 -0.14 0.00 -0.15 0.00 0.00 55.06 53.86 1s5f s HIS 18 Cb -0.13 -1.73 0.01 0.00 1.11 0.00 0.00 32.58 31.84 1s5f s HIS 18 CO 0.15 -0.51 0.29 0.99 -0.85 0.00 0.00 174.74 174.81 1s5f s THR 19 N 0.62 5.26 -0.27 1.30 2.01 -1.26 -2.12 115.64 121.17 1s5f s THR 19 Ca -0.12 -0.47 -0.11 0.00 0.31 0.00 0.00 61.69 61.30 1s5f s THR 19 Cb -0.17 -3.86 -0.14 0.00 0.01 0.00 0.00 72.50 68.35 1s5f s THR 19 CO 0.03 -0.21 -0.28 0.18 -0.69 0.00 0.00 174.62 173.65 1s5f n LEU 20 N 5.17 2.21 -4.12 4.42 7.99 -0.87 -5.02 117.00 126.78 1s5f n LEU 20 Ca -0.11 0.23 -0.30 0.00 -0.01 0.00 0.00 56.01 55.82 1s5f n LEU 20 Cb 0.48 -0.86 -0.05 0.00 -0.11 0.00 0.00 43.42 42.88 1s5f n LEU 20 CO 0.40 0.65 -0.34 0.59 -1.51 0.00 0.00 177.39 177.18 1s5f n ASN 21 N -4.01 -0.20 -3.59 -1.43 5.03 -0.73 -4.96 115.26 105.36 1s5f n ASN 21 Ca -0.51 -1.16 -0.16 0.00 0.87 0.00 0.00 54.58 53.62 1s5f n ASN 21 Cb 0.90 -2.29 -0.07 0.00 -1.02 0.00 0.00 39.78 37.31 1s5f n ASN 21 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1s5f s ASP 22 N -4.28 -0.64 0.85 6.41 2.15 -1.10 -4.90 116.67 115.17 1s5f s ASP 22 Ca 0.06 0.90 -0.11 0.00 0.43 0.00 0.00 52.55 53.84 1s5f s ASP 22 Cb -0.03 0.83 0.11 0.00 -0.30 0.00 0.00 42.92 43.53 1s5f s ASP 22 CO 0.95 -0.45 1.13 -1.59 -0.17 0.00 0.00 175.17 175.04 1s5f s LYS 23 N -0.62 1.50 0.07 4.34 -2.85 -1.26 -2.54 119.74 118.38 1s5f s LYS 23 Ca -0.07 1.45 -0.30 0.00 -1.00 0.00 0.00 55.97 56.04 1s5f s LYS 23 Cb -0.02 -1.79 -0.06 0.00 -2.06 0.00 0.00 37.83 33.90 1s5f s LYS 23 CO 0.06 -2.26 1.18 0.42 0.10 0.00 0.00 175.35 174.85 1s5f s ILE 24 N -2.67 4.04 0.06 3.79 1.01 -1.26 -4.69 121.20 121.48 1s5f s ILE 24 Ca 0.66 1.50 -0.16 0.00 0.00 0.00 0.00 60.65 62.65 1s5f s ILE 24 Cb -0.21 -3.96 -0.20 0.00 0.01 0.00 0.00 42.46 38.10 1s5f s ILE 24 CO 0.56 0.13 1.22 0.15 0.00 0.00 0.00 174.94 177.00 1s5f h PHE 25 N 6.59 0.89 -3.36 3.97 3.57 -1.54 -3.47 116.94 123.58 1s5f h PHE 25 Ca -0.42 -0.43 -0.16 0.00 3.53 0.00 0.00 57.97 60.49 1s5f h PHE 25 Cb 1.21 -0.12 -0.23 0.00 2.79 0.00 0.00 35.95 39.60 1s5f h PHE 25 CO 0.66 1.25 -0.48 -1.54 -2.23 0.00 0.00 178.31 175.97 1s5f s SER 26 N -6.97 -0.10 -0.09 0.41 1.04 -1.16 -4.98 113.70 101.85 1s5f s SER 26 Ca -0.11 0.09 0.04 0.00 0.48 0.00 0.00 55.95 56.45 1s5f s SER 26 Cb 0.06 0.30 -0.00 0.00 0.10 0.00 0.00 66.02 66.48 1s5f s SER 26 CO 0.87 -0.23 -0.23 -0.47 0.98 0.00 0.00 173.24 174.16 1s5f s TYR 27 N -0.68 2.57 0.00 5.02 5.04 -1.26 -2.43 117.35 125.61 1s5f s TYR 27 Ca -0.08 -0.92 0.04 0.00 -2.44 0.00 0.00 57.07 53.68 1s5f s TYR 27 Cb -0.04 -1.70 -0.01 0.00 0.35 0.00 0.00 41.96 40.55 1s5f s TYR 27 CO 0.01 -0.34 -0.13 0.99 -1.34 0.00 0.00 175.55 174.74 1s5f s THR 28 N 0.22 0.99 -0.05 4.34 2.01 -0.31 -5.01 115.64 117.84 1s5f s THR 28 Ca -0.14 -0.62 -0.04 0.00 0.31 0.00 0.00 61.69 61.20 1s5f s THR 28 Cb -0.17 -0.84 0.02 0.00 0.01 0.00 0.00 72.50 71.52 1s5f s THR 28 CO 0.07 0.21 0.12 -0.70 -0.69 0.00 0.00 174.62 173.63 1s5f s GLU 29 N -0.47 0.12 -0.01 4.92 2.12 -1.26 -1.50 118.70 122.61 1s5f s GLU 29 Ca 0.04 0.20 0.01 0.00 0.36 0.00 0.00 54.97 55.59 1s5f s GLU 29 Cb -0.05 0.01 0.00 0.00 0.26 0.00 0.00 34.13 34.34 1s5f s GLU 29 CO -0.00 -0.05 -0.04 0.45 -0.54 0.00 0.00 175.26 175.07 1s5f s SER 30 N 0.32 0.58 0.00 -1.70 0.15 -0.93 -5.01 113.70 107.10 1s5f s SER 30 Ca -0.02 -0.08 0.12 0.00 0.70 0.00 0.00 55.95 56.67 1s5f s SER 30 Cb -0.03 -0.10 0.11 0.00 -1.71 0.00 0.00 66.02 64.28 1s5f s SER 30 CO -0.01 0.04 0.90 0.00 1.20 0.00 0.00 173.24 175.37 1s5f n LEU 31 N 3.14 2.06 -4.75 3.45 -0.00 -1.26 -2.98 117.00 116.67 1s5f n LEU 31 Ca -0.15 -1.04 -0.41 0.00 -0.00 0.00 0.00 56.01 54.41 1s5f n LEU 31 Cb 0.57 -0.01 0.01 0.00 -0.00 0.00 0.00 43.42 43.99 1s5f n LEU 31 CO 0.25 0.39 1.04 0.00 -0.00 0.00 0.00 177.39 179.08 1s5f n ALA 32 N 0.69 1.94 -1.63 1.47 0.00 -1.26 -4.79 120.51 116.93 1s5f n ALA 32 Ca 0.07 0.30 -0.46 0.00 0.00 0.00 0.00 53.44 53.36 1s5f n ALA 32 Cb 0.31 -2.36 -0.03 0.00 0.00 0.00 0.00 19.45 17.37 1s5f n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s5f n GLY 33 N 0.59 0.34 2.90 0.00 0.00 -1.26 -1.55 105.19 106.21 1s5f n GLY 33 Ca 0.04 0.46 -0.02 0.00 0.00 0.00 0.00 46.02 46.50 1s5f n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s5f n LYS 34 N 1.59 -1.82 -2.69 1.61 4.01 -1.26 -4.77 118.16 114.83 1s5f n LYS 34 Ca 0.12 0.54 -0.00 0.00 -0.51 0.00 0.00 58.31 58.45 1s5f n LYS 34 Cb 0.30 -4.94 0.06 0.00 -0.51 0.00 0.00 35.03 29.94 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 0.44 1.52 -2.95 1.97 3.00 -0.60 -4.98 116.66 115.06 1s5f n ARG 35 Ca -0.02 -3.01 -0.44 0.00 -0.01 0.00 0.00 57.85 54.37 1s5f n ARG 35 Cb 0.49 -1.15 -0.03 0.00 0.00 0.00 0.00 32.46 31.77 1s5f n ARG 35 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1s5f s GLU 36 N -2.87 3.32 0.29 5.56 8.01 -1.19 -4.30 118.70 127.53 1s5f s GLU 36 Ca 0.24 -1.38 -0.16 0.00 0.01 0.00 0.00 54.97 53.68 1s5f s GLU 36 Cb 0.34 -4.53 0.02 0.00 -4.31 0.00 0.00 34.13 25.64 1s5f s GLU 36 CO -0.06 -1.73 0.63 0.00 0.01 0.00 0.00 175.26 174.11 1s5f s MET 37 N 3.07 1.80 0.11 1.61 0.23 -1.16 -4.22 119.30 120.73 1s5f s MET 37 Ca 0.24 -1.23 0.10 0.00 -1.03 0.00 0.00 55.69 53.78 1s5f s MET 37 Cb -0.13 0.55 -0.04 0.00 -1.53 0.00 0.00 34.83 33.68 1s5f s MET 37 CO 0.00 -0.80 -0.26 0.00 -2.03 0.00 0.00 175.02 171.94 1s5f s ALA 38 N -3.60 2.27 -0.06 3.16 0.00 -1.21 -2.19 121.76 120.14 1s5f s ALA 38 Ca 0.17 -1.39 0.01 0.00 0.00 0.00 0.00 51.96 50.75 1s5f s ALA 38 Cb -0.04 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.72 1s5f s ALA 38 CO 0.10 0.51 -0.06 0.42 0.00 0.00 0.00 175.76 176.73 1s5f s ILE 39 N -1.01 0.69 0.08 0.00 1.09 -0.56 -1.37 121.20 120.11 1s5f s ILE 39 Ca 0.13 -0.19 0.08 0.00 -1.10 0.00 0.00 60.65 59.57 1s5f s ILE 39 Cb -0.10 -0.70 -0.04 0.00 -1.06 0.00 0.00 42.46 40.56 1s5f s ILE 39 CO 0.05 0.27 -0.18 0.27 -0.10 0.00 0.00 174.94 175.24 1s5f s ILE 40 N 1.04 2.81 0.35 2.92 -4.36 -0.53 -1.16 121.20 122.26 1s5f s ILE 40 Ca -0.09 -1.37 0.08 0.00 -0.26 0.00 0.00 60.65 59.01 1s5f s ILE 40 Cb -0.14 -2.24 -0.07 0.00 1.25 0.00 0.00 42.46 41.26 1s5f s ILE 40 CO -0.00 0.20 -0.06 0.42 0.24 0.00 0.00 174.94 175.73 1s5f s THR 41 N -1.05 2.06 0.36 8.37 -4.23 -1.02 -1.04 115.64 119.09 1s5f s THR 41 Ca 0.16 -2.15 0.07 0.00 -1.18 0.00 0.00 61.69 58.60 1s5f s THR 41 Cb -0.11 -2.69 -0.07 0.00 1.34 0.00 0.00 72.50 70.98 1s5f s THR 41 CO 0.08 -0.17 -0.01 -0.36 -0.54 0.00 0.00 174.62 173.61 1s5f s PHE 42 N -2.72 2.29 0.41 3.99 0.40 -0.91 -1.41 117.98 120.04 1s5f s PHE 42 Ca 0.33 -0.70 0.10 0.00 -0.60 0.00 0.00 56.93 56.06 1s5f s PHE 42 Cb 0.04 -1.49 0.93 0.00 0.51 0.00 0.00 43.02 43.01 1s5f s PHE 42 CO 0.16 0.36 2.00 1.57 0.70 0.00 0.00 175.22 180.01 1s5f h LYS 43 N 1.98 0.50 -0.97 0.44 5.09 -1.91 -2.23 116.57 119.45 1s5f h LYS 43 Ca -0.42 -0.03 -0.01 0.00 0.09 0.00 0.00 60.65 60.28 1s5f h LYS 43 Cb 1.24 -0.11 -0.01 0.00 0.10 0.00 0.00 32.23 33.45 1s5f h LYS 43 CO 0.74 0.33 0.01 0.27 -2.09 0.00 0.00 179.45 178.71 1s5f n ASN 44 N -4.47 1.80 0.00 7.07 0.23 -1.26 -4.90 115.26 113.73 1s5f n ASN 44 Ca 0.08 -2.09 0.00 0.00 -0.53 0.00 0.00 54.58 52.03 1s5f n ASN 44 Cb 0.25 -0.52 0.00 0.00 -2.08 0.00 0.00 39.78 37.43 1s5f n ASN 44 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1s5f n GLY 45 N 0.13 2.95 3.68 4.83 0.00 -0.84 -5.01 105.19 110.92 1s5f n GLY 45 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.43 3.68 0.04 4.61 0.00 -1.26 -4.75 121.76 122.65 1s5f s ALA 46 Ca 0.00 1.30 0.04 0.00 0.00 0.00 0.00 51.96 53.30 1s5f s ALA 46 Cb 0.00 -3.77 -0.04 0.00 0.00 0.00 0.00 23.12 19.32 1s5f s ALA 46 CO 0.00 -1.31 -0.05 0.99 0.00 0.00 0.00 175.76 175.39 1s5f s THR 47 N 3.33 3.77 0.04 0.00 2.01 -1.26 -2.14 115.64 121.39 1s5f s THR 47 Ca 0.80 -0.86 -0.03 0.00 0.31 0.00 0.00 61.69 61.91 1s5f s THR 47 Cb -0.42 -2.70 -0.02 0.00 0.01 0.00 0.00 72.50 69.37 1s5f s THR 47 CO 0.36 0.29 0.04 -0.36 -0.69 0.00 0.00 174.62 174.26 1s5f s PHE 48 N -1.11 0.28 0.13 4.92 0.08 -0.21 -4.25 117.98 117.83 1s5f s PHE 48 Ca 0.20 -0.63 0.08 0.00 0.12 0.00 0.00 56.93 56.70 1s5f s PHE 48 Cb -0.11 -0.21 -0.04 0.00 -0.57 0.00 0.00 43.02 42.09 1s5f s PHE 48 CO 0.11 -0.33 -0.20 1.14 -0.10 0.00 0.00 175.22 175.84 1s5f s GLN 49 N -2.64 1.20 -0.27 0.44 -2.07 -0.77 -1.46 119.66 114.10 1s5f s GLN 49 Ca -0.05 -1.28 -0.14 0.00 -1.82 0.00 0.00 55.36 52.07 1s5f s GLN 49 Cb -0.01 -1.38 -0.04 0.00 -1.09 0.00 0.00 33.01 30.48 1s5f s GLN 49 CO -0.05 0.30 0.32 0.08 -1.32 0.00 0.00 175.29 174.62 1s5f s VAL 50 N -1.56 5.22 0.79 3.63 1.01 -0.47 -0.82 120.40 128.20 1s5f s VAL 50 Ca 0.11 0.46 -0.13 0.00 0.00 0.00 0.00 61.98 62.42 1s5f s VAL 50 Cb -0.08 -3.65 0.07 0.00 0.00 0.00 0.00 36.38 32.72 1s5f s VAL 50 CO 0.05 0.19 1.16 -1.61 0.00 0.00 0.00 175.10 174.90 1s5f s GLU 51 N 1.92 1.83 0.22 2.72 2.02 -1.26 -3.28 118.70 122.86 1s5f s GLU 51 Ca 0.13 1.57 -0.30 0.00 0.02 0.00 0.00 54.97 56.39 1s5f s GLU 51 Cb -0.16 -1.82 -0.09 0.00 0.10 0.00 0.00 34.13 32.17 1s5f s GLU 51 CO 0.10 -2.03 1.26 0.08 0.02 0.00 0.00 175.26 174.69 1s5f s VAL 52 N -2.37 3.26 0.29 2.63 1.01 -1.26 -4.84 120.40 119.11 1s5f s VAL 52 Ca 0.69 1.09 -0.30 0.00 0.00 0.00 0.00 61.98 63.46 1s5f s VAL 52 Cb -0.25 -3.69 -0.11 0.00 0.00 0.00 0.00 36.38 32.34 1s5f s VAL 52 CO 0.51 0.18 1.51 -2.84 0.00 0.00 0.00 175.10 174.46 1s5f s PRO 53 N -0.46 4.19 0.00 2.72 0.02 -1.26 -4.98 135.00 135.23 1s5f s PRO 53 Ca 0.54 2.45 0.00 0.00 0.02 0.00 0.00 61.00 64.01 1s5f s PRO 53 Cb -0.36 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.11 1s5f s PRO 53 CO 0.40 -0.52 0.00 0.41 -0.33 0.00 0.00 177.00 176.96 1s5f n GLY 54 N 1.93 3.51 0.26 0.52 0.00 -1.26 -5.04 105.19 105.11 1s5f n GLY 54 Ca 0.06 -1.05 0.09 0.00 0.00 0.00 0.00 46.02 45.12 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 0.63 1.61 4.64 -2.02 -2.51 113.55 115.89 1s5f h SER 55 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 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 0.05 -0.08 0.06 -0.87 0.00 0.00 176.83 175.99 1s5f h GLN 56 N 0.00 0.00 -6.02 4.77 -0.00 -1.97 -3.43 115.11 108.46 1s5f h GLN 56 Ca -0.00 0.00 -0.61 0.00 -0.00 0.00 0.00 58.65 58.04 1s5f h GLN 56 Cb 0.10 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 27.53 1s5f h GLN 56 CO 0.01 0.08 -0.24 -1.01 -0.00 0.00 0.00 178.83 177.68 1s5f s HIS 57 N -3.91 3.67 0.62 0.06 3.76 -0.95 -5.11 115.29 113.43 1s5f s HIS 57 Ca -0.01 0.89 -0.04 0.00 -0.15 0.00 0.00 55.06 55.75 1s5f s HIS 57 Cb 0.11 -2.22 0.04 0.00 1.11 0.00 0.00 32.58 31.62 1s5f s HIS 57 CO 0.56 0.61 0.90 0.96 -0.85 0.00 0.00 174.74 176.91 1s5f s ILE 58 N -1.19 2.78 0.33 0.60 -4.36 -1.26 -4.87 121.20 113.23 1s5f s ILE 58 Ca 0.26 -0.34 0.05 0.00 -0.26 0.00 0.00 60.65 60.37 1s5f s ILE 58 Cb -0.15 -3.13 0.14 0.00 1.25 0.00 0.00 42.46 40.57 1s5f s ILE 58 CO 0.14 -0.12 1.85 0.44 0.24 0.00 0.00 174.94 177.49 1s5f h ASP 59 N -0.26 0.45 1.07 4.36 3.32 -1.99 -2.22 116.42 121.15 1s5f h ASP 59 Ca -0.44 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.50 1s5f h ASP 59 Cb 1.29 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 1s5f h ASP 59 CO 0.58 0.57 -0.05 0.77 -1.72 0.00 0.00 179.24 179.39 1s5f h SER 60 N 0.45 0.00 0.94 6.45 4.64 -2.05 -2.85 113.55 121.12 1s5f h SER 60 Ca 0.09 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.35 1s5f h SER 60 Cb 0.41 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 1s5f h SER 60 CO 0.02 0.05 -0.29 1.56 -0.87 0.00 0.00 176.83 177.30 1s5f h GLN 61 N 0.00 0.00 -0.64 4.77 4.20 -1.78 -3.35 115.11 118.31 1s5f h GLN 61 Ca -0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 1s5f h GLN 61 Cb 0.60 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.35 1s5f h GLN 61 CO 0.01 0.29 0.42 0.87 -0.67 0.00 0.00 178.83 179.75 1s5f h LYS 62 N 0.00 0.82 -0.05 1.46 6.56 -1.57 -1.52 116.57 122.27 1s5f h LYS 62 Ca -0.00 -0.05 -0.16 0.00 -1.06 0.00 0.00 60.65 59.38 1s5f h LYS 62 Cb 0.84 -0.18 -0.01 0.00 -0.57 0.00 0.00 32.23 32.30 1s5f h LYS 62 CO 0.04 0.54 -0.66 1.57 -2.06 0.00 0.00 179.45 178.88 1s5f h LYS 63 N 0.84 0.22 0.00 3.15 2.10 -1.77 -3.16 116.57 117.95 1s5f h LYS 63 Ca 0.24 -0.17 -0.10 0.00 -2.00 0.00 0.00 60.65 58.62 1s5f h LYS 63 Cb -0.07 0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.28 1s5f h LYS 63 CO -0.05 0.80 -0.48 0.00 -2.00 0.00 0.00 179.45 177.72 1s5f h ALA 64 N 1.15 0.74 -0.22 0.07 0.00 -1.57 -2.11 119.26 117.33 1s5f h ALA 64 Ca -0.01 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 1s5f h ALA 64 Cb 1.19 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1s5f h ALA 64 CO 0.10 0.60 -0.14 0.82 0.00 0.00 0.00 179.25 180.63 1s5f h ILE 65 N 0.00 1.31 -0.33 0.00 2.04 -1.30 -0.94 117.51 118.30 1s5f h ILE 65 Ca -0.00 -1.24 -0.13 0.00 1.00 0.00 0.00 64.86 64.49 1s5f h ILE 65 Cb 1.27 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.99 1s5f h ILE 65 CO 0.06 0.38 -0.34 -0.33 0.00 0.00 0.00 178.15 177.92 1s5f h GLU 66 N 0.17 0.72 -0.98 2.37 4.39 -1.57 -2.21 114.58 117.46 1s5f h GLU 66 Ca 0.04 -0.34 0.05 0.00 0.34 0.00 0.00 59.36 59.45 1s5f h GLU 66 Cb 0.65 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.23 1s5f h GLU 66 CO 0.04 0.95 0.64 -0.09 -1.16 0.00 0.00 179.01 179.39 1s5f h ARG 67 N 0.61 1.16 -0.03 2.33 2.43 -1.35 -2.54 114.38 116.99 1s5f h ARG 67 Ca 0.06 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 59.04 1s5f h ARG 67 Cb 0.86 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 1s5f h ARG 67 CO 0.07 0.77 -0.56 1.98 -1.51 0.00 0.00 179.97 180.72 1s5f h MET 68 N 1.19 0.08 -0.06 0.20 4.05 -0.74 -1.62 114.93 118.03 1s5f h MET 68 Ca 0.41 -0.05 -0.13 0.00 -0.28 0.00 0.00 59.70 59.65 1s5f h MET 68 Cb 0.09 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.88 1s5f h MET 68 CO -0.15 0.62 -0.54 0.87 0.23 0.00 0.00 176.91 177.94 1s5f h LYS 69 N 0.06 0.18 -0.08 0.39 1.57 -1.16 -2.60 116.57 114.94 1s5f h LYS 69 Ca -0.00 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1s5f h LYS 69 Cb 1.01 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.33 1s5f h LYS 69 CO 0.08 0.68 -0.02 -0.44 -0.57 0.00 0.00 179.45 179.17 1s5f h ASP 70 N 0.14 0.16 -0.78 0.86 3.32 -1.00 -2.72 116.42 116.40 1s5f h ASP 70 Ca 0.00 -0.37 0.04 0.00 0.02 0.00 0.00 57.03 56.73 1s5f h ASP 70 Cb 1.00 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.45 1s5f h ASP 70 CO 0.08 0.49 0.48 0.74 -1.72 0.00 0.00 179.24 179.31 1s5f h THR 71 N -0.17 1.08 -0.19 0.35 2.02 -1.25 -2.36 112.91 112.39 1s5f h THR 71 Ca 0.02 -0.32 -0.16 0.00 0.77 0.00 0.00 66.41 66.73 1s5f h THR 71 Cb 0.42 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1s5f h THR 71 CO 0.01 0.17 -0.50 -0.07 0.37 0.00 0.00 175.52 175.49 1s5f h LEU 72 N 0.92 0.77 -0.47 2.58 3.38 -1.50 0.34 115.31 121.35 1s5f h LEU 72 Ca 0.32 -0.58 0.05 0.00 0.09 0.00 0.00 57.88 57.76 1s5f h LEU 72 Cb 0.07 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1s5f h LEU 72 CO -0.14 1.21 0.22 -0.09 0.09 0.00 0.00 178.44 179.73 1s5f h ARG 73 N 0.37 0.42 0.00 1.13 2.43 -1.25 -0.99 114.38 116.49 1s5f h ARG 73 Ca -0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1s5f h ARG 73 Cb 1.12 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 1s5f h ARG 73 CO 0.11 0.28 -0.62 1.51 -1.51 0.00 0.00 179.97 179.73 1s5f n ILE 74 N -4.93 0.22 0.13 1.20 0.13 -0.91 -2.56 119.36 112.64 1s5f n ILE 74 Ca 0.04 -0.19 -0.21 0.00 -1.10 0.00 0.00 62.75 61.29 1s5f n ILE 74 Cb 0.14 0.01 -0.15 0.00 -0.84 0.00 0.00 39.64 38.80 1s5f n ILE 74 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1s5f h ALA 75 N 2.67 -0.03 -0.31 1.51 0.00 -0.79 -2.36 119.26 119.94 1s5f h ALA 75 Ca 0.00 -0.89 0.05 0.00 0.00 0.00 0.00 54.91 54.07 1s5f h ALA 75 Cb 0.67 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 1s5f h ALA 75 CO 0.00 0.84 0.03 -0.92 0.00 0.00 0.00 179.25 179.19 1s5f h TYR 76 N 0.11 0.03 -0.20 0.00 3.20 -1.14 -1.83 116.97 117.16 1s5f h TYR 76 Ca -0.21 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.59 1s5f h TYR 76 Cb 2.09 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 40.39 1s5f h TYR 76 CO 0.10 -0.02 -0.24 -0.07 -1.64 0.00 0.00 178.16 176.29 1s5f h LEU 77 N 0.13 0.55 0.00 2.82 3.38 -1.52 -2.44 115.31 118.23 1s5f h LEU 77 Ca 0.15 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1s5f h LEU 77 Cb 0.19 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1s5f h LEU 77 CO -0.23 0.93 0.00 0.35 0.09 0.00 0.00 178.44 179.59 1s5f n THR 78 N -4.41 0.06 -3.31 0.22 -2.24 -0.89 -4.88 114.28 98.83 1s5f n THR 78 Ca -0.05 0.01 -0.24 0.00 -2.27 0.00 0.00 64.05 61.50 1s5f n THR 78 Cb 0.43 -0.67 0.03 0.00 -2.10 0.00 0.00 70.33 68.02 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 -1.05 -5.05 -2.37 -0.78 1.02 -0.85 -4.92 120.64 106.64 1s5f n GLU 79 Ca 0.16 0.75 -0.41 0.00 -0.02 0.00 0.00 57.16 57.63 1s5f n GLU 79 Cb 0.09 -5.60 -0.03 0.00 -0.02 0.00 0.00 31.44 25.87 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 -3.15 3.44 -0.16 0.62 0.00 -0.75 -4.76 121.76 117.01 1s5f s ALA 80 Ca 0.42 0.94 -0.29 0.00 0.00 0.00 0.00 51.96 53.02 1s5f s ALA 80 Cb -0.20 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.48 1s5f s ALA 80 CO 0.52 -0.40 1.17 0.21 0.00 0.00 0.00 175.76 177.25 1s5f s LYS 81 N 0.18 4.28 -0.23 0.00 2.20 -1.26 -4.20 119.74 120.70 1s5f s LYS 81 Ca 0.55 1.56 -0.16 0.00 -0.36 0.00 0.00 55.97 57.56 1s5f s LYS 81 Cb -0.32 -3.67 -0.03 0.00 -1.51 0.00 0.00 37.83 32.29 1s5f s LYS 81 CO 0.34 -0.60 0.44 0.14 -0.36 0.00 0.00 175.35 175.31 1s5f s VAL 82 N 3.03 5.15 -0.02 4.02 -7.23 -1.05 -2.56 120.40 121.74 1s5f s VAL 82 Ca 0.51 0.75 -0.20 0.00 -1.81 0.00 0.00 61.98 61.23 1s5f s VAL 82 Cb -0.20 -3.76 -0.12 0.00 0.56 0.00 0.00 36.38 32.86 1s5f s VAL 82 CO 0.14 0.18 0.87 -0.08 -0.31 0.00 0.00 175.10 175.90 1s5f h GLU 83 N 7.75 -0.56 -3.75 4.82 4.81 -1.33 -1.89 114.58 124.43 1s5f h GLU 83 Ca -0.33 0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 58.80 1s5f h GLU 83 Cb 1.16 0.13 -0.19 0.00 0.63 0.00 0.00 28.75 30.47 1s5f h GLU 83 CO 0.70 -0.30 -0.54 0.15 -0.73 0.00 0.00 179.01 178.29 1s5f s LYS 84 N -3.87 0.52 -0.14 1.92 1.02 -1.16 -2.04 119.74 115.99 1s5f s LYS 84 Ca -0.11 -0.64 0.01 0.00 0.02 0.00 0.00 55.97 55.25 1s5f s LYS 84 Cb 0.01 0.20 0.02 0.00 -0.52 0.00 0.00 37.83 37.54 1s5f s LYS 84 CO 0.36 -0.12 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.99 1s5f s LEU 85 N -1.83 1.86 -0.05 3.17 1.43 -0.90 -1.38 118.68 120.98 1s5f s LEU 85 Ca -0.09 -0.53 -0.25 0.00 -1.03 0.00 0.00 54.13 52.23 1s5f s LEU 85 Cb -0.04 -1.27 -0.03 0.00 0.03 0.00 0.00 46.19 44.88 1s5f s LEU 85 CO -0.02 -0.00 0.79 0.00 0.23 0.00 0.00 176.35 177.34 1s5f s VAL 87 N 0.89 0.43 -0.32 0.00 -7.23 -0.44 -1.10 120.40 112.63 1s5f s VAL 87 Ca 0.42 -1.99 -0.11 0.00 -1.81 0.00 0.00 61.98 58.49 1s5f s VAL 87 Cb -0.19 -2.48 -0.02 0.00 0.56 0.00 0.00 36.38 34.25 1s5f s VAL 87 CO 0.21 -0.11 0.19 0.26 -0.31 0.00 0.00 175.10 175.34 1s5f s TRP 88 N -3.84 3.20 -2.27 2.82 0.51 0.07 -2.07 118.94 117.35 1s5f s TRP 88 Ca 0.35 -0.34 0.22 0.00 -2.12 0.00 0.00 56.10 54.21 1s5f s TRP 88 Cb 0.07 -2.40 0.91 0.00 -0.81 0.00 0.00 33.47 31.24 1s5f s TRP 88 CO 0.11 -0.38 1.64 0.27 -0.51 0.00 0.00 176.95 178.08 1s5f n ASN 89 N 5.04 1.33 -1.66 2.95 0.23 -1.11 -2.49 115.26 119.55 1s5f n ASN 89 Ca -0.13 -1.59 0.06 0.00 -0.53 0.00 0.00 54.58 52.39 1s5f n ASN 89 Cb 0.50 -0.06 0.35 0.00 -2.08 0.00 0.00 39.78 38.48 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 0.08 4.95 -4.41 0.53 6.94 -1.26 -4.89 115.26 117.20 1s5f n ASN 90 Ca 0.17 -2.73 -0.21 0.00 -0.02 0.00 0.00 54.58 51.79 1s5f n ASN 90 Cb 0.29 -0.64 -0.10 0.00 -2.36 0.00 0.00 39.78 36.97 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 -2.39 1.50 -0.24 -3.83 -0.14 -1.24 -5.10 119.74 108.29 1s5f s LYS 91 Ca 0.47 -1.72 -0.01 0.00 -1.36 0.00 0.00 55.97 53.34 1s5f s LYS 91 Cb 0.35 -1.24 0.07 0.00 -1.68 0.00 0.00 37.83 35.33 1s5f s LYS 91 CO 0.15 0.13 0.04 0.99 -0.76 0.00 0.00 175.35 175.90 1s5f s THR 92 N -2.92 0.86 0.93 2.17 2.01 -1.26 -3.05 115.64 114.38 1s5f s THR 92 Ca 0.27 -0.99 -0.14 0.00 0.31 0.00 0.00 61.69 61.15 1s5f s THR 92 Cb 0.01 -1.41 0.15 0.00 0.01 0.00 0.00 72.50 71.26 1s5f s THR 92 CO 0.11 -0.35 1.18 -2.16 -0.69 0.00 0.00 174.62 172.71 1s5f s PRO 93 N 1.68 1.00 0.32 4.92 0.04 -1.26 -5.09 135.00 136.60 1s5f s PRO 93 Ca 0.02 0.09 -0.29 0.00 0.04 0.00 0.00 61.00 60.85 1s5f s PRO 93 Cb -0.18 -1.84 -0.12 0.00 0.04 0.00 0.00 34.50 32.41 1s5f s PRO 93 CO -0.13 -2.26 1.56 0.72 0.04 0.00 0.00 177.00 176.93 1s5f n HIS 94 N -3.77 2.87 -3.80 0.56 8.25 -1.17 -4.60 115.22 113.56 1s5f n HIS 94 Ca 0.09 0.31 -0.36 0.00 -0.26 0.00 0.00 57.72 57.50 1s5f n HIS 94 Cb 0.60 -2.57 -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 -0.33 3.79 0.19 -1.41 0.00 -1.04 -1.85 121.76 121.11 1s5f s ALA 95 Ca 0.61 -0.66 -0.30 0.00 0.00 0.00 0.00 51.96 51.61 1s5f s ALA 95 Cb -0.49 -2.07 -0.08 0.00 0.00 0.00 0.00 23.12 20.48 1s5f s ALA 95 CO 0.53 0.40 1.13 0.42 0.00 0.00 0.00 175.76 178.25 1s5f s ILE 96 N -0.38 3.75 -0.09 0.00 1.01 0.00 -0.75 121.20 124.73 1s5f s ILE 96 Ca 0.12 1.51 0.05 0.00 0.00 0.00 0.00 60.65 62.33 1s5f s ILE 96 Cb -0.12 -3.96 -0.09 0.00 0.01 0.00 0.00 42.46 38.30 1s5f s ILE 96 CO 0.01 0.26 -0.01 0.00 0.00 0.00 0.00 174.94 175.21 1s5f n ALA 97 N 2.34 1.79 -3.37 9.38 0.00 -0.26 -4.84 120.51 125.56 1s5f n ALA 97 Ca 0.03 -0.51 -0.12 0.00 0.00 0.00 0.00 53.44 52.84 1s5f n ALA 97 Cb 0.46 0.13 -0.02 0.00 0.00 0.00 0.00 19.45 20.01 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 -2.20 -1.51 0.03 0.00 0.00 -0.98 -4.99 121.76 112.11 1s5f s ALA 98 Ca -0.07 0.42 0.04 0.00 0.00 0.00 0.00 51.96 52.35 1s5f s ALA 98 Cb 0.03 0.87 -0.02 0.00 0.00 0.00 0.00 23.12 23.99 1s5f s ALA 98 CO 0.31 -0.76 -0.11 -1.50 0.00 0.00 0.00 175.76 173.70 1s5f s ILE 99 N -3.76 0.87 0.07 0.00 2.07 -1.26 -1.71 121.20 117.48 1s5f s ILE 99 Ca 0.01 -0.88 0.09 0.00 -1.41 0.00 0.00 60.65 58.46 1s5f s ILE 99 Cb -0.01 -0.81 -0.03 0.00 0.13 0.00 0.00 42.46 41.74 1s5f s ILE 99 CO -0.13 -0.06 -0.23 -0.94 -1.91 0.00 0.00 174.94 171.67 1s5f s SER 100 N -1.05 2.82 -0.09 4.50 1.04 -0.48 -5.01 113.70 115.43 1s5f s SER 100 Ca -0.01 -0.61 0.01 0.00 0.48 0.00 0.00 55.95 55.82 1s5f s SER 100 Cb -0.07 -0.22 0.02 0.00 0.10 0.00 0.00 66.02 65.85 1s5f s SER 100 CO 0.01 0.17 -0.10 -0.04 0.98 0.00 0.00 173.24 174.26 1s5f s MET 101 N -1.48 1.67 -0.15 4.02 1.00 -1.26 -1.07 119.30 122.02 1s5f s MET 101 Ca 0.10 -0.35 -0.27 0.00 0.00 0.00 0.00 55.69 55.16 1s5f s MET 101 Cb -0.10 -1.53 0.07 0.00 0.00 0.00 0.00 34.83 33.27 1s5f s MET 101 CO 0.03 -0.12 0.67 0.00 0.00 0.00 0.00 175.02 175.60 1s5f s ALA 102 N 1.16 -1.69 0.00 3.03 0.00 -1.06 -4.85 121.76 118.35 1s5f s ALA 102 Ca -0.05 1.57 0.00 0.00 0.00 0.00 0.00 51.96 53.48 1s5f s ALA 102 Cb -0.14 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.44 1s5f s ALA 102 CO -0.02 -0.34 0.00 0.09 0.00 0.00 0.00 175.76 175.48