#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pzk n PRO 2 N 0.00 0.62 0.00 -2.82 -0.04 -1.26 -4.94 135.00 126.55 1pzk n PRO 2 Ca 0.00 0.27 0.07 0.00 -0.04 0.00 0.00 63.50 63.80 1pzk n PRO 2 Cb 0.00 -2.36 0.04 0.00 -0.04 0.00 0.00 33.50 31.15 1pzk n PRO 2 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1pzk n GLN 3 N -2.17 1.26 -3.83 0.54 6.02 -1.26 -4.95 117.38 112.99 1pzk n GLN 3 Ca 0.14 -1.20 -0.07 0.00 -0.01 0.00 0.00 57.00 55.86 1pzk n GLN 3 Cb 0.49 -1.26 -0.02 0.00 1.02 0.00 0.00 30.24 30.47 1pzk n GLN 3 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1pzk s ASN 4 N -1.36 -0.28 0.35 1.08 2.20 -1.26 -5.06 114.94 110.61 1pzk s ASN 4 Ca 0.16 -0.57 0.03 0.00 -0.94 0.00 0.00 52.86 51.54 1pzk s ASN 4 Cb 0.12 0.72 0.64 0.00 -2.00 0.00 0.00 41.25 40.73 1pzk s ASN 4 CO 0.23 -1.32 1.96 -0.29 -2.94 0.00 0.00 177.10 174.74 1pzk h ILE 5 N 2.00 1.17 -0.23 0.54 2.10 -1.95 -1.84 117.51 119.30 1pzk h ILE 5 Ca -0.20 -0.48 -0.06 0.00 1.08 0.00 0.00 64.86 65.19 1pzk h ILE 5 Cb 1.25 0.56 -0.01 0.00 -1.09 0.00 0.00 36.82 37.54 1pzk h ILE 5 CO 0.24 0.20 -0.10 0.74 -1.08 0.00 0.00 178.15 178.15 1pzk h THR 6 N 0.68 1.30 -0.59 2.19 2.02 -1.99 -0.03 112.91 116.48 1pzk h THR 6 Ca 0.17 -1.15 -0.09 0.00 0.77 0.00 0.00 66.41 66.11 1pzk h THR 6 Cb 0.09 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 1pzk h THR 6 CO -0.02 0.35 0.03 0.44 0.37 0.00 0.00 175.52 176.69 1pzk h ASP 7 N 0.20 0.98 -0.28 4.18 3.32 -1.95 -2.16 116.42 120.71 1pzk h ASP 7 Ca 0.05 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 1pzk h ASP 7 Cb 0.58 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1pzk h ASP 7 CO 0.03 1.02 0.11 0.25 -1.72 0.00 0.00 179.24 178.94 1pzk h LEU 8 N 0.94 0.39 -1.30 1.55 6.46 -1.21 -2.96 115.31 119.18 1pzk h LEU 8 Ca 0.17 -0.17 0.02 0.00 -0.12 0.00 0.00 57.88 57.78 1pzk h LEU 8 Cb 0.51 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 40.30 1pzk h LEU 8 CO 0.02 0.45 0.48 0.00 -0.62 0.00 0.00 178.44 178.78 1pzk h ALA 10 N 1.56 1.00 0.00 0.00 0.00 -1.21 -2.48 119.26 118.13 1pzk h ALA 10 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1pzk h ALA 10 Cb -0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1pzk h ALA 10 CO -0.07 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.57 1pzk n GLU 11 N -2.66 0.27 -4.32 0.00 1.02 -0.66 -4.87 120.64 109.42 1pzk n GLU 11 Ca -0.01 0.04 -0.28 0.00 -0.02 0.00 0.00 57.16 56.90 1pzk n GLU 11 Cb 0.15 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 29.96 1pzk n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1pzk s TYR 12 N -2.70 2.53 0.43 -0.32 1.51 -0.93 -5.12 117.35 112.75 1pzk s TYR 12 Ca 0.21 -0.26 -0.21 0.00 -1.01 0.00 0.00 57.07 55.80 1pzk s TYR 12 Cb 0.18 -1.28 -0.11 0.00 -0.11 0.00 0.00 41.96 40.64 1pzk s TYR 12 CO 0.42 0.47 0.96 -1.58 -1.11 0.00 0.00 175.55 174.71 1pzk s HIS 13 N -1.51 3.30 -1.56 2.71 2.46 -1.26 -4.17 115.29 115.25 1pzk s HIS 13 Ca 0.22 1.62 -0.05 0.00 0.47 0.00 0.00 55.06 57.32 1pzk s HIS 13 Cb -0.09 -2.88 0.01 0.00 -0.13 0.00 0.00 32.58 29.48 1pzk s HIS 13 CO 0.12 -0.18 0.63 0.09 -2.47 0.00 0.00 174.74 172.93 1pzk n ASN 14 N -0.60 -6.17 -4.54 9.88 3.02 -1.26 -4.95 115.26 110.65 1pzk n ASN 14 Ca 0.07 -0.29 -0.24 0.00 -0.03 0.00 0.00 54.58 54.08 1pzk n ASN 14 Cb 0.54 -4.97 -0.10 0.00 -0.61 0.00 0.00 39.78 34.64 1pzk n ASN 14 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1pzk s THR 15 N -3.19 2.56 0.11 3.41 -4.23 -1.26 -1.00 115.64 112.05 1pzk s THR 15 Ca 0.31 -2.23 -0.16 0.00 -1.18 0.00 0.00 61.69 58.44 1pzk s THR 15 Cb -0.14 -2.54 0.03 0.00 1.34 0.00 0.00 72.50 71.20 1pzk s THR 15 CO 0.38 -0.31 0.39 0.00 -0.54 0.00 0.00 174.62 174.54 1pzk s GLN 16 N -3.59 1.03 -0.06 3.99 -2.07 -0.46 -4.89 119.66 113.60 1pzk s GLN 16 Ca 0.32 -0.66 -0.18 0.00 -1.82 0.00 0.00 55.36 53.01 1pzk s GLN 16 Cb -0.02 0.45 -0.05 0.00 -1.09 0.00 0.00 33.01 32.30 1pzk s GLN 16 CO 0.17 -0.39 0.50 0.42 -1.32 0.00 0.00 175.29 174.67 1pzk s ILE 17 N -3.57 5.08 -0.12 3.63 -1.09 -1.26 -1.23 121.20 122.63 1pzk s ILE 17 Ca 0.02 1.03 -0.02 0.00 -2.23 0.00 0.00 60.65 59.45 1pzk s ILE 17 Cb 0.02 -3.84 -0.03 0.00 -1.58 0.00 0.00 42.46 37.03 1pzk s ILE 17 CO -0.10 0.39 -0.05 -1.00 -1.23 0.00 0.00 174.94 172.95 1pzk s HIS 18 N 0.11 3.00 -0.27 3.97 3.76 -0.12 -5.00 115.29 120.75 1pzk s HIS 18 Ca 0.27 -0.17 -0.08 0.00 -0.15 0.00 0.00 55.06 54.92 1pzk s HIS 18 Cb -0.16 -1.86 -0.02 0.00 1.11 0.00 0.00 32.58 31.64 1pzk s HIS 18 CO 0.13 0.11 0.11 0.99 -0.85 0.00 0.00 174.74 175.23 1pzk s THR 19 N -0.11 4.51 -0.25 1.30 2.01 -1.26 -1.22 115.64 120.63 1pzk s THR 19 Ca 0.02 -0.20 -0.12 0.00 0.31 0.00 0.00 61.69 61.69 1pzk s THR 19 Cb -0.13 -3.17 -0.11 0.00 0.01 0.00 0.00 72.50 69.10 1pzk s THR 19 CO 0.03 0.25 -0.32 0.18 -0.69 0.00 0.00 174.62 174.07 1pzk n LEU 20 N 4.96 1.74 -4.09 4.42 7.99 0.27 -5.01 117.00 127.28 1pzk n LEU 20 Ca -0.15 0.30 -0.27 0.00 -0.01 0.00 0.00 56.01 55.87 1pzk n LEU 20 Cb 0.51 -0.73 -0.05 0.00 -0.11 0.00 0.00 43.42 43.04 1pzk n LEU 20 CO 0.32 0.51 -0.32 0.59 -1.51 0.00 0.00 177.39 176.98 1pzk n ASN 21 N -4.11 0.10 -3.58 -1.43 3.02 0.42 -4.95 115.26 104.72 1pzk n ASN 21 Ca -0.49 -1.10 -0.14 0.00 -0.03 0.00 0.00 54.58 52.82 1pzk n ASN 21 Cb 0.84 -2.53 -0.05 0.00 -0.61 0.00 0.00 39.78 37.43 1pzk n ASN 21 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1pzk s ASP 22 N -4.36 -0.44 0.77 6.41 2.15 -0.84 -4.90 116.67 115.45 1pzk s ASP 22 Ca 0.02 0.19 -0.11 0.00 0.43 0.00 0.00 52.55 53.08 1pzk s ASP 22 Cb -0.01 0.49 0.05 0.00 -0.30 0.00 0.00 42.92 43.15 1pzk s ASP 22 CO 0.93 -0.71 1.09 -1.59 -0.17 0.00 0.00 175.17 174.72 1pzk s LYS 23 N -2.38 2.30 0.12 4.34 -2.85 -1.26 -0.63 119.74 119.37 1pzk s LYS 23 Ca -0.06 1.11 -0.30 0.00 -1.00 0.00 0.00 55.97 55.72 1pzk s LYS 23 Cb -0.01 -1.91 -0.07 0.00 -2.06 0.00 0.00 37.83 33.79 1pzk s LYS 23 CO -0.01 -1.60 1.20 0.42 0.10 0.00 0.00 175.35 175.46 1pzk s ILE 24 N -2.93 3.80 0.00 3.79 1.01 -1.26 -4.71 121.20 120.90 1pzk s ILE 24 Ca 0.61 1.39 -0.19 0.00 0.00 0.00 0.00 60.65 62.46 1pzk s ILE 24 Cb -0.17 -3.89 -0.29 0.00 0.01 0.00 0.00 42.46 38.13 1pzk s ILE 24 CO 0.56 0.16 1.02 0.15 0.00 0.00 0.00 174.94 176.83 1pzk h PHE 25 N 6.10 0.74 -3.40 3.97 3.57 -0.93 -3.48 116.94 123.53 1pzk h PHE 25 Ca -0.43 -0.48 -0.14 0.00 3.53 0.00 0.00 57.97 60.45 1pzk h PHE 25 Cb 1.21 -0.05 -0.21 0.00 2.79 0.00 0.00 35.95 39.69 1pzk h PHE 25 CO 0.65 1.34 -0.45 -1.54 -2.23 0.00 0.00 178.31 176.08 1pzk s SER 26 N -7.10 -0.03 -0.10 0.41 1.04 -1.10 -4.97 113.70 101.84 1pzk s SER 26 Ca -0.12 -0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.22 1pzk s SER 26 Cb 0.03 0.24 0.02 0.00 0.10 0.00 0.00 66.02 66.41 1pzk s SER 26 CO 0.87 -0.36 -0.14 -0.47 0.98 0.00 0.00 173.24 174.12 1pzk s TYR 27 N -1.27 1.81 -0.03 5.02 5.04 -1.26 -1.82 117.35 124.85 1pzk s TYR 27 Ca -0.13 -0.84 0.05 0.00 -2.44 0.00 0.00 57.07 53.71 1pzk s TYR 27 Cb -0.07 -1.33 -0.01 0.00 0.35 0.00 0.00 41.96 40.90 1pzk s TYR 27 CO 0.02 -0.45 -0.17 0.99 -1.34 0.00 0.00 175.55 174.60 1pzk s THR 28 N 1.04 1.35 0.03 4.34 2.01 0.03 -5.01 115.64 119.44 1pzk s THR 28 Ca -0.06 -0.70 -0.02 0.00 0.31 0.00 0.00 61.69 61.23 1pzk s THR 28 Cb -0.15 -1.15 -0.02 0.00 0.01 0.00 0.00 72.50 71.20 1pzk s THR 28 CO -0.02 0.39 0.00 -1.83 -0.69 0.00 0.00 174.62 172.47 1pzk s GLU 29 N -0.13 0.41 -0.02 4.92 -1.05 -1.26 -0.79 118.70 120.78 1pzk s GLU 29 Ca 0.01 -0.71 0.03 0.00 -0.15 0.00 0.00 54.97 54.14 1pzk s GLU 29 Cb -0.09 0.15 -0.01 0.00 -0.44 0.00 0.00 34.13 33.74 1pzk s GLU 29 CO 0.01 -0.08 -0.11 0.45 0.95 0.00 0.00 175.26 176.48 1pzk s SER 30 N -1.79 1.38 0.00 0.83 0.15 -0.75 -5.01 113.70 108.51 1pzk s SER 30 Ca -0.10 -0.21 0.14 0.00 0.70 0.00 0.00 55.95 56.47 1pzk s SER 30 Cb -0.06 -0.22 0.32 0.00 -1.71 0.00 0.00 66.02 64.35 1pzk s SER 30 CO -0.03 0.13 1.23 0.00 1.20 0.00 0.00 173.24 175.77 1pzk n LEU 31 N 2.94 2.94 -4.77 3.45 -0.00 -1.26 -3.02 117.00 117.28 1pzk n LEU 31 Ca -0.15 -1.75 -0.39 0.00 -0.00 0.00 0.00 56.01 53.73 1pzk n LEU 31 Cb 0.55 -0.22 -0.00 0.00 -0.00 0.00 0.00 43.42 43.75 1pzk n LEU 31 CO 0.25 0.70 0.91 0.00 -0.00 0.00 0.00 177.39 179.25 1pzk s ALA 32 N -1.05 3.13 0.14 1.47 0.00 -1.26 -4.82 121.76 119.37 1pzk s ALA 32 Ca 0.26 1.13 -0.31 0.00 0.00 0.00 0.00 51.96 53.04 1pzk s ALA 32 Cb 0.15 -3.45 -0.10 0.00 0.00 0.00 0.00 23.12 19.71 1pzk s ALA 32 CO 0.20 -0.79 1.69 0.20 0.00 0.00 0.00 175.76 177.05 1pzk s GLY 33 N -0.96 1.43 0.00 0.00 0.00 -1.26 -1.08 107.32 105.45 1pzk s GLY 33 Ca 0.60 1.39 0.00 0.00 0.00 0.00 0.00 44.72 46.71 1pzk s GLY 33 CO 0.44 2.88 0.00 0.28 0.00 0.00 0.00 173.10 176.69 1pzk n LYS 34 N 4.82 -0.13 -2.48 2.90 4.76 -1.26 -4.84 118.16 121.93 1pzk n LYS 34 Ca 0.16 0.03 -0.13 0.00 -2.87 0.00 0.00 58.31 55.49 1pzk n LYS 34 Cb 0.38 -3.08 0.03 0.00 -1.84 0.00 0.00 35.03 30.53 1pzk n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1pzk n ARG 35 N -2.04 2.54 -2.70 1.97 5.12 -0.24 -4.97 116.66 116.34 1pzk n ARG 35 Ca 0.00 -3.84 -0.42 0.00 -1.93 0.00 0.00 57.85 51.65 1pzk n ARG 35 Cb 0.03 -1.88 -0.02 0.00 -1.16 0.00 0.00 32.46 29.43 1pzk n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1pzk s GLU 36 N -3.60 3.67 0.22 5.56 8.01 -1.17 -4.31 118.70 127.08 1pzk s GLU 36 Ca 0.38 -1.52 -0.11 0.00 0.01 0.00 0.00 54.97 53.74 1pzk s GLU 36 Cb 0.38 -5.22 -0.01 0.00 -4.31 0.00 0.00 34.13 24.97 1pzk s GLU 36 CO -0.02 -2.05 0.39 0.00 0.01 0.00 0.00 175.26 173.59 1pzk s MET 37 N 3.95 1.39 0.13 1.61 0.23 -1.17 -4.19 119.30 121.26 1pzk s MET 37 Ca 0.43 -1.24 0.08 0.00 -1.03 0.00 0.00 55.69 53.93 1pzk s MET 37 Cb -0.01 0.43 -0.04 0.00 -1.53 0.00 0.00 34.83 33.68 1pzk s MET 37 CO -0.07 -0.55 -0.19 0.00 -2.03 0.00 0.00 175.02 172.18 1pzk s ALA 38 N -4.01 1.88 -0.04 3.16 0.00 -1.19 -1.81 121.76 119.75 1pzk s ALA 38 Ca 0.22 -1.36 0.01 0.00 0.00 0.00 0.00 51.96 50.83 1pzk s ALA 38 Cb 0.01 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.94 1pzk s ALA 38 CO 0.06 0.29 -0.06 0.42 0.00 0.00 0.00 175.76 176.47 1pzk s ILE 39 N -1.62 0.60 0.17 0.00 1.01 0.03 -0.99 121.20 120.40 1pzk s ILE 39 Ca 0.11 -0.19 0.10 0.00 0.00 0.00 0.00 60.65 60.67 1pzk s ILE 39 Cb -0.08 -0.59 -0.04 0.00 0.01 0.00 0.00 42.46 41.76 1pzk s ILE 39 CO 0.05 0.23 -0.22 0.27 0.00 0.00 0.00 174.94 175.27 1pzk s ILE 40 N 0.68 2.09 0.21 2.92 -4.36 -0.12 -0.79 121.20 121.84 1pzk s ILE 40 Ca -0.10 -1.94 0.04 0.00 -0.26 0.00 0.00 60.65 58.39 1pzk s ILE 40 Cb -0.13 -1.96 -0.05 0.00 1.25 0.00 0.00 42.46 41.57 1pzk s ILE 40 CO 0.01 -0.18 -0.02 0.42 0.24 0.00 0.00 174.94 175.40 1pzk s THR 41 N -1.75 1.03 0.29 8.37 -4.23 -0.76 -1.00 115.64 117.58 1pzk s THR 41 Ca 0.17 -2.04 0.12 0.00 -1.18 0.00 0.00 61.69 58.76 1pzk s THR 41 Cb -0.07 -2.22 -0.05 0.00 1.34 0.00 0.00 72.50 71.49 1pzk s THR 41 CO 0.08 -0.42 -0.17 -0.36 -0.54 0.00 0.00 174.62 173.20 1pzk s PHE 42 N -3.42 2.33 0.02 3.99 0.08 -0.52 -0.23 117.98 120.22 1pzk s PHE 42 Ca 0.26 -0.34 0.32 0.00 0.12 0.00 0.00 56.93 57.28 1pzk s PHE 42 Cb 0.05 -1.05 1.45 0.00 -0.57 0.00 0.00 43.02 42.90 1pzk s PHE 42 CO 0.07 0.70 1.95 1.57 -0.10 0.00 0.00 175.22 179.40 1pzk h LYS 43 N 2.21 0.00 0.00 0.44 2.10 -1.89 0.12 116.57 119.55 1pzk h LYS 43 Ca -0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 1pzk h LYS 43 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1pzk h LYS 43 CO 0.61 0.00 0.00 0.27 -2.00 0.00 0.00 179.45 178.33 1pzk n ASN 44 N -2.76 0.00 0.00 7.07 0.23 -1.26 -4.89 115.26 113.65 1pzk n ASN 44 Ca 0.00 -0.55 0.00 0.00 -0.53 0.00 0.00 54.58 53.50 1pzk n ASN 44 Cb 0.21 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 1pzk n ASN 44 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pzk n GLY 45 N 0.54 0.60 3.75 4.83 0.00 0.03 -5.05 105.19 109.89 1pzk n GLY 45 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1pzk n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pzk s ALA 46 N -2.17 3.61 -0.05 4.61 0.00 -1.24 -4.78 121.76 121.73 1pzk s ALA 46 Ca 0.00 1.32 0.05 0.00 0.00 0.00 0.00 51.96 53.33 1pzk s ALA 46 Cb 0.00 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.57 1pzk s ALA 46 CO 0.00 -0.73 -0.21 0.99 0.00 0.00 0.00 175.76 175.81 1pzk s THR 47 N -0.15 1.72 0.06 0.00 2.01 -1.26 -1.44 115.64 116.57 1pzk s THR 47 Ca 0.58 -0.88 0.02 0.00 0.31 0.00 0.00 61.69 61.72 1pzk s THR 47 Cb -0.41 -1.47 -0.03 0.00 0.01 0.00 0.00 72.50 70.60 1pzk s THR 47 CO 0.45 0.49 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.43 1pzk s PHE 48 N -0.03 0.69 0.20 4.92 0.08 -0.17 -4.12 117.98 119.54 1pzk s PHE 48 Ca -0.04 -0.65 0.11 0.00 0.12 0.00 0.00 56.93 56.47 1pzk s PHE 48 Cb -0.13 -0.42 -0.04 0.00 -0.57 0.00 0.00 43.02 41.86 1pzk s PHE 48 CO 0.03 -0.13 -0.23 1.14 -0.10 0.00 0.00 175.22 175.93 1pzk s GLN 49 N -2.34 1.56 -0.31 0.44 -2.07 -0.58 -0.94 119.66 115.42 1pzk s GLN 49 Ca -0.03 -1.54 -0.13 0.00 -1.82 0.00 0.00 55.36 51.84 1pzk s GLN 49 Cb -0.05 -1.85 -0.03 0.00 -1.09 0.00 0.00 33.01 29.99 1pzk s GLN 49 CO -0.02 0.39 0.26 0.08 -1.32 0.00 0.00 175.29 174.69 1pzk s VAL 50 N -1.75 5.26 0.66 3.63 1.01 -0.17 -0.68 120.40 128.36 1pzk s VAL 50 Ca 0.22 0.06 -0.17 0.00 0.00 0.00 0.00 61.98 62.08 1pzk s VAL 50 Cb -0.08 -3.67 -0.00 0.00 0.00 0.00 0.00 36.38 32.63 1pzk s VAL 50 CO 0.11 0.08 1.22 -1.61 0.00 0.00 0.00 175.10 174.89 1pzk s GLU 51 N 1.83 2.57 0.29 2.72 2.02 -1.26 -3.14 118.70 123.73 1pzk s GLU 51 Ca 0.08 1.82 -0.30 0.00 0.02 0.00 0.00 54.97 56.59 1pzk s GLU 51 Cb -0.17 -1.88 -0.12 0.00 0.10 0.00 0.00 34.13 32.07 1pzk s GLU 51 CO 0.11 -1.52 1.58 0.28 0.02 0.00 0.00 175.26 175.73 1pzk n VAL 52 N -2.12 1.06 -1.74 2.63 0.31 -1.26 -4.88 118.33 112.32 1pzk n VAL 52 Ca 0.14 -0.26 -0.42 0.00 -0.01 0.00 0.00 64.34 63.78 1pzk n VAL 52 Cb 0.50 -1.93 -0.01 0.00 -0.91 0.00 0.00 33.84 31.48 1pzk n VAL 52 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1pzk n PRO 53 N 2.07 2.65 -2.29 5.55 -0.02 -1.26 -4.96 135.00 136.74 1pzk n PRO 53 Ca 0.08 0.94 -0.05 0.00 -2.02 0.00 0.00 63.50 62.46 1pzk n PRO 53 Cb 0.36 -2.71 -0.00 0.00 -0.02 0.00 0.00 33.50 31.13 1pzk n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pzk n GLY 54 N 1.95 2.26 0.00 -1.23 0.00 -1.26 -5.03 105.19 101.88 1pzk n GLY 54 Ca 0.08 -1.31 0.08 0.00 0.00 0.00 0.00 46.02 44.86 1pzk n GLY 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pzk n SER 55 N -1.62 0.00 0.00 1.61 3.41 -1.26 -1.16 113.62 114.60 1pzk n SER 55 Ca -0.01 0.33 0.13 0.00 -0.26 0.00 0.00 58.87 59.06 1pzk n SER 55 Cb 0.22 -0.42 0.74 0.00 -0.26 0.00 0.00 64.21 64.49 1pzk n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pzk n GLN 56 N -1.42 0.60 -4.76 4.33 0.00 -1.26 -4.81 117.38 110.06 1pzk n GLN 56 Ca 0.05 0.02 -0.33 0.00 0.00 0.00 0.00 57.00 56.74 1pzk n GLN 56 Cb 0.16 -1.50 -0.13 0.00 0.00 0.00 0.00 30.24 28.77 1pzk n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1pzk s HIS 57 N -2.31 2.81 0.47 2.61 3.76 -0.31 -5.13 115.29 117.19 1pzk s HIS 57 Ca 0.33 -0.25 -0.02 0.00 -0.15 0.00 0.00 55.06 54.97 1pzk s HIS 57 Cb 0.18 -1.73 -0.01 0.00 1.11 0.00 0.00 32.58 32.13 1pzk s HIS 57 CO 0.37 0.10 0.72 0.96 -0.85 0.00 0.00 174.74 176.04 1pzk s ILE 58 N -0.39 4.24 0.24 0.60 -4.36 -1.26 -4.87 121.20 115.41 1pzk s ILE 58 Ca 0.05 -0.28 -0.04 0.00 -0.26 0.00 0.00 60.65 60.11 1pzk s ILE 58 Cb -0.12 -3.59 0.22 0.00 1.25 0.00 0.00 42.46 40.22 1pzk s ILE 58 CO 0.02 -0.48 1.71 0.44 0.24 0.00 0.00 174.94 176.87 1pzk h ASP 59 N 0.31 0.15 0.18 4.36 5.19 -2.00 0.84 116.42 125.45 1pzk h ASP 59 Ca -0.47 0.13 -0.01 0.00 -0.62 0.00 0.00 57.03 56.06 1pzk h ASP 59 Cb 1.24 0.14 -0.00 0.00 0.18 0.00 0.00 39.33 40.89 1pzk h ASP 59 CO 0.59 0.03 -0.05 0.77 -3.12 0.00 0.00 179.24 177.47 1pzk h SER 60 N 0.35 0.00 1.59 6.45 4.64 -2.04 -2.00 113.55 122.53 1pzk h SER 60 Ca 0.42 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.71 1pzk h SER 60 Cb 0.67 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1pzk h SER 60 CO -0.46 0.05 -0.11 1.56 -0.87 0.00 0.00 176.83 177.00 1pzk h GLN 61 N 0.00 0.00 -0.17 4.77 4.20 -1.20 -3.35 115.11 119.36 1pzk h GLN 61 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1pzk h GLN 61 Cb 0.15 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1pzk h GLN 61 CO 0.01 0.11 0.11 0.87 -0.67 0.00 0.00 178.83 179.25 1pzk h LYS 62 N 0.00 0.22 -0.34 1.46 1.79 -1.34 0.18 116.57 118.55 1pzk h LYS 62 Ca -0.00 -0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 58.39 1pzk h LYS 62 Cb 0.93 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.51 1pzk h LYS 62 CO 0.01 0.16 -0.05 1.57 -1.08 0.00 0.00 179.45 180.06 1pzk h LYS 63 N 0.22 0.55 -0.11 3.15 2.10 -1.75 -2.60 116.57 118.13 1pzk h LYS 63 Ca 0.06 -0.14 -0.12 0.00 -2.00 0.00 0.00 60.65 58.45 1pzk h LYS 63 Cb -0.01 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 31.24 1pzk h LYS 63 CO -0.01 0.62 -0.47 0.00 -2.00 0.00 0.00 179.45 177.58 1pzk h ALA 64 N 1.43 1.00 -0.47 0.07 0.00 -1.47 -0.51 119.26 119.31 1pzk h ALA 64 Ca 0.10 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1pzk h ALA 64 Cb 0.42 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1pzk h ALA 64 CO 0.02 0.64 0.15 0.82 0.00 0.00 0.00 179.25 180.88 1pzk h ILE 65 N 0.22 1.22 -0.71 0.00 2.04 -0.36 -0.49 117.51 119.44 1pzk h ILE 65 Ca 0.01 -0.75 -0.06 0.00 1.00 0.00 0.00 64.86 65.07 1pzk h ILE 65 Cb 0.91 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 1pzk h ILE 65 CO 0.07 0.27 0.23 -0.33 0.00 0.00 0.00 178.15 178.39 1pzk h GLU 66 N 0.63 1.10 -0.83 2.37 4.39 -1.11 -2.64 114.58 118.48 1pzk h GLU 66 Ca 0.15 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 1pzk h GLU 66 Cb 0.26 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.71 1pzk h GLU 66 CO -0.01 0.94 0.52 -0.09 -1.16 0.00 0.00 179.01 179.21 1pzk h ARG 67 N 1.04 1.12 -0.74 2.33 2.43 -0.87 -2.19 114.38 117.50 1pzk h ARG 67 Ca 0.23 -0.09 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 1pzk h ARG 67 Cb 0.30 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 1pzk h ARG 67 CO -0.01 0.78 0.35 1.98 -1.51 0.00 0.00 179.97 181.56 1pzk h MET 68 N 1.14 1.07 -0.48 0.20 4.05 -0.76 0.13 114.93 120.28 1pzk h MET 68 Ca 0.30 -0.16 -0.06 0.00 -0.28 0.00 0.00 59.70 59.50 1pzk h MET 68 Cb -0.07 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.52 1pzk h MET 68 CO -0.06 0.83 0.05 0.87 0.23 0.00 0.00 176.91 178.83 1pzk h LYS 69 N 1.04 0.76 -0.56 0.39 1.57 -1.25 -0.10 116.57 118.42 1pzk h LYS 69 Ca 0.25 -0.18 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1pzk h LYS 69 Cb 0.12 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 1pzk h LYS 69 CO -0.03 0.74 0.37 -0.44 -0.57 0.00 0.00 179.45 179.51 1pzk h ASP 70 N 0.72 0.63 -0.39 0.86 3.32 -0.70 -1.92 116.42 118.94 1pzk h ASP 70 Ca 0.15 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 1pzk h ASP 70 Cb 0.37 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1pzk h ASP 70 CO 0.01 0.45 0.08 0.74 -1.72 0.00 0.00 179.24 178.80 1pzk h THR 71 N 0.74 1.23 -0.65 0.35 2.02 -0.21 -2.16 112.91 114.24 1pzk h THR 71 Ca 0.21 -0.81 -0.07 0.00 0.77 0.00 0.00 66.41 66.50 1pzk h THR 71 Cb -0.08 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 1pzk h THR 71 CO -0.05 0.28 0.12 -0.07 0.37 0.00 0.00 175.52 176.17 1pzk h LEU 72 N 0.48 1.01 -0.22 2.58 3.38 -0.94 0.71 115.31 122.32 1pzk h LEU 72 Ca 0.12 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1pzk h LEU 72 Cb 0.33 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1pzk h LEU 72 CO 0.00 1.01 0.09 -0.09 0.09 0.00 0.00 178.44 179.54 1pzk h ARG 73 N 0.98 0.33 -0.01 1.13 2.43 -1.16 -0.51 114.38 117.57 1pzk h ARG 73 Ca 0.20 -0.06 -0.16 0.00 -0.81 0.00 0.00 59.98 59.15 1pzk h ARG 73 Cb 0.41 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 1pzk h ARG 73 CO 0.01 0.37 -0.74 0.97 -1.51 0.00 0.00 179.97 179.07 1pzk h ILE 74 N 0.21 1.49 -0.53 1.20 2.10 -1.25 -1.20 117.51 119.54 1pzk h ILE 74 Ca 0.08 -2.43 -0.01 0.00 1.08 0.00 0.00 64.86 63.58 1pzk h ILE 74 Cb 0.16 2.31 -0.03 0.00 -1.09 0.00 0.00 36.82 38.18 1pzk h ILE 74 CO -0.01 0.70 0.31 0.00 -1.08 0.00 0.00 178.15 178.07 1pzk h ALA 75 N 1.19 0.68 -0.13 0.18 0.00 -0.76 -0.73 119.26 119.69 1pzk h ALA 75 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1pzk h ALA 75 Cb 1.30 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1pzk h ALA 75 CO 0.10 0.18 0.08 -0.92 0.00 0.00 0.00 179.25 178.69 1pzk h TYR 76 N 0.71 0.16 0.00 0.00 3.20 -0.80 -1.10 116.97 119.14 1pzk h TYR 76 Ca 0.19 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.97 1pzk h TYR 76 Cb 0.01 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 1pzk h TYR 76 CO -0.02 0.11 -0.44 -0.07 -1.64 0.00 0.00 178.16 176.09 1pzk h LEU 77 N 0.17 0.00 -1.22 2.82 3.38 -0.95 -2.28 115.31 117.23 1pzk h LEU 77 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1pzk h LEU 77 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1pzk h LEU 77 CO -0.01 0.44 -0.01 0.35 0.09 0.00 0.00 178.44 179.31 1pzk n THR 78 N -3.81 0.00 -2.85 0.22 -2.24 -0.31 -4.95 114.28 100.34 1pzk n THR 78 Ca -0.01 -0.32 -0.22 0.00 -2.27 0.00 0.00 64.05 61.23 1pzk n THR 78 Cb 0.50 0.78 0.02 0.00 -2.10 0.00 0.00 70.33 69.53 1pzk n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pzk n GLU 79 N 0.49 -4.05 -2.16 -0.78 1.02 -0.52 -4.94 120.64 109.70 1pzk n GLU 79 Ca 0.17 0.92 -0.41 0.00 -0.02 0.00 0.00 57.16 57.82 1pzk n GLU 79 Cb 0.42 -5.70 -0.03 0.00 -0.02 0.00 0.00 31.44 26.11 1pzk n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pzk s ALA 80 N -3.14 3.56 0.08 0.62 0.00 -0.58 -4.73 121.76 117.57 1pzk s ALA 80 Ca 0.22 1.17 -0.31 0.00 0.00 0.00 0.00 51.96 53.05 1pzk s ALA 80 Cb -0.10 -3.50 -0.08 0.00 0.00 0.00 0.00 23.12 19.44 1pzk s ALA 80 CO 0.28 -0.60 1.49 0.21 0.00 0.00 0.00 175.76 177.14 1pzk s LYS 81 N -0.17 4.26 -0.21 0.00 2.20 -1.26 -4.26 119.74 120.30 1pzk s LYS 81 Ca 0.58 2.16 -0.20 0.00 -0.36 0.00 0.00 55.97 58.14 1pzk s LYS 81 Cb -0.38 -3.41 -0.02 0.00 -1.51 0.00 0.00 37.83 32.50 1pzk s LYS 81 CO 0.40 -0.58 0.62 0.08 -0.36 0.00 0.00 175.35 175.50 1pzk s VAL 82 N 1.86 5.02 -0.00 4.02 1.01 0.20 -3.36 120.40 129.15 1pzk s VAL 82 Ca 0.68 1.15 -0.00 0.00 0.00 0.00 0.00 61.98 63.81 1pzk s VAL 82 Cb -0.37 -3.93 -0.00 0.00 0.00 0.00 0.00 36.38 32.07 1pzk s VAL 82 CO 0.30 0.10 0.22 -0.08 0.00 0.00 0.00 175.10 175.64 1pzk h GLU 83 N 7.57 -0.00 -5.05 2.72 4.81 -0.91 0.14 114.58 123.86 1pzk h GLU 83 Ca -0.31 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.58 1pzk h GLU 83 Cb 1.14 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.33 1pzk h GLU 83 CO 0.77 -0.00 -0.74 0.15 -0.73 0.00 0.00 179.01 178.46 1pzk s LYS 84 N -1.44 0.85 -0.06 1.92 1.02 -1.14 -0.57 119.74 120.31 1pzk s LYS 84 Ca -0.00 -1.12 0.06 0.00 0.02 0.00 0.00 55.97 54.93 1pzk s LYS 84 Cb 0.00 -0.60 -0.01 0.00 -0.52 0.00 0.00 37.83 36.69 1pzk s LYS 84 CO 0.00 0.10 -0.24 -0.51 -0.92 0.00 0.00 175.35 173.78 1pzk s LEU 85 N -2.31 2.11 -0.20 3.17 1.43 -0.35 -1.05 118.68 121.49 1pzk s LEU 85 Ca 0.04 -0.49 -0.15 0.00 -1.03 0.00 0.00 54.13 52.50 1pzk s LEU 85 Cb -0.04 -1.39 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 1pzk s LEU 85 CO 0.01 0.25 0.36 0.00 0.23 0.00 0.00 176.35 177.19 1pzk s VAL 87 N 1.13 1.03 -0.10 0.00 -7.23 -0.37 -0.01 120.40 114.85 1pzk s VAL 87 Ca 0.18 -1.41 -0.28 0.00 -1.81 0.00 0.00 61.98 58.66 1pzk s VAL 87 Cb -0.14 -1.14 -0.02 0.00 0.56 0.00 0.00 36.38 35.63 1pzk s VAL 87 CO 0.07 -0.35 0.91 0.26 -0.31 0.00 0.00 175.10 175.68 1pzk s TRP 88 N -1.68 3.51 -2.08 2.82 0.51 0.37 -1.36 118.94 121.04 1pzk s TRP 88 Ca 0.00 1.46 0.22 0.00 -2.12 0.00 0.00 56.10 55.66 1pzk s TRP 88 Cb -0.08 -3.08 0.58 0.00 -0.81 0.00 0.00 33.47 30.09 1pzk s TRP 88 CO 0.02 -0.16 1.49 0.27 -0.51 0.00 0.00 176.95 178.06 1pzk n ASN 89 N 4.76 3.61 -1.71 2.95 0.23 -0.17 -1.89 115.26 123.05 1pzk n ASN 89 Ca 0.06 -1.99 0.06 0.00 -0.53 0.00 0.00 54.58 52.18 1pzk n ASN 89 Cb 0.49 -0.42 0.35 0.00 -2.08 0.00 0.00 39.78 38.13 1pzk n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1pzk n ASN 90 N 1.49 5.10 -4.13 0.53 6.94 -1.26 -4.89 115.26 119.04 1pzk n ASN 90 Ca 0.22 -2.78 -0.15 0.00 -0.02 0.00 0.00 54.58 51.85 1pzk n ASN 90 Cb 0.58 -0.66 -0.11 0.00 -2.36 0.00 0.00 39.78 37.23 1pzk n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1pzk s LYS 91 N -2.49 0.72 -0.07 -3.83 -0.14 -1.25 -5.10 119.74 107.58 1pzk s LYS 91 Ca 0.48 -0.93 0.02 0.00 -1.36 0.00 0.00 55.97 54.18 1pzk s LYS 91 Cb 0.36 -0.56 0.01 0.00 -1.68 0.00 0.00 37.83 35.96 1pzk s LYS 91 CO 0.15 0.11 -0.12 0.95 -0.76 0.00 0.00 175.35 175.68 1pzk s THR 92 N -1.57 1.14 0.92 2.17 -4.23 -1.26 -2.78 115.64 110.03 1pzk s THR 92 Ca -0.03 -0.46 -0.12 0.00 -1.18 0.00 0.00 61.69 59.89 1pzk s THR 92 Cb -0.08 -1.05 0.09 0.00 1.34 0.00 0.00 72.50 72.79 1pzk s THR 92 CO 0.01 0.36 0.80 -2.65 -0.54 0.00 0.00 174.62 172.60 1pzk n PRO 93 N 3.96 -0.30 -1.64 3.99 -0.02 -1.26 -5.05 135.00 134.68 1pzk n PRO 93 Ca -0.22 -0.03 -0.42 0.00 -2.02 0.00 0.00 63.50 60.81 1pzk n PRO 93 Cb 0.51 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1pzk n PRO 93 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1pzk n HIS 94 N -3.81 1.58 -3.88 6.00 8.25 -1.12 -4.50 115.22 117.75 1pzk n HIS 94 Ca 0.10 0.57 -0.35 0.00 -0.26 0.00 0.00 57.72 57.78 1pzk n HIS 94 Cb 0.52 -2.30 -0.09 0.00 1.12 0.00 0.00 29.99 29.25 1pzk n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pzk s ALA 95 N -1.19 3.55 0.03 -1.41 0.00 -0.79 -1.52 121.76 120.42 1pzk s ALA 95 Ca 0.60 -0.72 -0.30 0.00 0.00 0.00 0.00 51.96 51.54 1pzk s ALA 95 Cb -0.57 -2.03 -0.05 0.00 0.00 0.00 0.00 23.12 20.47 1pzk s ALA 95 CO 0.59 0.19 1.28 0.42 0.00 0.00 0.00 175.76 178.24 1pzk s ILE 96 N 0.31 3.88 -0.16 0.00 1.01 0.14 -0.48 121.20 125.90 1pzk s ILE 96 Ca 0.06 1.31 0.09 0.00 0.00 0.00 0.00 60.65 62.11 1pzk s ILE 96 Cb -0.12 -3.84 -0.16 0.00 0.01 0.00 0.00 42.46 38.35 1pzk s ILE 96 CO -0.01 0.05 -0.02 0.00 0.00 0.00 0.00 174.94 174.97 1pzk n ALA 97 N 4.57 1.63 -3.35 9.38 0.00 0.99 -4.83 120.51 128.89 1pzk n ALA 97 Ca 0.11 -0.92 -0.13 0.00 0.00 0.00 0.00 53.44 52.50 1pzk n ALA 97 Cb 0.45 -0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 1pzk n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pzk s ALA 98 N -2.36 -1.47 0.02 0.00 0.00 -0.88 -4.97 121.76 112.10 1pzk s ALA 98 Ca -0.13 0.53 0.02 0.00 0.00 0.00 0.00 51.96 52.38 1pzk s ALA 98 Cb 0.05 0.66 -0.01 0.00 0.00 0.00 0.00 23.12 23.82 1pzk s ALA 98 CO 0.55 -0.65 -0.06 -1.50 0.00 0.00 0.00 175.76 174.09 1pzk s ILE 99 N -3.21 0.46 0.00 0.00 2.07 -1.26 -1.22 121.20 118.04 1pzk s ILE 99 Ca -0.01 -0.59 0.07 0.00 -1.41 0.00 0.00 60.65 58.70 1pzk s ILE 99 Cb -0.00 -0.46 -0.02 0.00 0.13 0.00 0.00 42.46 42.11 1pzk s ILE 99 CO -0.08 -0.10 -0.22 -0.94 -1.91 0.00 0.00 174.94 171.69 1pzk s SER 100 N -0.76 2.58 -0.08 4.50 1.04 -0.21 -5.01 113.70 115.76 1pzk s SER 100 Ca -0.03 -0.43 0.04 0.00 0.48 0.00 0.00 55.95 56.00 1pzk s SER 100 Cb -0.05 -0.27 0.00 0.00 0.10 0.00 0.00 66.02 65.80 1pzk s SER 100 CO 0.00 0.25 -0.21 -0.04 0.98 0.00 0.00 173.24 174.21 1pzk s MET 101 N -0.70 2.59 0.05 4.02 -1.94 -1.26 -0.36 119.30 121.70 1pzk s MET 101 Ca 0.08 -0.77 -0.27 0.00 -1.71 0.00 0.00 55.69 53.02 1pzk s MET 101 Cb -0.09 -2.04 0.09 0.00 2.01 0.00 0.00 34.83 34.81 1pzk s MET 101 CO -0.00 0.19 0.84 0.00 -0.01 0.00 0.00 175.02 176.04 1pzk s ALA 102 N 0.29 -1.75 -2.42 3.03 0.00 -1.21 -4.86 121.76 114.83 1pzk s ALA 102 Ca -0.14 0.79 0.29 0.00 0.00 0.00 0.00 51.96 52.89 1pzk s ALA 102 Cb -0.16 0.53 1.18 0.00 0.00 0.00 0.00 23.12 24.67 1pzk s ALA 102 CO 0.07 -0.75 1.82 0.09 0.00 0.00 0.00 175.76 176.98