#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pzj n PRO 2 N 0.00 2.26 0.14 -2.82 -0.02 -1.26 -4.92 135.00 128.38 1pzj n PRO 2 Ca 0.00 0.80 0.12 0.00 -2.02 0.00 0.00 63.50 62.40 1pzj n PRO 2 Cb 0.00 -2.56 0.11 0.00 -0.02 0.00 0.00 33.50 31.03 1pzj n PRO 2 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1pzj h GLN 3 N 2.39 0.00 -2.73 -0.52 1.08 -2.02 -3.49 115.11 109.83 1pzj h GLN 3 Ca -0.50 0.00 0.10 0.00 -1.45 0.00 0.00 58.65 56.80 1pzj h GLN 3 Cb 1.27 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.65 1pzj h GLN 3 CO 0.61 0.00 0.36 0.54 -0.95 0.00 0.00 178.83 179.39 1pzj s ASN 4 N -5.50 -0.16 0.37 1.46 2.20 -1.26 -5.05 114.94 107.00 1pzj s ASN 4 Ca 0.04 -0.64 0.11 0.00 -0.94 0.00 0.00 52.86 51.43 1pzj s ASN 4 Cb 0.08 0.64 0.73 0.00 -2.00 0.00 0.00 41.25 40.71 1pzj s ASN 4 CO 0.72 -1.22 1.85 -0.29 -2.94 0.00 0.00 177.10 175.23 1pzj h ILE 5 N 2.00 1.23 -0.22 0.54 2.10 -1.96 -1.86 117.51 119.34 1pzj h ILE 5 Ca -0.24 -1.08 -0.06 0.00 1.08 0.00 0.00 64.86 64.56 1pzj h ILE 5 Cb 1.24 1.49 -0.01 0.00 -1.09 0.00 0.00 36.82 38.46 1pzj h ILE 5 CO 0.28 0.32 -0.10 0.74 -1.08 0.00 0.00 178.15 178.31 1pzj h THR 6 N 0.10 1.30 -0.32 2.19 2.02 -1.99 -0.08 112.91 116.14 1pzj h THR 6 Ca 0.02 -1.15 -0.09 0.00 0.77 0.00 0.00 66.41 65.96 1pzj h THR 6 Cb 0.55 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 1pzj h THR 6 CO 0.04 0.35 -0.17 0.44 0.37 0.00 0.00 175.52 176.55 1pzj h ASP 7 N 0.17 0.56 -0.16 4.18 3.32 -1.93 -1.96 116.42 120.59 1pzj h ASP 7 Ca 0.05 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 1pzj h ASP 7 Cb 0.58 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1pzj h ASP 7 CO 0.03 0.75 0.01 0.25 -1.72 0.00 0.00 179.24 178.56 1pzj h LEU 8 N 0.51 0.27 -1.35 1.55 6.46 -1.18 -2.97 115.31 118.61 1pzj h LEU 8 Ca 0.09 -0.29 0.04 0.00 -0.12 0.00 0.00 57.88 57.59 1pzj h LEU 8 Cb 0.59 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.40 1pzj h LEU 8 CO 0.04 0.50 0.47 0.00 -0.62 0.00 0.00 178.44 178.83 1pzj n ALA 10 N -2.44 1.48 1.00 0.00 0.00 -0.76 -2.52 120.51 117.27 1pzj n ALA 10 Ca 0.09 0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.76 1pzj n ALA 10 Cb 0.15 -1.34 0.59 0.00 0.00 0.00 0.00 19.45 18.84 1pzj n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1pzj n GLU 11 N -2.16 0.11 -4.77 0.00 1.02 -0.56 -4.84 120.64 109.44 1pzj n GLU 11 Ca 0.01 0.05 -0.30 0.00 -0.02 0.00 0.00 57.16 56.90 1pzj n GLU 11 Cb 0.17 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.94 1pzj n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1pzj s TYR 12 N -2.88 2.32 0.62 -0.32 1.51 -1.05 -5.14 117.35 112.41 1pzj s TYR 12 Ca 0.16 -0.40 -0.12 0.00 -1.01 0.00 0.00 57.07 55.70 1pzj s TYR 12 Cb 0.17 -1.35 -0.04 0.00 -0.11 0.00 0.00 41.96 40.63 1pzj s TYR 12 CO 0.46 0.18 1.03 -1.01 -1.11 0.00 0.00 175.55 175.10 1pzj s HIS 13 N -0.88 3.50 -1.38 2.71 3.76 -1.26 -4.19 115.29 117.55 1pzj s HIS 13 Ca 0.12 1.34 0.00 0.00 -0.15 0.00 0.00 55.06 56.38 1pzj s HIS 13 Cb -0.10 -2.76 0.00 0.00 1.11 0.00 0.00 32.58 30.83 1pzj s HIS 13 CO 0.03 -0.75 0.00 0.09 -0.85 0.00 0.00 174.74 173.26 1pzj n ASN 14 N -2.64 -4.74 -4.51 1.40 5.03 -1.26 -4.97 115.26 103.56 1pzj n ASN 14 Ca 0.06 0.02 -0.24 0.00 0.87 0.00 0.00 54.58 55.30 1pzj n ASN 14 Cb 0.54 -3.85 -0.09 0.00 -1.02 0.00 0.00 39.78 35.36 1pzj n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1pzj s THR 15 N -2.77 2.71 0.07 3.41 -4.23 -1.26 -0.99 115.64 112.58 1pzj s THR 15 Ca 0.00 -2.27 -0.14 0.00 -1.18 0.00 0.00 61.69 58.10 1pzj s THR 15 Cb 0.00 -2.43 0.02 0.00 1.34 0.00 0.00 72.50 71.44 1pzj s THR 15 CO 0.00 -0.38 0.33 0.00 -0.54 0.00 0.00 174.62 174.02 1pzj s GLN 16 N -3.52 0.90 -0.09 3.99 -2.07 -0.37 -4.89 119.66 113.61 1pzj s GLN 16 Ca 0.30 -0.61 -0.17 0.00 -1.82 0.00 0.00 55.36 53.06 1pzj s GLN 16 Cb -0.05 0.39 -0.05 0.00 -1.09 0.00 0.00 33.01 32.21 1pzj s GLN 16 CO 0.16 -0.31 0.45 0.42 -1.32 0.00 0.00 175.29 174.69 1pzj s ILE 17 N -3.07 5.15 -0.18 3.63 -1.09 -1.26 -1.14 121.20 123.24 1pzj s ILE 17 Ca -0.01 0.90 -0.04 0.00 -2.23 0.00 0.00 60.65 59.26 1pzj s ILE 17 Cb 0.01 -3.78 -0.02 0.00 -1.58 0.00 0.00 42.46 37.08 1pzj s ILE 17 CO -0.07 0.39 -0.02 -1.00 -1.23 0.00 0.00 174.94 173.02 1pzj s HIS 18 N 0.23 3.03 -0.30 3.97 3.76 -0.14 -4.99 115.29 120.86 1pzj s HIS 18 Ca 0.25 -0.41 -0.10 0.00 -0.15 0.00 0.00 55.06 54.65 1pzj s HIS 18 Cb -0.15 -2.03 -0.02 0.00 1.11 0.00 0.00 32.58 31.48 1pzj s HIS 18 CO 0.10 -0.17 0.16 0.99 -0.85 0.00 0.00 174.74 174.98 1pzj s THR 19 N 0.75 4.79 -0.18 1.30 2.01 -1.26 -0.94 115.64 122.12 1pzj s THR 19 Ca -0.01 -0.22 -0.03 0.00 0.31 0.00 0.00 61.69 61.74 1pzj s THR 19 Cb -0.14 -3.37 -0.10 0.00 0.01 0.00 0.00 72.50 68.89 1pzj s THR 19 CO 0.02 0.15 -0.19 0.18 -0.69 0.00 0.00 174.62 174.09 1pzj n LEU 20 N 5.01 2.25 -4.21 4.42 4.77 -0.12 -5.01 117.00 124.10 1pzj n LEU 20 Ca -0.14 0.05 -0.31 0.00 -0.03 0.00 0.00 56.01 55.58 1pzj n LEU 20 Cb 0.50 -0.58 -0.07 0.00 -2.33 0.00 0.00 43.42 40.94 1pzj n LEU 20 CO 0.33 0.62 -0.40 0.59 -1.33 0.00 0.00 177.39 177.20 1pzj n ASN 21 N -3.37 0.22 -3.55 -1.43 3.02 -0.08 -4.95 115.26 105.12 1pzj n ASN 21 Ca -0.33 -1.22 -0.13 0.00 -0.03 0.00 0.00 54.58 52.87 1pzj n ASN 21 Cb 0.80 -1.95 -0.04 0.00 -0.61 0.00 0.00 39.78 37.97 1pzj n ASN 21 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1pzj s ASP 22 N -4.31 -0.42 0.74 6.41 2.15 -0.75 -4.90 116.67 115.57 1pzj s ASP 22 Ca 0.04 0.03 -0.11 0.00 0.43 0.00 0.00 52.55 52.94 1pzj s ASP 22 Cb -0.02 0.51 0.03 0.00 -0.30 0.00 0.00 42.92 43.15 1pzj s ASP 22 CO 0.97 -0.81 1.08 -1.59 -0.17 0.00 0.00 175.17 174.65 1pzj s LYS 23 N -3.05 2.56 0.14 4.34 -2.85 -1.26 -0.99 119.74 118.63 1pzj s LYS 23 Ca -0.02 1.08 -0.30 0.00 -1.00 0.00 0.00 55.97 55.73 1pzj s LYS 23 Cb -0.00 -1.94 -0.07 0.00 -2.06 0.00 0.00 37.83 33.76 1pzj s LYS 23 CO -0.07 -1.40 1.26 0.42 0.10 0.00 0.00 175.35 175.67 1pzj s ILE 24 N -2.95 3.56 -0.02 3.79 1.01 -1.26 -4.67 121.20 120.66 1pzj s ILE 24 Ca 0.60 1.21 -0.13 0.00 0.00 0.00 0.00 60.65 62.33 1pzj s ILE 24 Cb -0.16 -3.77 -0.33 0.00 0.01 0.00 0.00 42.46 38.22 1pzj s ILE 24 CO 0.55 0.14 0.77 0.15 0.00 0.00 0.00 174.94 176.56 1pzj h PHE 25 N 6.06 0.82 -3.69 3.97 3.57 -1.08 -3.47 116.94 123.11 1pzj h PHE 25 Ca -0.43 -0.60 -0.15 0.00 3.53 0.00 0.00 57.97 60.32 1pzj h PHE 25 Cb 1.21 -0.03 -0.20 0.00 2.79 0.00 0.00 35.95 39.72 1pzj h PHE 25 CO 0.64 1.65 -0.56 -1.54 -2.23 0.00 0.00 178.31 176.27 1pzj s SER 26 N -7.40 0.11 -0.08 0.41 1.04 -0.95 -4.98 113.70 101.85 1pzj s SER 26 Ca -0.14 -0.34 0.01 0.00 0.48 0.00 0.00 55.95 55.96 1pzj s SER 26 Cb 0.05 0.17 0.02 0.00 0.10 0.00 0.00 66.02 66.36 1pzj s SER 26 CO 0.89 -0.36 -0.10 -0.47 0.98 0.00 0.00 173.24 174.18 1pzj s TYR 27 N -1.55 1.40 -0.01 5.02 5.04 -1.26 -1.77 117.35 124.22 1pzj s TYR 27 Ca -0.14 -0.59 0.05 0.00 -2.44 0.00 0.00 57.07 53.96 1pzj s TYR 27 Cb -0.08 -1.10 -0.01 0.00 0.35 0.00 0.00 41.96 41.12 1pzj s TYR 27 CO 0.00 -0.36 -0.17 0.99 -1.34 0.00 0.00 175.55 174.67 1pzj s THR 28 N 1.11 1.34 -0.00 4.34 2.01 0.49 -5.00 115.64 119.93 1pzj s THR 28 Ca -0.06 -0.76 -0.03 0.00 0.31 0.00 0.00 61.69 61.15 1pzj s THR 28 Cb -0.14 -1.12 -0.00 0.00 0.01 0.00 0.00 72.50 71.24 1pzj s THR 28 CO -0.01 0.36 0.05 -1.83 -0.69 0.00 0.00 174.62 172.49 1pzj s GLU 29 N -0.46 0.25 0.00 4.92 -1.05 -1.26 -0.70 118.70 120.41 1pzj s GLU 29 Ca 0.06 -0.25 0.04 0.00 -0.15 0.00 0.00 54.97 54.67 1pzj s GLU 29 Cb -0.07 0.10 -0.01 0.00 -0.44 0.00 0.00 34.13 33.71 1pzj s GLU 29 CO -0.00 -0.05 -0.13 0.45 0.95 0.00 0.00 175.26 176.48 1pzj s SER 30 N -0.79 1.48 0.00 0.83 0.15 -0.58 -5.01 113.70 109.79 1pzj s SER 30 Ca -0.09 -0.29 0.11 0.00 0.70 0.00 0.00 55.95 56.38 1pzj s SER 30 Cb -0.05 -0.14 0.20 0.00 -1.71 0.00 0.00 66.02 64.32 1pzj s SER 30 CO 0.00 0.11 1.06 0.00 1.20 0.00 0.00 173.24 175.61 1pzj n LEU 31 N 2.51 2.45 -4.77 3.45 -0.00 -1.26 -2.75 117.00 116.64 1pzj n LEU 31 Ca -0.15 -1.50 -0.39 0.00 -0.00 0.00 0.00 56.01 53.96 1pzj n LEU 31 Cb 0.55 -0.12 0.00 0.00 -0.00 0.00 0.00 43.42 43.86 1pzj n LEU 31 CO 0.24 0.55 0.98 0.00 -0.00 0.00 0.00 177.39 179.17 1pzj s ALA 32 N -0.97 3.22 0.19 1.47 0.00 -1.26 -4.79 121.76 119.61 1pzj s ALA 32 Ca 0.18 1.28 -0.32 0.00 0.00 0.00 0.00 51.96 53.11 1pzj s ALA 32 Cb 0.11 -3.51 -0.11 0.00 0.00 0.00 0.00 23.12 19.61 1pzj s ALA 32 CO 0.15 -0.94 1.61 0.20 0.00 0.00 0.00 175.76 176.79 1pzj s GLY 33 N -0.72 1.51 0.00 0.00 0.00 -1.26 -0.86 107.32 105.99 1pzj s GLY 33 Ca 0.59 1.45 0.00 0.00 0.00 0.00 0.00 44.72 46.76 1pzj s GLY 33 CO 0.50 2.69 0.00 0.28 0.00 0.00 0.00 173.10 176.57 1pzj n LYS 34 N 3.80 -0.21 -2.60 2.90 4.76 -1.26 -4.83 118.16 120.71 1pzj n LYS 34 Ca 0.14 0.05 -0.10 0.00 -2.87 0.00 0.00 58.31 55.54 1pzj n LYS 34 Cb 0.37 -3.30 0.03 0.00 -1.84 0.00 0.00 35.03 30.30 1pzj n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1pzj n ARG 35 N -1.91 2.11 -2.69 1.97 5.12 -0.04 -4.97 116.66 116.26 1pzj n ARG 35 Ca 0.00 -3.67 -0.42 0.00 -1.93 0.00 0.00 57.85 51.83 1pzj n ARG 35 Cb 0.05 -1.71 -0.02 0.00 -1.16 0.00 0.00 32.46 29.62 1pzj n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1pzj s GLU 36 N -3.57 3.66 0.25 5.56 8.01 -1.14 -4.26 118.70 127.21 1pzj s GLU 36 Ca 0.34 -1.47 -0.10 0.00 0.01 0.00 0.00 54.97 53.75 1pzj s GLU 36 Cb 0.38 -5.24 -0.01 0.00 -4.31 0.00 0.00 34.13 24.96 1pzj s GLU 36 CO -0.02 -2.07 0.44 0.00 0.01 0.00 0.00 175.26 173.62 1pzj s MET 37 N 4.07 1.56 0.10 1.61 0.23 -1.11 -4.12 119.30 121.64 1pzj s MET 37 Ca 0.43 -1.36 0.07 0.00 -1.03 0.00 0.00 55.69 53.80 1pzj s MET 37 Cb -0.01 0.44 -0.03 0.00 -1.53 0.00 0.00 34.83 33.70 1pzj s MET 37 CO -0.08 -0.64 -0.19 0.00 -2.03 0.00 0.00 175.02 172.09 1pzj s ALA 38 N -3.89 1.65 -0.05 3.16 0.00 -1.18 -1.53 121.76 119.92 1pzj s ALA 38 Ca 0.25 -1.20 0.02 0.00 0.00 0.00 0.00 51.96 51.03 1pzj s ALA 38 Cb 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.94 1pzj s ALA 38 CO 0.11 0.30 -0.09 0.42 0.00 0.00 0.00 175.76 176.49 1pzj s ILE 39 N -1.28 0.86 0.14 0.00 1.01 0.13 -0.91 121.20 121.14 1pzj s ILE 39 Ca 0.05 -0.33 0.11 0.00 0.00 0.00 0.00 60.65 60.47 1pzj s ILE 39 Cb -0.10 -0.81 -0.04 0.00 0.01 0.00 0.00 42.46 41.53 1pzj s ILE 39 CO 0.04 0.29 -0.26 0.27 0.00 0.00 0.00 174.94 175.28 1pzj s ILE 40 N 0.65 2.19 0.17 2.92 -4.36 -0.04 -0.38 121.20 122.35 1pzj s ILE 40 Ca -0.11 -1.77 0.06 0.00 -0.26 0.00 0.00 60.65 58.57 1pzj s ILE 40 Cb -0.14 -1.96 -0.04 0.00 1.25 0.00 0.00 42.46 41.57 1pzj s ILE 40 CO 0.02 0.03 -0.13 0.42 0.24 0.00 0.00 174.94 175.52 1pzj s THR 41 N -1.18 1.46 0.37 8.37 -4.23 -0.73 -1.11 115.64 118.60 1pzj s THR 41 Ca 0.14 -2.05 0.08 0.00 -1.18 0.00 0.00 61.69 58.67 1pzj s THR 41 Cb -0.10 -1.87 -0.03 0.00 1.34 0.00 0.00 72.50 71.84 1pzj s THR 41 CO 0.06 -0.60 0.26 -0.36 -0.54 0.00 0.00 174.62 173.44 1pzj s PHE 42 N -2.90 2.76 0.29 3.99 0.08 -0.56 -0.48 117.98 121.15 1pzj s PHE 42 Ca 0.18 -0.41 0.02 0.00 0.12 0.00 0.00 56.93 56.83 1pzj s PHE 42 Cb -0.01 -1.87 0.56 0.00 -0.57 0.00 0.00 43.02 41.13 1pzj s PHE 42 CO 0.04 0.15 1.84 -0.22 -0.10 0.00 0.00 175.22 176.92 1pzj h LYS 43 N 1.30 0.96 0.00 0.44 1.63 -1.90 0.14 116.57 119.14 1pzj h LYS 43 Ca -0.43 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 1pzj h LYS 43 Cb 1.26 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 32.67 1pzj h LYS 43 CO 0.61 0.64 0.00 0.27 -3.45 0.00 0.00 179.45 177.52 1pzj n ASN 44 N -4.61 0.50 0.00 4.20 0.23 -1.26 -4.89 115.26 109.43 1pzj n ASN 44 Ca 0.19 0.63 0.00 0.00 -0.53 0.00 0.00 54.58 54.87 1pzj n ASN 44 Cb 0.36 -0.74 0.00 0.00 -2.08 0.00 0.00 39.78 37.32 1pzj n ASN 44 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pzj n GLY 45 N -0.09 2.46 3.66 4.83 0.00 0.04 -5.07 105.19 111.01 1pzj n GLY 45 Ca 0.02 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.58 1pzj n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pzj n ALA 46 N -0.50 1.10 -2.49 4.61 0.00 -1.26 -4.69 120.51 117.29 1pzj n ALA 46 Ca 0.00 0.44 -0.27 0.00 0.00 0.00 0.00 53.44 53.61 1pzj n ALA 46 Cb 0.00 -2.30 -0.16 0.00 0.00 0.00 0.00 19.45 16.99 1pzj n ALA 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1pzj s THR 47 N 0.47 1.62 0.03 0.00 2.01 -1.26 -1.50 115.64 117.00 1pzj s THR 47 Ca 0.75 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.88 1pzj s THR 47 Cb -0.68 -1.35 -0.02 0.00 0.01 0.00 0.00 72.50 70.45 1pzj s THR 47 CO 0.43 0.46 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.42 1pzj s PHE 48 N -0.42 0.40 0.18 4.92 0.08 -0.26 -3.97 117.98 118.91 1pzj s PHE 48 Ca 0.06 -0.56 0.11 0.00 0.12 0.00 0.00 56.93 56.67 1pzj s PHE 48 Cb -0.08 -0.27 -0.04 0.00 -0.57 0.00 0.00 43.02 42.06 1pzj s PHE 48 CO -0.00 -0.17 -0.24 1.14 -0.10 0.00 0.00 175.22 175.84 1pzj s GLN 49 N -1.67 1.49 -0.34 0.44 -2.07 -0.34 -0.86 119.66 116.30 1pzj s GLN 49 Ca -0.13 -1.49 -0.14 0.00 -1.82 0.00 0.00 55.36 51.78 1pzj s GLN 49 Cb -0.09 -1.83 -0.01 0.00 -1.09 0.00 0.00 33.01 29.99 1pzj s GLN 49 CO -0.01 0.40 0.33 0.08 -1.32 0.00 0.00 175.29 174.77 1pzj s VAL 50 N -1.58 5.20 0.64 3.63 1.01 -0.09 -0.66 120.40 128.56 1pzj s VAL 50 Ca 0.19 -0.01 -0.17 0.00 0.00 0.00 0.00 61.98 61.99 1pzj s VAL 50 Cb -0.08 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 1pzj s VAL 50 CO 0.09 -0.06 1.22 -1.61 0.00 0.00 0.00 175.10 174.74 1pzj s GLU 51 N 1.93 2.66 0.30 2.72 2.02 -1.26 -3.10 118.70 123.97 1pzj s GLU 51 Ca 0.10 1.83 -0.30 0.00 0.02 0.00 0.00 54.97 56.63 1pzj s GLU 51 Cb -0.17 -1.89 -0.13 0.00 0.10 0.00 0.00 34.13 32.05 1pzj s GLU 51 CO 0.11 -1.45 1.39 0.28 0.02 0.00 0.00 175.26 175.61 1pzj n VAL 52 N -2.00 1.45 -1.73 2.63 0.31 -1.26 -4.88 118.33 112.85 1pzj n VAL 52 Ca 0.14 -0.36 -0.42 0.00 -0.01 0.00 0.00 64.34 63.68 1pzj n VAL 52 Cb 0.50 -1.61 -0.02 0.00 -0.91 0.00 0.00 33.84 31.80 1pzj n VAL 52 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1pzj n PRO 53 N 1.35 2.67 -2.50 5.55 -0.02 -1.26 -4.95 135.00 135.83 1pzj n PRO 53 Ca 0.08 0.95 -0.06 0.00 -2.02 0.00 0.00 63.50 62.45 1pzj n PRO 53 Cb 0.34 -2.74 -0.01 0.00 -0.02 0.00 0.00 33.50 31.07 1pzj n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pzj n GLY 54 N 2.64 2.95 0.25 -1.23 0.00 -1.26 -5.04 105.19 103.50 1pzj n GLY 54 Ca 0.11 -1.52 0.17 0.00 0.00 0.00 0.00 46.02 44.77 1pzj n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1pzj h SER 55 N 0.71 0.00 1.82 1.61 4.64 -2.03 -1.68 113.55 118.62 1pzj h SER 55 Ca -0.09 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1pzj h SER 55 Cb 0.42 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1pzj h SER 55 CO 0.13 0.00 -0.01 0.06 -0.87 0.00 0.00 176.83 176.14 1pzj h GLN 56 N 0.00 0.00 -6.59 4.77 -0.00 -1.97 -3.45 115.11 107.87 1pzj h GLN 56 Ca 0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 58.65 58.14 1pzj h GLN 56 Cb 0.36 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.81 1pzj h GLN 56 CO 0.00 0.01 0.25 -1.01 -0.00 0.00 0.00 178.83 178.07 1pzj s HIS 57 N -3.29 3.92 0.48 0.06 3.76 -0.63 -5.07 115.29 114.52 1pzj s HIS 57 Ca 0.06 1.73 -0.04 0.00 -0.15 0.00 0.00 55.06 56.66 1pzj s HIS 57 Cb 0.06 -2.86 -0.03 0.00 1.11 0.00 0.00 32.58 30.87 1pzj s HIS 57 CO 0.65 0.47 0.77 0.96 -0.85 0.00 0.00 174.74 176.74 1pzj s ILE 58 N -1.04 4.63 0.34 0.60 -4.36 -1.26 -4.91 121.20 115.20 1pzj s ILE 58 Ca 0.38 0.03 0.02 0.00 -0.26 0.00 0.00 60.65 60.83 1pzj s ILE 58 Cb -0.24 -3.76 0.28 0.00 1.25 0.00 0.00 42.46 39.99 1pzj s ILE 58 CO 0.28 -0.71 1.97 -0.78 0.24 0.00 0.00 174.94 175.94 1pzj h ASP 59 N 0.23 0.78 0.28 4.36 3.58 -1.98 -0.36 116.42 123.31 1pzj h ASP 59 Ca -0.47 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 56.97 1pzj h ASP 59 Cb 1.22 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 42.09 1pzj h ASP 59 CO 0.61 0.53 -0.01 0.77 -2.88 0.00 0.00 179.24 178.27 1pzj h SER 60 N 0.90 0.00 1.58 2.28 4.64 -2.05 -1.57 113.55 119.34 1pzj h SER 60 Ca 0.30 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.61 1pzj h SER 60 Cb 0.08 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1pzj h SER 60 CO -0.09 0.01 -0.08 1.56 -0.87 0.00 0.00 176.83 177.36 1pzj h GLN 61 N 0.00 0.00 -0.37 4.77 4.20 -1.44 -3.35 115.11 118.93 1pzj h GLN 61 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1pzj h GLN 61 Cb 0.15 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 1pzj h GLN 61 CO 0.00 0.08 0.23 0.87 -0.67 0.00 0.00 178.83 179.34 1pzj h LYS 62 N 0.00 0.49 -0.19 1.46 1.79 -1.37 0.12 116.57 118.87 1pzj h LYS 62 Ca -0.00 -0.04 -0.11 0.00 -2.18 0.00 0.00 60.65 58.33 1pzj h LYS 62 Cb 0.89 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.42 1pzj h LYS 62 CO 0.01 0.34 -0.34 0.87 -1.08 0.00 0.00 179.45 179.25 1pzj h LYS 63 N 0.49 0.39 -0.07 3.15 1.57 -1.76 -2.56 116.57 117.77 1pzj h LYS 63 Ca 0.13 -0.17 -0.13 0.00 -1.87 0.00 0.00 60.65 58.61 1pzj h LYS 63 Cb -0.03 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1pzj h LYS 63 CO -0.03 0.69 -0.54 0.00 -0.57 0.00 0.00 179.45 179.00 1pzj h ALA 64 N 1.30 0.96 -0.40 3.86 0.00 -1.49 -1.01 119.26 122.48 1pzj h ALA 64 Ca 0.04 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 1pzj h ALA 64 Cb 0.77 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1pzj h ALA 64 CO 0.06 0.68 0.09 0.82 0.00 0.00 0.00 179.25 180.91 1pzj h ILE 65 N 0.16 1.23 -0.69 0.00 2.04 -0.51 -0.30 117.51 119.44 1pzj h ILE 65 Ca 0.00 -0.80 -0.02 0.00 1.00 0.00 0.00 64.86 65.05 1pzj h ILE 65 Cb 1.00 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 1pzj h ILE 65 CO 0.08 0.28 0.35 -0.33 0.00 0.00 0.00 178.15 178.53 1pzj h GLU 66 N 0.51 0.97 -0.66 2.37 4.39 -1.19 -2.40 114.58 118.57 1pzj h GLU 66 Ca 0.13 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1pzj h GLU 66 Cb 0.32 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 1pzj h GLU 66 CO 0.00 0.75 0.37 -0.09 -1.16 0.00 0.00 179.01 178.88 1pzj h ARG 67 N 0.95 0.91 -0.63 2.33 2.43 -0.95 -2.08 114.38 117.34 1pzj h ARG 67 Ca 0.24 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1pzj h ARG 67 Cb 0.08 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 1pzj h ARG 67 CO -0.03 0.68 0.39 1.98 -1.51 0.00 0.00 179.97 181.48 1pzj h MET 68 N 0.90 0.86 -0.47 0.20 4.05 -0.77 0.80 114.93 120.50 1pzj h MET 68 Ca 0.23 -0.07 -0.05 0.00 -0.28 0.00 0.00 59.70 59.53 1pzj h MET 68 Cb 0.03 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 30.63 1pzj h MET 68 CO -0.04 0.60 0.08 0.87 0.23 0.00 0.00 176.91 178.66 1pzj h LYS 69 N 0.86 0.72 -0.52 0.39 1.57 -1.18 0.12 116.57 118.53 1pzj h LYS 69 Ca 0.23 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1pzj h LYS 69 Cb -0.04 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 1pzj h LYS 69 CO -0.04 0.68 0.32 -0.44 -0.57 0.00 0.00 179.45 179.39 1pzj h ASP 70 N 0.69 0.61 -0.49 0.86 3.32 -0.61 -2.03 116.42 118.76 1pzj h ASP 70 Ca 0.15 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 1pzj h ASP 70 Cb 0.30 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1pzj h ASP 70 CO 0.00 0.47 0.16 0.74 -1.72 0.00 0.00 179.24 178.90 1pzj h THR 71 N 0.69 1.23 -0.55 0.35 2.02 -0.28 -2.20 112.91 114.17 1pzj h THR 71 Ca 0.19 -0.75 -0.05 0.00 0.77 0.00 0.00 66.41 66.57 1pzj h THR 71 Cb -0.03 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1pzj h THR 71 CO -0.04 0.27 0.16 -0.07 0.37 0.00 0.00 175.52 176.22 1pzj h LEU 72 N 0.67 0.82 0.03 2.58 3.38 -0.86 0.13 115.31 122.05 1pzj h LEU 72 Ca 0.16 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1pzj h LEU 72 Cb 0.26 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1pzj h LEU 72 CO -0.01 0.82 -0.02 -0.09 0.09 0.00 0.00 178.44 179.24 1pzj h ARG 73 N 0.78 -0.04 -0.12 1.13 2.43 -1.20 -0.35 114.38 117.01 1pzj h ARG 73 Ca 0.18 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.21 1pzj h ARG 73 Cb 0.30 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1pzj h ARG 73 CO -0.00 -0.03 -0.53 0.97 -1.51 0.00 0.00 179.97 178.87 1pzj h ILE 74 N -0.04 1.35 -0.18 1.20 6.09 -1.29 -1.02 117.51 123.62 1pzj h ILE 74 Ca -0.00 -1.80 0.00 0.00 -1.37 0.00 0.00 64.86 61.69 1pzj h ILE 74 Cb 0.03 1.83 -0.01 0.00 0.47 0.00 0.00 36.82 39.15 1pzj h ILE 74 CO 0.01 0.54 0.12 0.00 -3.07 0.00 0.00 178.15 175.75 1pzj h ALA 75 N 1.17 0.23 -0.12 0.18 0.00 -0.89 -1.36 119.26 118.47 1pzj h ALA 75 Ca 0.01 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1pzj h ALA 75 Cb 1.02 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1pzj h ALA 75 CO 0.09 -0.28 -0.14 -0.92 0.00 0.00 0.00 179.25 178.00 1pzj h TYR 76 N 0.24 -0.35 0.00 0.00 3.20 -0.77 -1.38 116.97 117.92 1pzj h TYR 76 Ca 0.07 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.90 1pzj h TYR 76 Cb -0.02 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 1pzj h TYR 76 CO -0.06 -0.20 -0.28 -0.07 -1.64 0.00 0.00 178.16 175.91 1pzj h LEU 77 N -0.17 0.00 -1.36 2.82 3.38 -0.97 -2.43 115.31 116.58 1pzj h LEU 77 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1pzj h LEU 77 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1pzj h LEU 77 CO -0.22 0.28 -0.09 0.35 0.09 0.00 0.00 178.44 178.84 1pzj n THR 78 N -3.66 0.00 -3.00 0.22 -2.24 -0.53 -4.95 114.28 100.12 1pzj n THR 78 Ca -0.01 -0.35 -0.22 0.00 -2.27 0.00 0.00 64.05 61.19 1pzj n THR 78 Cb 0.39 1.05 0.03 0.00 -2.10 0.00 0.00 70.33 69.70 1pzj n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pzj n GLU 79 N 0.59 -4.66 -2.05 -0.78 1.02 -0.63 -4.94 120.64 109.21 1pzj n GLU 79 Ca 0.15 0.90 -0.41 0.00 -0.02 0.00 0.00 57.16 57.77 1pzj n GLU 79 Cb 0.48 -5.75 -0.03 0.00 -0.02 0.00 0.00 31.44 26.12 1pzj n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pzj s ALA 80 N -3.16 3.62 -0.04 0.62 0.00 -0.62 -4.75 121.76 117.43 1pzj s ALA 80 Ca 0.29 1.28 -0.30 0.00 0.00 0.00 0.00 51.96 53.23 1pzj s ALA 80 Cb -0.13 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.39 1pzj s ALA 80 CO 0.36 -0.70 1.44 0.21 0.00 0.00 0.00 175.76 177.06 1pzj s LYS 81 N -0.06 4.25 -0.19 0.00 2.20 -1.26 -4.23 119.74 120.45 1pzj s LYS 81 Ca 0.60 1.97 -0.24 0.00 -0.36 0.00 0.00 55.97 57.94 1pzj s LYS 81 Cb -0.41 -3.70 -0.02 0.00 -1.51 0.00 0.00 37.83 32.19 1pzj s LYS 81 CO 0.40 -0.66 0.77 0.08 -0.36 0.00 0.00 175.35 175.58 1pzj s VAL 82 N 2.98 4.91 -0.02 4.02 1.01 -0.16 -3.22 120.40 129.92 1pzj s VAL 82 Ca 0.65 1.48 -0.01 0.00 0.00 0.00 0.00 61.98 64.10 1pzj s VAL 82 Cb -0.30 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 1pzj s VAL 82 CO 0.25 0.03 0.10 -0.08 0.00 0.00 0.00 175.10 175.40 1pzj h GLU 83 N 7.45 -0.03 -4.93 2.72 4.81 -0.93 0.03 114.58 123.70 1pzj h GLU 83 Ca -0.29 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.62 1pzj h GLU 83 Cb 1.13 0.01 -0.19 0.00 0.63 0.00 0.00 28.75 30.32 1pzj h GLU 83 CO 0.82 -0.02 -0.74 0.15 -0.73 0.00 0.00 179.01 178.49 1pzj s LYS 84 N -1.38 0.77 -0.06 1.92 1.02 -1.13 -0.95 119.74 119.92 1pzj s LYS 84 Ca -0.00 -1.04 0.05 0.00 0.02 0.00 0.00 55.97 54.99 1pzj s LYS 84 Cb 0.00 -0.52 -0.02 0.00 -0.52 0.00 0.00 37.83 36.78 1pzj s LYS 84 CO 0.01 0.09 -0.21 -0.51 -0.92 0.00 0.00 175.35 173.81 1pzj s LEU 85 N -2.15 2.31 -0.19 3.17 1.43 -0.11 -1.02 118.68 122.13 1pzj s LEU 85 Ca 0.01 -0.41 -0.15 0.00 -1.03 0.00 0.00 54.13 52.55 1pzj s LEU 85 Cb -0.05 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 1pzj s LEU 85 CO 0.00 0.26 0.36 0.00 0.23 0.00 0.00 176.35 177.20 1pzj s VAL 87 N 1.00 0.76 -0.12 0.00 -7.23 -0.29 -0.32 120.40 114.21 1pzj s VAL 87 Ca 0.18 -1.32 -0.25 0.00 -1.81 0.00 0.00 61.98 58.78 1pzj s VAL 87 Cb -0.14 -0.96 -0.02 0.00 0.56 0.00 0.00 36.38 35.81 1pzj s VAL 87 CO 0.07 -0.43 0.79 0.26 -0.31 0.00 0.00 175.10 175.48 1pzj s TRP 88 N -1.77 3.49 -1.71 2.82 0.51 0.83 -1.23 118.94 121.87 1pzj s TRP 88 Ca -0.03 1.27 0.21 0.00 -2.12 0.00 0.00 56.10 55.43 1pzj s TRP 88 Cb -0.07 -2.94 0.66 0.00 -0.81 0.00 0.00 33.47 30.31 1pzj s TRP 88 CO 0.00 -0.10 1.56 0.27 -0.51 0.00 0.00 176.95 178.17 1pzj n ASN 89 N 4.60 4.16 -1.22 2.95 0.23 -0.16 -1.55 115.26 124.28 1pzj n ASN 89 Ca 0.02 -2.12 0.07 0.00 -0.53 0.00 0.00 54.58 52.02 1pzj n ASN 89 Cb 0.50 -0.51 0.26 0.00 -2.08 0.00 0.00 39.78 37.95 1pzj n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1pzj n ASN 90 N 1.48 3.55 -4.17 0.53 6.94 -1.26 -4.88 115.26 117.46 1pzj n ASN 90 Ca 0.25 -2.29 -0.16 0.00 -0.02 0.00 0.00 54.58 52.36 1pzj n ASN 90 Cb 0.69 -0.48 -0.11 0.00 -2.36 0.00 0.00 39.78 37.52 1pzj n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1pzj s LYS 91 N -1.71 0.82 -0.08 -3.83 -0.14 -1.26 -5.10 119.74 108.45 1pzj s LYS 91 Ca 0.38 -1.05 0.02 0.00 -1.36 0.00 0.00 55.97 53.95 1pzj s LYS 91 Cb 0.24 -0.67 0.02 0.00 -1.68 0.00 0.00 37.83 35.74 1pzj s LYS 91 CO 0.19 0.13 -0.11 0.99 -0.76 0.00 0.00 175.35 175.78 1pzj s THR 92 N -1.85 1.14 0.92 2.17 2.01 -1.26 -2.86 115.64 115.91 1pzj s THR 92 Ca 0.01 -0.45 -0.12 0.00 0.31 0.00 0.00 61.69 61.44 1pzj s THR 92 Cb -0.07 -1.06 0.07 0.00 0.01 0.00 0.00 72.50 71.45 1pzj s THR 92 CO 0.01 0.36 0.67 -2.65 -0.69 0.00 0.00 174.62 172.33 1pzj n PRO 93 N 4.08 -0.28 -1.69 4.92 -0.02 -1.26 -5.05 135.00 135.69 1pzj n PRO 93 Ca -0.21 -0.03 -0.41 0.00 -2.02 0.00 0.00 63.50 60.84 1pzj n PRO 93 Cb 0.51 -2.04 0.02 0.00 -0.02 0.00 0.00 33.50 31.97 1pzj n PRO 93 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1pzj n HIS 94 N -3.70 1.99 -3.66 6.00 8.25 -1.14 -4.47 115.22 118.50 1pzj n HIS 94 Ca 0.09 0.50 -0.36 0.00 -0.26 0.00 0.00 57.72 57.68 1pzj n HIS 94 Cb 0.53 -2.35 -0.09 0.00 1.12 0.00 0.00 29.99 29.19 1pzj n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pzj s ALA 95 N -1.23 3.62 0.03 -1.41 0.00 -0.59 -1.20 121.76 120.98 1pzj s ALA 95 Ca 0.63 -0.86 -0.30 0.00 0.00 0.00 0.00 51.96 51.43 1pzj s ALA 95 Cb -0.50 -2.32 -0.06 0.00 0.00 0.00 0.00 23.12 20.24 1pzj s ALA 95 CO 0.56 -0.16 1.39 0.42 0.00 0.00 0.00 175.76 177.97 1pzj s ILE 96 N 1.00 3.62 -0.24 0.00 1.01 0.17 -0.12 121.20 126.63 1pzj s ILE 96 Ca 0.08 1.06 0.05 0.00 0.00 0.00 0.00 60.65 61.84 1pzj s ILE 96 Cb -0.13 -3.68 -0.18 0.00 0.01 0.00 0.00 42.46 38.47 1pzj s ILE 96 CO 0.04 0.02 -0.17 0.00 0.00 0.00 0.00 174.94 174.83 1pzj n ALA 97 N 4.96 1.46 -3.19 9.38 0.00 0.57 -4.84 120.51 128.85 1pzj n ALA 97 Ca 0.13 -1.13 -0.11 0.00 0.00 0.00 0.00 53.44 52.32 1pzj n ALA 97 Cb 0.43 -0.10 -0.04 0.00 0.00 0.00 0.00 19.45 19.74 1pzj n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pzj s ALA 98 N -2.51 -1.22 0.00 0.00 0.00 -0.93 -4.98 121.76 112.14 1pzj s ALA 98 Ca -0.30 0.24 0.02 0.00 0.00 0.00 0.00 51.96 51.92 1pzj s ALA 98 Cb 0.08 0.71 -0.01 0.00 0.00 0.00 0.00 23.12 23.91 1pzj s ALA 98 CO 0.63 -0.67 -0.06 -1.50 0.00 0.00 0.00 175.76 174.17 1pzj s ILE 99 N -3.57 0.44 -0.01 0.00 2.07 -1.26 -1.02 121.20 117.85 1pzj s ILE 99 Ca 0.01 -0.35 0.07 0.00 -1.41 0.00 0.00 60.65 58.97 1pzj s ILE 99 Cb 0.00 -0.40 -0.02 0.00 0.13 0.00 0.00 42.46 42.18 1pzj s ILE 99 CO -0.11 0.05 -0.23 -0.94 -1.91 0.00 0.00 174.94 171.80 1pzj s SER 100 N -0.33 2.77 -0.07 4.50 1.04 -0.19 -5.00 113.70 116.41 1pzj s SER 100 Ca 0.00 -0.45 0.04 0.00 0.48 0.00 0.00 55.95 56.03 1pzj s SER 100 Cb -0.03 -0.29 -0.00 0.00 0.10 0.00 0.00 66.02 65.79 1pzj s SER 100 CO -0.00 0.27 -0.22 -0.04 0.98 0.00 0.00 173.24 174.24 1pzj s MET 101 N -0.68 2.53 -0.07 4.02 -1.94 -1.26 -0.36 119.30 121.54 1pzj s MET 101 Ca 0.09 -0.78 -0.26 0.00 -1.71 0.00 0.00 55.69 53.04 1pzj s MET 101 Cb -0.09 -2.02 0.06 0.00 2.01 0.00 0.00 34.83 34.79 1pzj s MET 101 CO -0.00 0.22 0.58 0.00 -0.01 0.00 0.00 175.02 175.81 1pzj s ALA 102 N 0.20 -1.50 -2.05 3.03 0.00 -1.20 -4.86 121.76 115.39 1pzj s ALA 102 Ca -0.12 1.16 0.32 0.00 0.00 0.00 0.00 51.96 53.32 1pzj s ALA 102 Cb -0.16 -0.16 1.83 0.00 0.00 0.00 0.00 23.12 24.63 1pzj s ALA 102 CO 0.06 -0.33 2.18 -1.71 0.00 0.00 0.00 175.76 175.96