#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pku s VAL 19 N 0.00 2.70 -0.15 2.28 1.01 -0.62 -4.91 120.40 120.71 2pku s VAL 19 Ca 0.00 -2.50 -0.29 0.00 0.00 0.00 0.00 61.98 59.19 2pku s VAL 19 Cb 0.00 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 2pku s VAL 19 CO 0.00 -0.68 1.68 -2.16 0.00 0.00 0.00 175.10 173.94 2pku s PRO 20 N 0.67 3.91 -0.11 2.72 0.04 -1.26 -2.07 135.00 138.90 2pku s PRO 20 Ca 0.12 1.92 -0.08 0.00 0.04 0.00 0.00 61.00 63.00 2pku s PRO 20 Cb -0.21 -4.04 0.04 0.00 0.04 0.00 0.00 34.50 30.32 2pku s PRO 20 CO -0.05 -1.17 0.27 0.20 0.04 0.00 0.00 177.00 176.29 2pku s GLY 21 N 4.18 -0.19 -0.19 0.56 0.00 -0.54 -5.03 107.32 106.11 2pku s GLY 21 Ca 0.75 0.90 -0.03 0.00 0.00 0.00 0.00 44.72 46.33 2pku s GLY 21 CO 0.30 0.95 -0.05 -1.59 0.00 0.00 0.00 173.10 172.70 2pku s LYS 22 N 0.64 3.45 -0.07 2.90 -2.85 -1.26 -1.23 119.74 121.32 2pku s LYS 22 Ca -0.04 -0.61 0.03 0.00 -1.00 0.00 0.00 55.97 54.35 2pku s LYS 22 Cb -0.05 -2.93 -0.02 0.00 -2.06 0.00 0.00 37.83 32.76 2pku s LYS 22 CO -0.04 -0.03 -0.14 0.54 0.10 0.00 0.00 175.35 175.78 2pku s VAL 23 N 1.04 3.05 -0.81 1.79 0.11 -0.90 -4.96 120.40 119.72 2pku s VAL 23 Ca 0.01 -0.71 -0.14 0.00 -2.93 0.00 0.00 61.98 58.20 2pku s VAL 23 Cb -0.15 -2.21 0.21 0.00 -1.53 0.00 0.00 36.38 32.70 2pku s VAL 23 CO 0.00 0.57 0.76 -0.89 -3.33 0.00 0.00 175.10 172.21 2pku s THR 24 N -0.43 5.55 0.55 5.04 2.01 -1.26 -1.46 115.64 125.64 2pku s THR 24 Ca 0.05 -2.36 -0.07 0.00 0.31 0.00 0.00 61.69 59.63 2pku s THR 24 Cb -0.12 -4.47 -0.03 0.00 0.01 0.00 0.00 72.50 67.89 2pku s THR 24 CO 0.02 -1.03 0.88 -0.76 -0.69 0.00 0.00 174.62 173.04 2pku s LEU 25 N 0.38 3.42 -0.21 4.42 1.43 0.20 -4.80 118.68 123.51 2pku s LEU 25 Ca 0.17 1.01 -0.05 0.00 -1.03 0.00 0.00 54.13 54.23 2pku s LEU 25 Cb -0.12 -3.95 -0.02 0.00 0.03 0.00 0.00 46.19 42.13 2pku s LEU 25 CO -0.08 -0.79 -0.01 -1.10 0.23 0.00 0.00 176.35 174.61 2pku s GLN 26 N -4.93 3.56 0.45 1.70 1.11 -1.26 0.56 119.66 120.85 2pku s GLN 26 Ca 0.51 -0.55 -0.25 0.00 0.01 0.00 0.00 55.36 55.08 2pku s GLN 26 Cb -0.11 -3.07 -0.08 0.00 -1.01 0.00 0.00 33.01 28.75 2pku s GLN 26 CO 0.47 -0.05 1.41 0.15 0.01 0.00 0.00 175.29 177.28 2pku s LYS 27 N 1.15 3.67 0.34 2.91 -0.14 -0.95 -4.77 119.74 121.95 2pku s LYS 27 Ca 0.03 2.37 -0.06 0.00 -1.36 0.00 0.00 55.97 56.95 2pku s LYS 27 Cb -0.14 -2.63 0.08 0.00 -1.68 0.00 0.00 37.83 33.46 2pku s LYS 27 CO 0.01 -0.82 0.35 -3.47 -0.76 0.00 0.00 175.35 170.66 2pku n ASP 28 N -0.24 -0.86 0.22 2.83 2.03 -1.26 -4.84 116.55 114.43 2pku n ASP 28 Ca 0.05 -0.85 0.05 0.00 0.52 0.00 0.00 54.79 54.57 2pku n ASP 28 Cb 0.42 -0.30 0.48 0.00 -0.72 0.00 0.00 41.12 41.00 2pku n ASP 28 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pku h ALA 29 N -2.12 1.53 -0.94 -1.67 0.00 -1.95 -2.30 119.26 111.81 2pku h ALA 29 Ca -0.12 -0.22 -0.49 0.00 0.00 0.00 0.00 54.91 54.07 2pku h ALA 29 Cb 0.37 -0.04 -0.29 0.00 0.00 0.00 0.00 17.79 17.83 2pku h ALA 29 CO 0.08 0.30 0.63 0.00 0.00 0.00 0.00 179.25 180.26 2pku n GLN 30 N -4.14 2.19 -3.79 0.00 10.64 -1.26 -4.89 117.38 116.11 2pku n GLN 30 Ca -0.02 -2.84 -0.29 0.00 -1.83 0.00 0.00 57.00 52.03 2pku n GLN 30 Cb 0.30 -2.11 -0.03 0.00 -0.86 0.00 0.00 30.24 27.53 2pku n GLN 30 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.06 175.50 2pku n ASN 31 N -1.04 -2.48 -3.78 2.61 6.94 -0.86 -4.90 115.26 111.75 2pku n ASN 31 Ca 0.56 -0.65 -0.30 0.00 -0.02 0.00 0.00 54.58 54.17 2pku n ASN 31 Cb 1.59 -2.11 -0.15 0.00 -2.36 0.00 0.00 39.78 36.75 2pku n ASN 31 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2pku s LEU 32 N -6.64 2.64 0.33 -4.53 1.43 -1.26 -4.78 118.68 105.87 2pku s LEU 32 Ca 0.55 -1.73 0.01 0.00 -1.03 0.00 0.00 54.13 51.94 2pku s LEU 32 Cb -0.31 -0.99 0.57 0.00 0.03 0.00 0.00 46.19 45.49 2pku s LEU 32 CO 0.68 -0.41 1.96 0.16 0.23 0.00 0.00 176.35 178.96 2pku h ILE 33 N 6.50 1.18 -0.41 -0.59 3.07 -1.90 -3.35 117.51 122.01 2pku h ILE 33 Ca -0.12 -0.45 0.00 0.00 1.55 0.00 0.00 64.86 65.84 2pku h ILE 33 Cb 1.01 0.36 0.00 0.00 -0.27 0.00 0.00 36.82 37.92 2pku h ILE 33 CO 0.48 0.20 0.00 0.61 -1.05 0.00 0.00 178.15 178.39 2pku n GLY 34 N -1.27 0.53 3.60 0.16 0.00 -1.26 -3.11 105.19 103.84 2pku n GLY 34 Ca 0.06 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 2pku n GLY 34 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2pku s ILE 35 N -0.31 -0.00 -0.12 -0.61 -4.36 -1.26 -4.26 121.20 110.27 2pku s ILE 35 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 60.65 60.35 2pku s ILE 35 Cb 0.00 -0.96 -0.04 0.00 1.25 0.00 0.00 42.46 42.72 2pku s ILE 35 CO 0.00 0.00 0.04 -0.55 0.24 0.00 0.00 174.94 174.67 2pku s SER 36 N 0.73 5.53 0.23 4.36 0.15 -1.12 -5.02 113.70 118.55 2pku s SER 36 Ca -0.03 0.18 0.04 0.00 0.70 0.00 0.00 55.95 56.84 2pku s SER 36 Cb -0.05 -1.72 -0.05 0.00 -1.71 0.00 0.00 66.02 62.49 2pku s SER 36 CO -0.05 0.33 -0.01 0.27 1.20 0.00 0.00 173.24 174.98 2pku s ILE 37 N -0.57 1.04 -0.09 6.45 -5.25 -1.26 0.73 121.20 122.25 2pku s ILE 37 Ca 0.10 -2.04 -0.07 0.00 -0.99 0.00 0.00 60.65 57.66 2pku s ILE 37 Cb -0.12 -2.31 0.03 0.00 2.95 0.00 0.00 42.46 43.01 2pku s ILE 37 CO 0.02 -0.35 0.22 -0.83 -1.79 0.00 0.00 174.94 172.21 2pku s GLY 38 N -3.30 -0.15 0.05 6.27 0.00 0.16 -4.86 107.32 105.50 2pku s GLY 38 Ca 0.28 0.71 -0.27 0.00 0.00 0.00 0.00 44.72 45.44 2pku s GLY 38 CO 0.08 0.72 0.71 -0.32 0.00 0.00 0.00 173.10 174.29 2pku s GLY 39 N 0.42 -0.55 -0.36 0.20 0.00 -1.26 -1.67 107.32 104.10 2pku s GLY 39 Ca -0.03 0.92 -0.03 0.00 0.00 0.00 0.00 44.72 45.58 2pku s GLY 39 CO -0.02 0.46 0.90 -0.32 0.00 0.00 0.00 173.10 174.12 2pku s GLY 40 N -2.19 -1.47 0.56 0.20 0.00 0.09 -3.97 107.32 100.54 2pku s GLY 40 Ca -0.01 0.81 0.40 0.00 0.00 0.00 0.00 44.72 45.92 2pku s GLY 40 CO -0.05 4.07 1.69 0.00 0.00 0.00 0.00 173.10 178.81 2pku h ALA 41 N 5.83 3.32 -0.98 3.20 0.00 -1.83 1.38 119.26 130.18 2pku h ALA 41 Ca -0.00 -0.05 0.26 0.00 0.00 0.00 0.00 54.91 55.12 2pku h ALA 41 Cb 1.21 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 2pku h ALA 41 CO -0.02 -1.78 0.68 0.37 0.00 0.00 0.00 179.25 178.50 2pku h GLN 42 N 0.00 0.17 0.00 0.00 5.75 -1.99 -3.26 115.11 115.78 2pku h GLN 42 Ca 0.67 -0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 59.05 2pku h GLN 42 Cb 2.78 -0.04 -0.11 0.00 1.07 0.00 0.00 27.48 31.18 2pku h GLN 42 CO -0.01 0.12 -0.25 0.66 -2.65 0.00 0.00 178.83 176.70 2pku n TYR 43 N -4.39 0.00 0.00 3.99 4.01 0.89 -5.03 117.16 116.63 2pku n TYR 43 Ca 0.22 -0.42 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 2pku n TYR 43 Cb 0.94 0.46 0.00 0.00 -0.31 0.00 0.00 39.34 40.43 2pku n TYR 43 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2pku n PRO 45 N 0.00 0.16 -2.87 0.00 -0.04 -1.24 -0.73 135.00 130.28 2pku n PRO 45 Ca 0.00 0.50 -0.40 0.00 -0.04 0.00 0.00 63.50 63.56 2pku n PRO 45 Cb 0.00 -1.87 -0.05 0.00 -0.04 0.00 0.00 33.50 31.54 2pku n PRO 45 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pku s LEU 47 N -0.20 4.12 0.03 0.00 2.01 -1.26 -4.56 118.68 118.82 2pku s LEU 47 Ca 0.42 0.91 -0.14 0.00 0.01 0.00 0.00 54.13 55.33 2pku s LEU 47 Cb -0.22 -3.69 0.02 0.00 0.01 0.00 0.00 46.19 42.30 2pku s LEU 47 CO 0.26 -0.12 0.29 -0.31 1.01 0.00 0.00 176.35 177.49 2pku s TYR 48 N -1.91 -0.11 0.56 0.29 2.02 -0.67 -4.15 117.35 113.39 2pku s TYR 48 Ca 0.47 0.02 -0.07 0.00 -0.37 0.00 0.00 57.07 57.12 2pku s TYR 48 Cb -0.11 0.08 -0.02 0.00 -0.40 0.00 0.00 41.96 41.51 2pku s TYR 48 CO 0.23 -0.47 0.90 0.42 -1.57 0.00 0.00 175.55 175.07 2pku s ILE 49 N -2.23 4.48 0.01 2.71 1.01 -1.17 0.39 121.20 126.40 2pku s ILE 49 Ca -0.07 0.36 -0.00 0.00 0.00 0.00 0.00 60.65 60.94 2pku s ILE 49 Cb -0.02 -3.75 -0.00 0.00 0.01 0.00 0.00 42.46 38.70 2pku s ILE 49 CO -0.01 -0.83 -0.01 0.52 0.00 0.00 0.00 174.94 174.61 2pku n VAL 50 N -2.52 0.23 -3.53 2.92 0.31 0.22 -4.43 118.33 111.53 2pku n VAL 50 Ca 0.03 0.10 -0.15 0.00 -0.01 0.00 0.00 64.34 64.31 2pku n VAL 50 Cb 0.55 -1.15 -0.06 0.00 -0.91 0.00 0.00 33.84 32.28 2pku n VAL 50 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2pku s GLN 51 N -1.20 0.92 0.21 5.55 0.74 -1.26 -4.05 119.66 120.57 2pku s GLN 51 Ca -0.00 0.19 0.05 0.00 0.05 0.00 0.00 55.36 55.64 2pku s GLN 51 Cb 0.00 0.43 -0.03 0.00 1.10 0.00 0.00 33.01 34.51 2pku s GLN 51 CO 0.01 -0.29 0.29 0.08 -0.55 0.00 0.00 175.29 174.82 2pku s VAL 52 N -1.28 5.07 0.01 1.34 1.01 -1.26 -2.78 120.40 122.52 2pku s VAL 52 Ca -0.08 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 60.94 2pku s VAL 52 Cb -0.00 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2pku s VAL 52 CO 0.06 -0.24 0.06 -0.36 0.00 0.00 0.00 175.10 174.63 2pku s PHE 53 N -1.91 3.22 0.84 5.22 0.08 -1.26 -5.06 117.98 119.12 2pku s PHE 53 Ca 0.34 0.15 -0.12 0.00 0.12 0.00 0.00 56.93 57.43 2pku s PHE 53 Cb -0.10 -1.70 0.10 0.00 -0.57 0.00 0.00 43.02 40.76 2pku s PHE 53 CO 0.28 0.53 1.16 0.34 -0.10 0.00 0.00 175.22 177.42 2pku s ASP 54 N -1.81 3.49 -1.76 1.36 2.15 -1.26 -3.05 116.67 115.79 2pku s ASP 54 Ca 0.23 2.19 0.00 0.00 0.43 0.00 0.00 52.55 55.41 2pku s ASP 54 Cb -0.12 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 2pku s ASP 54 CO 0.14 -2.73 0.00 0.59 -0.17 0.00 0.00 175.17 173.01 2pku n ASN 55 N -3.70 -5.00 -4.79 -0.34 3.02 -1.26 -4.99 115.26 98.19 2pku n ASN 55 Ca 0.12 0.41 -0.32 0.00 -0.03 0.00 0.00 54.58 54.75 2pku n ASN 55 Cb 0.52 -3.97 -0.07 0.00 -0.61 0.00 0.00 39.78 35.65 2pku n ASN 55 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2pku s THR 56 N -2.62 4.73 0.53 3.41 -4.23 -1.17 -4.97 115.64 111.32 2pku s THR 56 Ca 0.00 -0.50 0.22 0.00 -1.18 0.00 0.00 61.69 60.23 2pku s THR 56 Cb 0.00 -3.20 0.35 0.00 1.34 0.00 0.00 72.50 70.98 2pku s THR 56 CO 0.00 0.28 2.06 1.55 -0.54 0.00 0.00 174.62 177.96 2pku h PRO 57 N 3.81 0.00 -0.02 3.99 0.13 -1.85 0.54 132.00 138.61 2pku h PRO 57 Ca -0.48 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.48 2pku h PRO 57 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2pku h PRO 57 CO 0.64 0.00 -0.74 0.00 -0.23 0.00 0.00 178.00 177.68 2pku h ALA 58 N 1.83 0.73 0.00 -0.56 0.00 -1.82 -2.08 119.26 117.36 2pku h ALA 58 Ca 0.15 -0.64 -0.23 0.00 0.00 0.00 0.00 54.91 54.19 2pku h ALA 58 Cb 0.62 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2pku h ALA 58 CO -0.00 0.85 -1.54 0.00 0.00 0.00 0.00 179.25 178.56 2pku h ALA 59 N 1.16 0.71 -0.07 0.00 0.00 -1.32 -3.10 119.26 116.65 2pku h ALA 59 Ca -0.02 -1.17 -0.21 0.00 0.00 0.00 0.00 54.91 53.51 2pku h ALA 59 Cb 1.30 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2pku h ALA 59 CO 0.11 1.27 -0.82 -0.07 0.00 0.00 0.00 179.25 179.74 2pku h LEU 60 N 0.00 0.62 -0.20 0.00 3.38 -0.02 -3.22 115.31 115.87 2pku h LEU 60 Ca -0.22 -0.44 -0.22 0.00 0.09 0.00 0.00 57.88 57.09 2pku h LEU 60 Cb 1.81 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.37 2pku h LEU 60 CO 0.07 1.21 -0.94 -0.78 0.09 0.00 0.00 178.44 178.09 2pku h ASP 61 N 0.33 0.41 -3.72 -0.43 3.58 -1.52 -3.50 116.42 111.56 2pku h ASP 61 Ca -0.06 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 57.06 2pku h ASP 61 Cb 1.43 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 42.35 2pku h ASP 61 CO 0.15 1.15 -0.36 0.61 -2.88 0.00 0.00 179.24 177.91 2pku n GLY 62 N 0.96 -3.37 1.78 -0.78 0.00 -1.17 -5.04 105.19 97.57 2pku n GLY 62 Ca -0.05 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2pku n GLY 62 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2pku n THR 63 N 0.27 0.00 -3.60 2.61 -1.04 -1.25 -5.09 114.28 106.18 2pku n THR 63 Ca -0.01 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.62 2pku n THR 63 Cb 0.02 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.46 2pku n THR 63 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2pku s VAL 64 N -1.38 5.20 0.02 12.58 -7.23 -1.26 -5.05 120.40 123.28 2pku s VAL 64 Ca 0.00 0.63 -0.03 0.00 -1.81 0.00 0.00 61.98 60.77 2pku s VAL 64 Cb 0.00 -3.62 0.01 0.00 0.56 0.00 0.00 36.38 33.33 2pku s VAL 64 CO 0.00 0.55 0.16 0.00 -0.31 0.00 0.00 175.10 175.50 2pku n ALA 65 N 2.23 -0.44 -1.68 1.32 0.00 -1.26 -4.74 120.51 115.95 2pku n ALA 65 Ca -0.15 -0.15 -0.41 0.00 0.00 0.00 0.00 53.44 52.73 2pku n ALA 65 Cb 0.53 0.07 0.01 0.00 0.00 0.00 0.00 19.45 20.06 2pku n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pku n ALA 66 N -2.67 1.02 0.00 0.00 0.00 -1.26 -2.13 120.51 115.48 2pku n ALA 66 Ca -0.02 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2pku n ALA 66 Cb 0.09 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.32 2pku n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pku n GLY 67 N 0.89 2.94 3.77 0.00 0.00 -1.26 -5.03 105.19 106.50 2pku n GLY 67 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 2pku n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pku s ASP 68 N 0.51 6.83 -0.45 1.61 1.11 -0.90 -4.25 116.67 121.13 2pku s ASP 68 Ca 0.00 2.20 -0.12 0.00 0.18 0.00 0.00 52.55 54.81 2pku s ASP 68 Cb 0.00 -2.61 0.08 0.00 1.07 0.00 0.00 42.92 41.47 2pku s ASP 68 CO 0.00 -0.45 0.33 -0.70 1.18 0.00 0.00 175.17 175.53 2pku s GLU 69 N -2.13 2.75 0.42 8.23 2.12 -0.18 -3.05 118.70 126.86 2pku s GLU 69 Ca 0.54 -1.45 -0.24 0.00 0.36 0.00 0.00 54.97 54.17 2pku s GLU 69 Cb -0.28 -3.94 -0.08 0.00 0.26 0.00 0.00 34.13 30.09 2pku s GLU 69 CO 0.35 -1.02 1.15 -1.50 -0.54 0.00 0.00 175.26 173.70 2pku s ILE 70 N 1.51 3.24 -0.23 -3.70 2.07 -1.26 -0.16 121.20 122.67 2pku s ILE 70 Ca 0.04 0.99 0.09 0.00 -1.41 0.00 0.00 60.65 60.36 2pku s ILE 70 Cb -0.24 -3.53 0.28 0.00 0.13 0.00 0.00 42.46 39.10 2pku s ILE 70 CO 0.04 0.05 1.27 1.07 -1.91 0.00 0.00 174.94 175.45 2pku n THR 71 N -0.11 0.00 0.00 4.00 5.66 0.25 -4.60 114.28 119.48 2pku n THR 71 Ca 0.05 -0.69 0.00 0.00 -3.05 0.00 0.00 64.05 60.37 2pku n THR 71 Cb 0.47 0.83 0.00 0.00 -1.55 0.00 0.00 70.33 70.08 2pku n THR 71 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2pku n GLY 72 N -1.07 1.63 3.38 1.09 0.00 -1.18 -4.27 105.19 104.76 2pku n GLY 72 Ca -0.16 -0.61 0.02 0.00 0.00 0.00 0.00 46.02 45.27 2pku n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pku s VAL 73 N -2.00 -0.75 -1.88 1.61 0.11 -0.40 -1.88 120.40 115.21 2pku s VAL 73 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 2pku s VAL 73 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 2pku s VAL 73 CO 0.00 0.00 0.00 0.59 -3.33 0.00 0.00 175.10 172.36 2pku n ASN 74 N 5.31 -5.81 0.00 3.54 4.13 0.16 -1.38 115.26 121.21 2pku n ASN 74 Ca -0.08 0.11 0.00 0.00 1.68 0.00 0.00 54.58 56.29 2pku n ASN 74 Cb 0.51 -4.89 0.00 0.00 -1.54 0.00 0.00 39.78 33.86 2pku n ASN 74 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2pku n GLY 75 N -0.88 3.02 3.79 7.41 0.00 -1.26 -4.98 105.19 112.29 2pku n GLY 75 Ca -0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 2pku n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pku s ARG 76 N -0.20 2.18 -0.15 1.61 0.52 -0.48 -5.04 118.95 117.39 2pku s ARG 76 Ca 0.00 0.81 -0.08 0.00 -0.52 0.00 0.00 55.73 55.94 2pku s ARG 76 Cb 0.00 -1.92 -0.04 0.00 0.52 0.00 0.00 34.95 33.51 2pku s ARG 76 CO 0.00 -1.60 0.13 0.45 0.02 0.00 0.00 175.30 174.30 2pku s SER 77 N -3.74 6.29 -0.00 0.23 0.15 -1.26 -1.28 113.70 114.08 2pku s SER 77 Ca 0.61 0.37 0.05 0.00 0.70 0.00 0.00 55.95 57.67 2pku s SER 77 Cb -0.15 -2.06 -0.06 0.00 -1.71 0.00 0.00 66.02 62.04 2pku s SER 77 CO 0.55 0.32 0.18 2.30 1.20 0.00 0.00 173.24 177.79 2pku n ILE 78 N 2.57 0.00 -0.03 6.45 -6.64 -1.26 -4.61 119.36 115.83 2pku n ILE 78 Ca -0.18 -0.32 0.23 0.00 -1.77 0.00 0.00 62.75 60.71 2pku n ILE 78 Cb 0.54 0.85 0.72 0.00 -1.44 0.00 0.00 39.64 40.31 2pku n ILE 78 CO 0.00 0.00 0.00 0.50 -1.77 0.00 0.00 176.55 175.28 2pku h LYS 79 N 0.00 0.00 -0.92 6.28 3.64 -1.86 0.14 116.57 123.85 2pku h LYS 79 Ca 0.00 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.85 2pku h LYS 79 Cb 0.14 0.00 -0.29 0.00 -0.41 0.00 0.00 32.23 31.68 2pku h LYS 79 CO 0.00 0.00 0.59 0.41 -2.27 0.00 0.00 179.45 178.18 2pku n GLY 80 N -1.62 5.04 3.33 5.01 0.00 -1.26 -4.36 105.19 111.33 2pku n GLY 80 Ca 0.12 -1.53 -0.17 0.00 0.00 0.00 0.00 46.02 44.43 2pku n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pku s LYS 81 N -3.47 1.40 0.51 1.61 1.02 0.48 -5.14 119.74 116.15 2pku s LYS 81 Ca 0.58 -1.74 0.09 0.00 0.02 0.00 0.00 55.97 54.91 2pku s LYS 81 Cb 0.48 -0.43 0.05 0.00 -0.52 0.00 0.00 37.83 37.41 2pku s LYS 81 CO 0.06 -0.22 0.66 0.99 -0.92 0.00 0.00 175.35 175.92 2pku s THR 82 N -3.60 2.46 0.26 2.17 2.01 -1.26 -4.63 115.64 113.04 2pku s THR 82 Ca 0.34 -1.05 -0.04 0.00 0.31 0.00 0.00 61.69 61.24 2pku s THR 82 Cb 0.07 -2.51 0.26 0.00 0.01 0.00 0.00 72.50 70.33 2pku s THR 82 CO 0.12 0.00 1.90 0.07 -0.69 0.00 0.00 174.62 176.02 2pku h LYS 83 N 0.44 1.21 -0.24 4.92 2.10 -1.89 0.27 116.57 123.38 2pku h LYS 83 Ca -0.35 -0.07 -0.13 0.00 -2.00 0.00 0.00 60.65 58.10 2pku h LYS 83 Cb 1.28 -0.27 -0.01 0.00 -0.90 0.00 0.00 32.23 32.33 2pku h LYS 83 CO 0.44 0.80 -0.38 -0.39 -2.00 0.00 0.00 179.45 177.92 2pku h VAL 84 N 1.24 1.30 0.23 0.07 -1.51 -1.95 -0.86 116.25 114.78 2pku h VAL 84 Ca 0.40 -1.53 -0.01 0.00 -1.23 0.00 0.00 66.70 64.33 2pku h VAL 84 Cb 0.02 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 30.71 2pku h VAL 84 CO -0.13 0.48 -0.11 -0.33 -1.23 0.00 0.00 177.57 176.25 2pku h GLU 85 N 0.45 -0.30 -0.59 5.19 4.39 -1.73 -2.27 114.58 119.70 2pku h GLU 85 Ca 0.04 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.77 2pku h GLU 85 Cb 0.87 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.56 2pku h GLU 85 CO 0.07 0.07 0.39 0.28 -1.16 0.00 0.00 179.01 178.66 2pku h VAL 86 N -0.81 1.16 -0.26 3.13 2.07 -1.02 -1.20 116.25 119.33 2pku h VAL 86 Ca -0.03 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.23 2pku h VAL 86 Cb 0.51 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 2pku h VAL 86 CO 0.05 0.15 0.05 0.00 0.02 0.00 0.00 177.57 177.85 2pku h ALA 87 N 1.21 0.27 -0.08 1.67 0.00 -1.21 -1.62 119.26 119.49 2pku h ALA 87 Ca 0.22 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 2pku h ALA 87 Cb -0.08 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2pku h ALA 87 CO -0.05 -0.36 -0.20 0.87 0.00 0.00 0.00 179.25 179.51 2pku h LYS 88 N 0.15 0.13 -0.20 0.00 6.56 -1.15 -2.13 116.57 119.93 2pku h LYS 88 Ca 0.12 -0.03 -0.01 0.00 -1.06 0.00 0.00 60.65 59.66 2pku h LYS 88 Cb 0.12 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.75 2pku h LYS 88 CO -0.15 0.33 0.08 1.98 -2.06 0.00 0.00 179.45 179.63 2pku h MET 89 N 0.12 0.30 -0.28 3.15 4.05 -0.30 -0.93 114.93 121.03 2pku h MET 89 Ca 0.02 -0.05 -0.11 0.00 -0.28 0.00 0.00 59.70 59.28 2pku h MET 89 Cb 0.43 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.17 2pku h MET 89 CO 0.03 0.36 -0.27 0.82 0.23 0.00 0.00 176.91 178.07 2pku h ILE 90 N 0.17 1.27 0.00 1.77 1.08 -1.17 -1.56 117.51 119.09 2pku h ILE 90 Ca 0.07 -1.35 -0.07 0.00 -0.39 0.00 0.00 64.86 63.12 2pku h ILE 90 Cb 0.17 1.35 -0.01 0.00 -3.07 0.00 0.00 36.82 35.26 2pku h ILE 90 CO -0.01 0.43 -0.32 1.56 -0.69 0.00 0.00 178.15 179.13 2pku h GLN 91 N 0.49 0.00 0.00 2.37 4.20 -1.19 -3.21 115.11 117.78 2pku h GLN 91 Ca 0.07 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 2pku h GLN 91 Cb 0.73 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.51 2pku h GLN 91 CO 0.06 0.32 -0.11 0.93 -0.67 0.00 0.00 178.83 179.35 2pku h GLU 92 N 0.00 0.00 -7.11 1.46 4.39 -0.82 -3.47 114.58 109.04 2pku h GLU 92 Ca -0.00 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.15 2pku h GLU 92 Cb 0.70 0.00 0.18 0.00 -0.10 0.00 0.00 28.75 29.52 2pku h GLU 92 CO 0.04 0.99 0.30 1.55 -1.16 0.00 0.00 179.01 180.73 2pku n VAL 93 N -4.60 2.83 -4.29 3.13 3.14 -0.62 -5.04 118.33 112.89 2pku n VAL 93 Ca -0.12 -0.31 -0.15 0.00 -2.96 0.00 0.00 64.34 60.80 2pku n VAL 93 Cb 0.49 -1.23 -0.10 0.00 -1.06 0.00 0.00 33.84 31.94 2pku n VAL 93 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2pku s LYS 94 N -3.74 1.31 3.55 1.45 -0.14 -1.26 -4.93 119.74 115.98 2pku s LYS 94 Ca 0.75 -1.69 0.00 0.00 -1.36 0.00 0.00 55.97 53.67 2pku s LYS 94 Cb -0.32 -0.21 0.00 0.00 -1.68 0.00 0.00 37.83 35.61 2pku s LYS 94 CO 0.49 -0.26 0.00 0.41 -0.76 0.00 0.00 175.35 175.23 2pku n GLY 95 N -0.39 0.31 3.67 -3.33 0.00 -1.26 -4.69 105.19 99.51 2pku n GLY 95 Ca -0.02 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.69 2pku n GLY 95 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2pku s GLU 96 N 0.00 4.30 0.05 1.61 -1.05 -1.26 -2.24 118.70 120.11 2pku s GLU 96 Ca 0.00 1.58 0.03 0.00 -0.15 0.00 0.00 54.97 56.43 2pku s GLU 96 Cb 0.00 -3.65 -0.04 0.00 -0.44 0.00 0.00 34.13 30.00 2pku s GLU 96 CO 0.00 -0.56 0.00 0.14 0.95 0.00 0.00 175.26 175.79 2pku s VAL 97 N 2.85 4.08 -0.33 1.83 -7.23 0.19 -4.92 120.40 116.87 2pku s VAL 97 Ca 0.52 -0.80 0.01 0.00 -1.81 0.00 0.00 61.98 59.90 2pku s VAL 97 Cb -0.21 -2.89 0.08 0.00 0.56 0.00 0.00 36.38 33.92 2pku s VAL 97 CO 0.16 0.24 0.04 -0.89 -0.31 0.00 0.00 175.10 174.34 2pku s THR 98 N -1.21 2.66 -0.20 5.32 2.01 -1.26 0.59 115.64 123.55 2pku s THR 98 Ca 0.23 -1.90 -0.10 0.00 0.31 0.00 0.00 61.69 60.22 2pku s THR 98 Cb -0.12 -2.74 -0.05 0.00 0.01 0.00 0.00 72.50 69.61 2pku s THR 98 CO 0.15 -0.38 0.15 -0.63 -0.69 0.00 0.00 174.62 173.21 2pku s ILE 99 N 1.08 5.40 -0.53 1.82 1.09 -0.53 0.40 121.20 129.93 2pku s ILE 99 Ca 0.02 0.23 -0.20 0.00 -1.10 0.00 0.00 60.65 59.60 2pku s ILE 99 Cb -0.20 -3.49 0.07 0.00 -1.06 0.00 0.00 42.46 37.77 2pku s ILE 99 CO -0.05 0.43 0.67 -1.00 -0.10 0.00 0.00 174.94 174.89 2pku s HIS 100 N 0.42 3.01 0.41 3.97 3.76 -0.79 -2.12 115.29 123.96 2pku s HIS 100 Ca 0.09 -0.58 0.08 0.00 -0.15 0.00 0.00 55.06 54.49 2pku s HIS 100 Cb -0.11 -3.68 -0.03 0.00 1.11 0.00 0.00 32.58 29.87 2pku s HIS 100 CO -0.01 -1.12 0.33 1.52 -0.85 0.00 0.00 174.74 174.61 2pku s TYR 101 N 2.77 2.71 -0.12 1.40 1.13 -0.37 0.85 117.35 125.72 2pku s TYR 101 Ca 0.16 -0.49 -0.02 0.00 -1.41 0.00 0.00 57.07 55.31 2pku s TYR 101 Cb -0.20 -2.09 0.04 0.00 -1.10 0.00 0.00 41.96 38.62 2pku s TYR 101 CO 0.11 -0.03 0.01 -0.80 -2.51 0.00 0.00 175.55 172.33 2pku s ASN 102 N -4.07 2.15 0.15 -0.18 0.01 0.78 -1.47 114.94 112.30 2pku s ASN 102 Ca 0.46 -0.39 -0.31 0.00 -0.71 0.00 0.00 52.86 51.92 2pku s ASN 102 Cb -0.02 -0.54 -0.08 0.00 0.41 0.00 0.00 41.25 41.02 2pku s ASN 102 CO 0.27 -0.23 1.33 -0.75 -1.51 0.00 0.00 177.10 176.20 2pku s LYS 103 N 1.90 4.37 0.00 -0.60 2.36 -0.88 -1.01 119.74 125.88 2pku s LYS 103 Ca 0.03 2.03 0.00 0.00 -2.55 0.00 0.00 55.97 55.47 2pku s LYS 103 Cb -0.14 -3.23 0.00 0.00 -1.05 0.00 0.00 37.83 33.41 2pku s LYS 103 CO -0.07 -0.32 0.50 1.28 1.55 0.00 0.00 175.35 178.29