#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 1.95 -0.93 2.28 1.01 -0.64 -4.89 120.40 119.17 2pku s VAL 19 Ca 0.00 -2.83 -0.25 0.00 0.00 0.00 0.00 61.98 58.91 2pku s VAL 19 Cb 0.00 -2.37 -0.07 0.00 0.00 0.00 0.00 36.38 33.94 2pku s VAL 19 CO 0.00 -0.83 2.02 -2.16 0.00 0.00 0.00 175.10 174.13 2pku s PRO 20 N 0.16 2.36 -0.09 2.72 0.04 -1.26 -1.83 135.00 137.10 2pku s PRO 20 Ca 0.17 -0.31 0.02 0.00 0.04 0.00 0.00 61.00 60.91 2pku s PRO 20 Cb -0.25 -5.05 -0.02 0.00 0.04 0.00 0.00 34.50 29.23 2pku s PRO 20 CO -0.01 -3.69 -0.14 0.20 0.04 0.00 0.00 177.00 173.40 2pku s GLY 21 N 8.23 1.52 -0.16 0.56 0.00 -0.49 -4.98 107.32 111.99 2pku s GLY 21 Ca 0.73 -0.93 -0.00 0.00 0.00 0.00 0.00 44.72 44.51 2pku s GLY 21 CO 0.03 -0.46 -0.13 -1.59 0.00 0.00 0.00 173.10 170.95 2pku s LYS 22 N -0.13 3.26 0.02 2.90 -2.85 -1.26 -1.86 119.74 119.81 2pku s LYS 22 Ca -0.01 -0.72 0.03 0.00 -1.00 0.00 0.00 55.97 54.26 2pku s LYS 22 Cb -0.14 -2.68 -0.04 0.00 -2.06 0.00 0.00 37.83 32.91 2pku s LYS 22 CO 0.03 0.00 -0.02 0.54 0.10 0.00 0.00 175.35 176.01 2pku s VAL 23 N 0.87 3.97 -0.77 1.79 0.11 -0.76 -4.90 120.40 120.71 2pku s VAL 23 Ca -0.04 -0.75 -0.09 0.00 -2.93 0.00 0.00 61.98 58.17 2pku s VAL 23 Cb -0.15 -2.79 0.20 0.00 -1.53 0.00 0.00 36.38 32.11 2pku s VAL 23 CO -0.00 0.32 0.66 -0.89 -3.33 0.00 0.00 175.10 171.85 2pku s THR 24 N -1.12 4.87 -0.09 5.04 2.01 -1.26 -0.51 115.64 124.58 2pku s THR 24 Ca 0.20 -2.76 -0.11 0.00 0.31 0.00 0.00 61.69 59.32 2pku s THR 24 Cb -0.11 -4.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.30 2pku s THR 24 CO 0.11 -0.98 0.27 -0.76 -0.69 0.00 0.00 174.62 172.57 2pku s LEU 25 N -0.06 4.38 0.83 4.42 1.43 0.30 -4.77 118.68 125.20 2pku s LEU 25 Ca 0.19 0.64 -0.12 0.00 -1.03 0.00 0.00 54.13 53.81 2pku s LEU 25 Cb -0.14 -2.33 0.11 0.00 0.03 0.00 0.00 46.19 43.87 2pku s LEU 25 CO -0.07 0.29 1.19 -1.10 0.23 0.00 0.00 176.35 176.89 2pku s GLN 26 N -0.62 1.64 0.31 1.70 1.11 -1.26 0.01 119.66 122.55 2pku s GLN 26 Ca 0.18 -0.12 -0.12 0.00 0.01 0.00 0.00 55.36 55.31 2pku s GLN 26 Cb -0.14 -1.97 -0.08 0.00 -1.01 0.00 0.00 33.01 29.82 2pku s GLN 26 CO 0.07 -1.76 0.68 0.15 0.01 0.00 0.00 175.29 174.44 2pku s LYS 27 N -5.60 3.87 0.00 2.91 -0.14 -1.03 -4.60 119.74 115.16 2pku s LYS 27 Ca 0.65 0.47 0.00 0.00 -1.36 0.00 0.00 55.97 55.73 2pku s LYS 27 Cb -0.09 -2.50 0.00 0.00 -1.68 0.00 0.00 37.83 33.57 2pku s LYS 27 CO 0.49 0.16 0.00 -3.47 -0.76 0.00 0.00 175.35 171.78 2pku n ASP 28 N -0.55 0.00 -0.01 2.83 2.03 -1.25 -4.87 116.55 114.74 2pku n ASP 28 Ca 0.02 -0.94 0.02 0.00 0.52 0.00 0.00 54.79 54.40 2pku n ASP 28 Cb 0.53 0.00 0.35 0.00 -0.72 0.00 0.00 41.12 41.28 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 -0.91 1.52 -0.45 -1.67 0.00 -1.99 -1.43 119.26 114.32 2pku h ALA 29 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2pku h ALA 29 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2pku h ALA 29 CO 0.00 0.37 0.00 1.04 0.00 0.00 0.00 179.25 180.66 2pku n GLN 30 N -4.37 3.82 -2.44 0.00 1.13 -1.26 -4.89 117.38 109.37 2pku n GLN 30 Ca 0.02 -2.37 -0.19 0.00 -1.94 0.00 0.00 57.00 52.52 2pku n GLN 30 Cb 0.16 -2.02 -0.01 0.00 0.11 0.00 0.00 30.24 28.48 2pku n GLN 30 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2pku n ASN 31 N 0.55 -5.48 -3.82 1.08 5.15 -0.54 -4.96 115.26 107.25 2pku n ASN 31 Ca 0.21 0.02 -0.27 0.00 -0.60 0.00 0.00 54.58 53.93 2pku n ASN 31 Cb 0.93 -4.57 -0.17 0.00 -0.53 0.00 0.00 39.78 35.44 2pku n ASN 31 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2pku s LEU 32 N -5.98 1.36 0.64 1.20 1.43 -1.26 -4.69 118.68 111.38 2pku s LEU 32 Ca 0.01 -0.67 0.38 0.00 -1.03 0.00 0.00 54.13 52.83 2pku s LEU 32 Cb -0.01 -0.74 2.13 0.00 0.03 0.00 0.00 46.19 47.60 2pku s LEU 32 CO 0.02 -0.24 2.26 0.16 0.23 0.00 0.00 176.35 178.78 2pku h ILE 33 N 6.44 0.16 -2.62 -0.59 3.07 -1.93 -3.33 117.51 118.72 2pku h ILE 33 Ca -0.20 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.21 2pku h ILE 33 Cb 1.11 0.94 0.00 0.00 -0.27 0.00 0.00 36.82 38.60 2pku h ILE 33 CO 0.35 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 178.06 2pku n GLY 34 N -1.18 -1.55 3.49 0.16 0.00 -1.26 -2.61 105.19 102.24 2pku n GLY 34 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.41 -0.63 0.32 -0.61 -4.36 -1.26 -4.30 121.20 109.94 2pku s ILE 35 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 60.65 60.25 2pku s ILE 35 Cb 0.00 -1.00 -0.09 0.00 1.25 0.00 0.00 42.46 42.62 2pku s ILE 35 CO 0.00 0.00 0.72 -0.55 0.24 0.00 0.00 174.94 175.35 2pku s SER 36 N 2.54 6.74 0.34 4.36 0.15 -1.25 -4.97 113.70 121.61 2pku s SER 36 Ca -0.04 1.23 0.07 0.00 0.70 0.00 0.00 55.95 57.91 2pku s SER 36 Cb -0.08 -2.35 -0.03 0.00 -1.71 0.00 0.00 66.02 61.85 2pku s SER 36 CO -0.18 -0.21 0.27 0.27 1.20 0.00 0.00 173.24 174.59 2pku s ILE 37 N -1.99 0.05 -0.30 6.45 -4.36 -1.26 0.70 121.20 120.49 2pku s ILE 37 Ca 0.53 -2.00 -0.13 0.00 -0.26 0.00 0.00 60.65 58.79 2pku s ILE 37 Cb -0.10 -2.48 0.17 0.00 1.25 0.00 0.00 42.46 41.30 2pku s ILE 37 CO 0.19 0.00 0.96 -0.83 0.24 0.00 0.00 174.94 175.50 2pku s GLY 38 N -3.40 -0.29 0.15 6.27 0.00 -0.29 -4.68 107.32 105.08 2pku s GLY 38 Ca 0.39 2.89 -0.25 0.00 0.00 0.00 0.00 44.72 47.75 2pku s GLY 38 CO 0.27 3.35 0.96 -0.32 0.00 0.00 0.00 173.10 177.36 2pku s GLY 39 N 2.59 -0.23 0.00 0.20 0.00 -1.26 -1.85 107.32 106.76 2pku s GLY 39 Ca -0.01 0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.83 2pku s GLY 39 CO -0.17 -0.00 0.00 0.61 0.00 0.00 0.00 173.10 173.54 2pku n GLY 40 N -0.47 5.16 3.20 0.20 0.00 -0.01 -3.46 105.19 109.80 2pku n GLY 40 Ca -0.06 -0.70 -0.11 0.00 0.00 0.00 0.00 46.02 45.15 2pku n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pku s ALA 41 N -1.79 -0.48 0.00 4.61 0.00 -1.20 -3.94 121.76 118.96 2pku s ALA 41 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.81 2pku s ALA 41 Cb 0.00 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.39 2pku s ALA 41 CO 0.00 -0.36 0.00 1.04 0.00 0.00 0.00 175.76 176.44 2pku n GLN 42 N 0.73 0.00 -0.01 0.00 1.13 -1.26 -3.31 117.38 114.66 2pku n GLN 42 Ca -0.19 0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 54.81 2pku n GLN 42 Cb 0.59 0.00 0.13 0.00 0.11 0.00 0.00 30.24 31.07 2pku n GLN 42 CO 0.00 0.00 0.00 -0.92 -1.44 0.00 0.00 177.06 174.70 2pku h TYR 43 N 0.00 0.67 -1.46 1.08 3.20 -2.03 -3.37 116.97 115.06 2pku h TYR 43 Ca 0.00 -0.17 -0.44 0.00 3.14 0.00 0.00 58.73 61.26 2pku h TYR 43 Cb 0.00 -0.15 -0.33 0.00 1.54 0.00 0.00 36.73 37.79 2pku h TYR 43 CO 0.00 0.83 -0.97 0.00 -1.64 0.00 0.00 178.16 176.39 2pku h PRO 45 N 3.49 1.21 -6.75 0.00 0.11 -1.73 0.02 132.00 128.35 2pku h PRO 45 Ca 0.03 -0.07 -0.53 0.00 0.11 0.00 0.00 66.00 65.54 2pku h PRO 45 Cb 0.96 -0.27 0.07 0.00 0.11 0.00 0.00 31.00 31.87 2pku h PRO 45 CO 0.41 0.80 0.89 0.00 -0.21 0.00 0.00 178.00 179.89 2pku s LEU 47 N 0.01 4.26 0.26 0.00 2.01 -1.26 -4.39 118.68 119.58 2pku s LEU 47 Ca 0.66 0.49 0.09 0.00 0.01 0.00 0.00 54.13 55.37 2pku s LEU 47 Cb -0.47 -2.32 -0.04 0.00 0.01 0.00 0.00 46.19 43.37 2pku s LEU 47 CO 0.42 0.15 0.08 -0.47 1.01 0.00 0.00 176.35 177.54 2pku s TYR 48 N 0.23 2.84 -0.17 0.29 6.14 -0.77 -3.92 117.35 122.00 2pku s TYR 48 Ca 0.16 -0.19 -0.04 0.00 0.64 0.00 0.00 57.07 57.64 2pku s TYR 48 Cb -0.13 -1.29 -0.02 0.00 0.42 0.00 0.00 41.96 40.94 2pku s TYR 48 CO 0.04 0.57 -0.04 0.42 0.64 0.00 0.00 175.55 177.18 2pku s ILE 49 N -2.26 3.78 0.52 3.14 1.01 -1.25 -1.14 121.20 124.99 2pku s ILE 49 Ca 0.32 -0.39 -0.01 0.00 0.00 0.00 0.00 60.65 60.57 2pku s ILE 49 Cb -0.07 -2.66 0.01 0.00 0.01 0.00 0.00 42.46 39.75 2pku s ILE 49 CO 0.22 0.48 0.76 -0.69 0.00 0.00 0.00 174.94 175.71 2pku s VAL 50 N 0.57 3.51 0.44 2.92 1.01 0.22 -3.30 120.40 125.77 2pku s VAL 50 Ca -0.03 -0.43 -0.21 0.00 0.00 0.00 0.00 61.98 61.31 2pku s VAL 50 Cb -0.14 -3.33 -0.13 0.00 0.00 0.00 0.00 36.38 32.78 2pku s VAL 50 CO 0.03 -0.26 0.44 0.00 0.00 0.00 0.00 175.10 175.31 2pku n GLN 51 N -2.29 0.45 -2.56 2.72 10.64 -1.26 -3.72 117.38 121.37 2pku n GLN 51 Ca 0.04 0.17 -0.26 0.00 -1.83 0.00 0.00 57.00 55.12 2pku n GLN 51 Cb 0.58 -1.43 0.03 0.00 -0.86 0.00 0.00 30.24 28.56 2pku n GLN 51 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 2pku s VAL 52 N -1.56 3.77 0.13 -0.39 1.01 -1.26 -3.78 120.40 118.32 2pku s VAL 52 Ca 0.63 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.47 2pku s VAL 52 Cb -0.58 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 2pku s VAL 52 CO 0.59 -0.44 0.31 -0.36 0.00 0.00 0.00 175.10 175.20 2pku s PHE 53 N -2.87 3.49 0.58 5.22 0.40 -1.26 -5.00 117.98 118.54 2pku s PHE 53 Ca 0.52 0.35 -0.16 0.00 -0.60 0.00 0.00 56.93 57.05 2pku s PHE 53 Cb -0.10 -1.85 -0.05 0.00 0.51 0.00 0.00 43.02 41.53 2pku s PHE 53 CO 0.43 0.49 1.05 -0.51 0.70 0.00 0.00 175.22 177.37 2pku s ASP 54 N -2.70 5.94 -1.08 1.36 1.01 -1.26 -3.57 116.67 116.37 2pku s ASP 54 Ca 0.38 1.78 0.00 0.00 0.71 0.00 0.00 52.55 55.42 2pku s ASP 54 Cb -0.12 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.28 2pku s ASP 54 CO 0.27 -1.06 0.00 0.59 0.21 0.00 0.00 175.17 175.19 2pku n ASN 55 N -1.92 -4.26 -4.75 0.27 5.03 -1.26 -5.01 115.26 103.36 2pku n ASN 55 Ca 0.08 0.25 -0.28 0.00 0.87 0.00 0.00 54.58 55.51 2pku n ASN 55 Cb 0.53 -2.66 -0.07 0.00 -1.02 0.00 0.00 39.78 36.57 2pku n ASN 55 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2pku s THR 56 N -2.37 4.28 0.57 3.41 -4.23 -1.23 -4.97 115.64 111.09 2pku s THR 56 Ca 0.00 -1.05 0.28 0.00 -1.18 0.00 0.00 61.69 59.74 2pku s THR 56 Cb 0.00 -3.12 0.34 0.00 1.34 0.00 0.00 72.50 71.06 2pku s THR 56 CO 0.00 -0.01 2.23 1.55 -0.54 0.00 0.00 174.62 177.85 2pku h PRO 57 N 2.87 0.00 0.04 3.99 0.13 -1.87 0.48 132.00 137.65 2pku h PRO 57 Ca -0.47 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.43 2pku h PRO 57 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2pku h PRO 57 CO 0.62 0.01 -1.06 0.00 -0.23 0.00 0.00 178.00 177.34 2pku h ALA 58 N 1.99 0.29 0.00 -0.56 0.00 -1.73 -1.99 119.26 117.26 2pku h ALA 58 Ca -0.00 -0.88 -0.23 0.00 0.00 0.00 0.00 54.91 53.80 2pku h ALA 58 Cb 0.02 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 2pku h ALA 58 CO 0.00 1.12 -1.45 0.00 0.00 0.00 0.00 179.25 178.92 2pku h ALA 59 N 0.86 0.68 0.18 0.00 0.00 -1.48 -3.14 119.26 116.36 2pku h ALA 59 Ca -0.05 -1.14 -0.31 0.00 0.00 0.00 0.00 54.91 53.40 2pku h ALA 59 Cb 1.80 0.31 0.03 0.00 0.00 0.00 0.00 17.79 19.93 2pku h ALA 59 CO 0.15 1.28 -1.34 -0.07 0.00 0.00 0.00 179.25 179.27 2pku h LEU 60 N 0.00 0.76 0.11 0.00 3.38 -0.17 -3.35 115.31 116.04 2pku h LEU 60 Ca -0.19 -0.77 -0.01 0.00 0.09 0.00 0.00 57.88 57.00 2pku h LEU 60 Cb 1.81 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.32 2pku h LEU 60 CO 0.07 1.59 -0.05 -0.78 0.09 0.00 0.00 178.44 179.36 2pku h ASP 61 N 0.18 -0.12 -1.74 -0.43 1.82 -1.51 -3.50 116.42 111.12 2pku h ASP 61 Ca -0.20 -0.33 0.00 0.00 -0.39 0.00 0.00 57.03 56.10 2pku h ASP 61 Cb 2.03 0.03 0.00 0.00 0.68 0.00 0.00 39.33 42.07 2pku h ASP 61 CO 0.25 0.28 0.00 0.61 -1.61 0.00 0.00 179.24 178.77 2pku n GLY 62 N -0.04 -0.09 2.13 -0.78 0.00 -1.19 -5.06 105.19 100.16 2pku n GLY 62 Ca -0.09 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.30 0.00 -4.06 2.61 -1.04 -1.26 -5.12 114.28 105.12 2pku n THR 63 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.66 2pku n THR 63 Cb 0.01 -0.06 -0.07 0.00 -1.82 0.00 0.00 70.33 68.39 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 -2.00 5.00 0.04 12.58 -7.23 -1.26 -5.08 120.40 122.46 2pku s VAL 64 Ca 0.00 -0.13 -0.20 0.00 -1.81 0.00 0.00 61.98 59.84 2pku s VAL 64 Cb 0.00 -3.22 0.07 0.00 0.56 0.00 0.00 36.38 33.78 2pku s VAL 64 CO 0.00 0.49 0.92 0.00 -0.31 0.00 0.00 175.10 176.20 2pku n ALA 65 N 1.61 -2.54 -1.74 1.32 0.00 -1.26 -4.74 120.51 113.17 2pku n ALA 65 Ca -0.16 -0.69 -0.38 0.00 0.00 0.00 0.00 53.44 52.21 2pku n ALA 65 Cb 0.54 0.24 0.06 0.00 0.00 0.00 0.00 19.45 20.28 2pku n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pku s ALA 66 N -1.79 2.59 0.00 0.00 0.00 -1.24 -3.06 121.76 118.26 2pku s ALA 66 Ca 0.21 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.46 2pku s ALA 66 Cb -0.01 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.54 2pku s ALA 66 CO 0.01 -1.51 0.00 0.41 0.00 0.00 0.00 175.76 174.67 2pku n GLY 67 N 0.82 2.82 3.82 0.00 0.00 -1.21 -4.96 105.19 106.48 2pku n GLY 67 Ca 0.13 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 0.56 5.85 -0.42 1.61 1.11 -1.17 -4.64 116.67 119.56 2pku s ASP 68 Ca 0.00 1.67 -0.07 0.00 0.18 0.00 0.00 52.55 54.33 2pku s ASP 68 Cb 0.00 -2.51 0.09 0.00 1.07 0.00 0.00 42.92 41.57 2pku s ASP 68 CO 0.00 -1.12 0.25 -0.70 1.18 0.00 0.00 175.17 174.77 2pku s GLU 69 N -4.50 2.41 0.48 8.23 -6.30 -0.47 -3.80 118.70 114.75 2pku s GLU 69 Ca 0.60 -1.61 -0.22 0.00 -2.50 0.00 0.00 54.97 51.25 2pku s GLU 69 Cb -0.14 -3.72 -0.07 0.00 0.00 0.00 0.00 34.13 30.20 2pku s GLU 69 CO 0.43 -1.01 1.15 -1.50 0.02 0.00 0.00 175.26 174.35 2pku s ILE 70 N 1.33 3.16 -0.17 -3.70 2.07 -1.25 -0.38 121.20 122.25 2pku s ILE 70 Ca 0.04 0.82 0.07 0.00 -1.41 0.00 0.00 60.65 60.17 2pku s ILE 70 Cb -0.23 -3.39 0.21 0.00 0.13 0.00 0.00 42.46 39.17 2pku s ILE 70 CO -0.00 -0.06 1.09 1.07 -1.91 0.00 0.00 174.94 175.12 2pku n THR 71 N -0.74 0.00 0.00 4.00 5.66 0.10 -4.66 114.28 118.64 2pku n THR 71 Ca 0.09 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.58 2pku n THR 71 Cb 0.49 0.71 0.00 0.00 -1.55 0.00 0.00 70.33 69.98 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 -0.78 2.81 3.09 1.09 0.00 -1.21 -4.23 105.19 105.96 2pku n GLY 72 Ca -0.15 -0.53 -0.06 0.00 0.00 0.00 0.00 46.02 45.28 2pku n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pku s VAL 73 N -2.00 -0.72 -1.80 1.61 1.01 0.10 -0.97 120.40 117.63 2pku s VAL 73 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.99 2pku s VAL 73 Cb 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.55 2pku s VAL 73 CO 0.00 -0.04 0.00 0.59 0.00 0.00 0.00 175.10 175.65 2pku n ASN 74 N 5.39 -5.64 0.00 3.32 4.13 0.15 -1.58 115.26 121.03 2pku n ASN 74 Ca -0.05 0.10 0.00 0.00 1.68 0.00 0.00 54.58 56.31 2pku n ASN 74 Cb 0.50 -4.71 0.00 0.00 -1.54 0.00 0.00 39.78 34.03 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 -0.91 3.05 3.78 7.41 0.00 -1.26 -4.98 105.19 112.28 2pku n GLY 75 Ca -0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.11 4.22 0.35 1.61 0.52 -0.62 -5.03 118.95 119.90 2pku s ARG 76 Ca 0.00 1.61 -0.15 0.00 -0.52 0.00 0.00 55.73 56.67 2pku s ARG 76 Cb 0.00 -2.67 -0.09 0.00 0.52 0.00 0.00 34.95 32.71 2pku s ARG 76 CO 0.00 -0.11 0.78 -1.12 0.02 0.00 0.00 175.30 174.87 2pku s SER 77 N -1.39 6.77 -0.01 0.23 0.01 -1.26 0.03 113.70 118.08 2pku s SER 77 Ca 0.55 1.34 0.01 0.00 1.31 0.00 0.00 55.95 59.17 2pku s SER 77 Cb -0.25 -2.40 0.02 0.00 0.21 0.00 0.00 66.02 63.60 2pku s SER 77 CO 0.31 -0.26 0.75 2.30 0.41 0.00 0.00 173.24 176.75 2pku n ILE 78 N -0.55 0.40 0.13 1.44 -6.64 -1.26 -4.79 119.36 108.09 2pku n ILE 78 Ca 0.04 -0.42 -0.00 0.00 -1.77 0.00 0.00 62.75 60.59 2pku n ILE 78 Cb 0.53 0.71 0.27 0.00 -1.44 0.00 0.00 39.64 39.72 2pku n ILE 78 CO 0.00 0.00 0.00 0.11 -1.77 0.00 0.00 176.55 174.89 2pku h LYS 79 N 0.00 0.12 -0.73 6.28 1.79 -1.90 -2.93 116.57 119.20 2pku h LYS 79 Ca 0.00 -0.06 -0.38 0.00 -2.18 0.00 0.00 60.65 58.03 2pku h LYS 79 Cb 0.92 -0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.34 2pku h LYS 79 CO 0.00 0.52 0.35 0.41 -1.08 0.00 0.00 179.45 179.65 2pku n GLY 80 N -0.25 4.70 3.42 3.86 0.00 -1.26 -4.68 105.19 110.98 2pku n GLY 80 Ca -0.02 -1.17 -0.22 0.00 0.00 0.00 0.00 46.02 44.62 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 -3.29 1.53 0.55 1.61 -0.14 -1.11 -5.15 119.74 113.75 2pku s LYS 81 Ca 0.52 -1.71 0.08 0.00 -1.36 0.00 0.00 55.97 53.50 2pku s LYS 81 Cb 0.45 -1.43 0.07 0.00 -1.68 0.00 0.00 37.83 35.24 2pku s LYS 81 CO 0.06 0.23 0.76 0.95 -0.76 0.00 0.00 175.35 176.59 2pku s THR 82 N -2.76 2.37 0.44 2.17 -4.23 -1.26 -4.83 115.64 107.54 2pku s THR 82 Ca 0.27 -0.94 0.10 0.00 -1.18 0.00 0.00 61.69 59.94 2pku s THR 82 Cb -0.02 -2.42 0.26 0.00 1.34 0.00 0.00 72.50 71.66 2pku s THR 82 CO 0.11 0.00 2.08 0.07 -0.54 0.00 0.00 174.62 176.34 2pku h LYS 83 N 0.21 0.36 -0.11 3.99 2.10 -1.85 -0.23 116.57 121.03 2pku h LYS 83 Ca -0.33 -0.03 -0.21 0.00 -2.00 0.00 0.00 60.65 58.08 2pku h LYS 83 Cb 1.28 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 2pku h LYS 83 CO 0.42 0.25 -0.77 -0.39 -2.00 0.00 0.00 179.45 176.97 2pku h VAL 84 N 0.36 1.33 0.05 0.07 -1.51 -1.94 -1.75 116.25 112.86 2pku h VAL 84 Ca 0.10 -2.07 -0.00 0.00 -1.23 0.00 0.00 66.70 63.50 2pku h VAL 84 Cb -0.01 2.06 0.00 0.00 -2.13 0.00 0.00 31.29 31.21 2pku h VAL 84 CO -0.02 0.64 -0.02 -0.33 -1.23 0.00 0.00 177.57 176.61 2pku h GLU 85 N 0.41 -0.06 -0.54 5.19 4.39 -1.74 -2.39 114.58 119.84 2pku h GLU 85 Ca -0.04 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 2pku h GLU 85 Cb 1.37 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 30.01 2pku h GLU 85 CO 0.15 0.39 0.22 -0.39 -1.16 0.00 0.00 179.01 178.21 2pku h VAL 86 N -0.54 1.20 0.01 3.13 -1.51 -1.15 -1.32 116.25 116.07 2pku h VAL 86 Ca -0.01 -0.62 -0.00 0.00 -1.23 0.00 0.00 66.70 64.85 2pku h VAL 86 Cb 0.48 0.55 0.00 0.00 -2.13 0.00 0.00 31.29 30.20 2pku h VAL 86 CO 0.01 0.24 -0.01 0.00 -1.23 0.00 0.00 177.57 176.59 2pku h ALA 87 N 1.47 -0.02 -0.16 5.19 0.00 -1.31 -2.38 119.26 122.05 2pku h ALA 87 Ca 0.19 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2pku h ALA 87 Cb 0.15 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2pku h ALA 87 CO -0.02 -0.44 -0.13 0.87 0.00 0.00 0.00 179.25 179.53 2pku h LYS 88 N -0.15 0.26 0.57 0.00 6.56 -1.22 -2.29 116.57 120.28 2pku h LYS 88 Ca -0.00 -0.06 -0.03 0.00 -1.06 0.00 0.00 60.65 59.50 2pku h LYS 88 Cb 0.15 -0.03 0.01 0.00 -0.57 0.00 0.00 32.23 31.78 2pku h LYS 88 CO 0.00 0.39 -0.27 1.98 -2.06 0.00 0.00 179.45 179.50 2pku h MET 89 N 0.24 -0.73 -0.15 3.15 4.05 -0.94 0.53 114.93 121.08 2pku h MET 89 Ca 0.05 0.05 0.01 0.00 -0.28 0.00 0.00 59.70 59.53 2pku h MET 89 Cb 0.38 0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.34 2pku h MET 89 CO 0.02 -0.49 0.07 0.82 0.23 0.00 0.00 176.91 177.56 2pku h ILE 90 N -0.76 0.99 -0.01 1.77 1.08 -1.33 -0.45 117.51 118.80 2pku h ILE 90 Ca -0.08 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 2pku h ILE 90 Cb 0.58 0.83 -0.00 0.00 -3.07 0.00 0.00 36.82 35.16 2pku h ILE 90 CO 0.13 0.03 0.01 1.56 -0.69 0.00 0.00 178.15 179.19 2pku h GLN 91 N 0.15 0.00 0.13 2.37 4.20 -1.35 -2.12 115.11 118.49 2pku h GLN 91 Ca 0.06 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.50 2pku h GLN 91 Cb 0.02 0.00 0.03 0.00 0.30 0.00 0.00 27.48 27.83 2pku h GLN 91 CO -0.05 0.00 -1.14 0.93 -0.67 0.00 0.00 178.83 177.90 2pku h GLU 92 N 0.00 0.55 -6.97 1.46 4.39 0.06 -3.46 114.58 110.61 2pku h GLU 92 Ca 0.01 -0.76 -0.55 0.00 0.34 0.00 0.00 59.36 58.39 2pku h GLU 92 Cb 0.03 0.26 0.13 0.00 -0.10 0.00 0.00 28.75 29.07 2pku h GLU 92 CO -0.00 1.34 0.57 0.28 -1.16 0.00 0.00 179.01 180.04 2pku n VAL 93 N -3.88 3.31 -4.23 3.13 0.31 -0.27 -5.02 118.33 111.68 2pku n VAL 93 Ca -0.14 -0.50 -0.19 0.00 -0.01 0.00 0.00 64.34 63.50 2pku n VAL 93 Cb 0.94 -1.65 -0.12 0.00 -0.91 0.00 0.00 33.84 32.11 2pku n VAL 93 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 2pku s LYS 94 N -2.63 0.98 4.44 5.55 0.00 -1.26 -4.97 119.74 121.84 2pku s LYS 94 Ca 0.67 -1.15 0.00 0.00 0.00 0.00 0.00 55.97 55.49 2pku s LYS 94 Cb -0.44 -0.95 0.00 0.00 0.00 0.00 0.00 37.83 36.44 2pku s LYS 94 CO 0.53 0.20 0.00 0.41 0.00 0.00 0.00 175.35 176.48 2pku n GLY 95 N 0.81 0.93 3.63 0.59 0.00 -1.26 -4.69 105.19 105.20 2pku n GLY 95 Ca -0.18 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 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 3.85 -0.10 1.61 1.03 -1.26 -2.45 118.70 121.37 2pku s GLU 96 Ca 0.00 1.44 -0.03 0.00 0.03 0.00 0.00 54.97 56.42 2pku s GLU 96 Cb 0.00 -3.96 -0.03 0.00 -0.80 0.00 0.00 34.13 29.34 2pku s GLU 96 CO 0.00 -1.22 0.00 0.08 -1.33 0.00 0.00 175.26 172.79 2pku s VAL 97 N 4.80 4.29 -0.08 1.83 1.01 0.10 -4.94 120.40 127.41 2pku s VAL 97 Ca 0.64 -0.25 -0.00 0.00 0.00 0.00 0.00 61.98 62.37 2pku s VAL 97 Cb -0.21 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 2pku s VAL 97 CO 0.26 0.58 -0.04 -0.89 0.00 0.00 0.00 175.10 175.01 2pku s THR 98 N -0.61 3.92 -0.11 3.92 2.01 -1.26 0.11 115.64 123.61 2pku s THR 98 Ca 0.10 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 61.72 2pku s THR 98 Cb -0.12 -2.63 0.02 0.00 0.01 0.00 0.00 72.50 69.78 2pku s THR 98 CO 0.02 0.59 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.79 2pku s ILE 99 N -0.72 1.35 -0.56 1.82 -1.09 0.34 0.29 121.20 122.63 2pku s ILE 99 Ca 0.11 -0.53 -0.18 0.00 -2.23 0.00 0.00 60.65 57.82 2pku s ILE 99 Cb -0.11 -1.27 0.09 0.00 -1.58 0.00 0.00 42.46 39.59 2pku s ILE 99 CO 0.02 0.42 0.65 -1.00 -1.23 0.00 0.00 174.94 173.79 2pku s HIS 100 N 1.26 3.05 0.19 3.97 3.76 -0.15 -1.84 115.29 125.53 2pku s HIS 100 Ca -0.02 -0.87 0.09 0.00 -0.15 0.00 0.00 55.06 54.11 2pku s HIS 100 Cb -0.14 -3.82 -0.04 0.00 1.11 0.00 0.00 32.58 29.69 2pku s HIS 100 CO -0.05 -1.17 -0.11 1.52 -0.85 0.00 0.00 174.74 174.07 2pku s TYR 101 N 2.51 2.58 -0.19 1.40 1.13 -0.78 -0.72 117.35 123.28 2pku s TYR 101 Ca 0.11 -0.24 -0.02 0.00 -1.41 0.00 0.00 57.07 55.51 2pku s TYR 101 Cb -0.23 -1.26 -0.00 0.00 -1.10 0.00 0.00 41.96 39.37 2pku s TYR 101 CO 0.07 0.52 -0.11 -0.80 -2.51 0.00 0.00 175.55 172.72 2pku s ASN 102 N -2.84 3.87 0.16 -0.18 0.01 0.48 -1.40 114.94 115.04 2pku s ASN 102 Ca 0.25 -0.47 -0.30 0.00 -0.71 0.00 0.00 52.86 51.63 2pku s ASN 102 Cb -0.09 -1.63 -0.07 0.00 0.41 0.00 0.00 41.25 39.87 2pku s ASN 102 CO 0.15 0.02 1.04 -0.75 -1.51 0.00 0.00 177.10 176.04 2pku s LYS 103 N 1.24 4.65 0.00 -0.60 2.20 -0.76 -1.37 119.74 125.10 2pku s LYS 103 Ca 0.03 1.60 0.00 0.00 -0.36 0.00 0.00 55.97 57.24 2pku s LYS 103 Cb -0.14 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.86 2pku s LYS 103 CO -0.05 0.16 0.00 1.28 -0.36 0.00 0.00 175.35 176.38