#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 2.34 0.02 2.28 0.11 -0.87 -4.97 120.40 119.31 2pku s VAL 19 Ca 0.00 -2.82 -0.36 0.00 -2.93 0.00 0.00 61.98 55.86 2pku s VAL 19 Cb 0.00 -2.67 -0.15 0.00 -1.53 0.00 0.00 36.38 32.03 2pku s VAL 19 CO 0.00 -0.72 1.52 -2.65 -3.33 0.00 0.00 175.10 169.92 2pku n PRO 20 N 3.65 1.48 -3.77 1.54 -0.02 -1.26 -2.92 135.00 133.69 2pku n PRO 20 Ca 0.05 0.54 -0.13 0.00 -2.02 0.00 0.00 63.50 61.93 2pku n PRO 20 Cb 0.36 -2.24 -0.14 0.00 -0.02 0.00 0.00 33.50 31.47 2pku n PRO 20 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2pku s GLY 21 N 1.50 -0.07 -0.18 -1.23 0.00 0.13 -4.96 107.32 102.52 2pku s GLY 21 Ca 0.87 0.63 -0.00 0.00 0.00 0.00 0.00 44.72 46.22 2pku s GLY 21 CO 0.49 0.84 -0.16 -1.59 0.00 0.00 0.00 173.10 172.67 2pku s LYS 22 N 0.86 3.10 -0.12 2.90 -2.85 -1.26 0.45 119.74 122.83 2pku s LYS 22 Ca -0.06 -0.78 -0.02 0.00 -1.00 0.00 0.00 55.97 54.10 2pku s LYS 22 Cb -0.08 -2.66 -0.03 0.00 -2.06 0.00 0.00 37.83 32.99 2pku s LYS 22 CO -0.04 -0.17 -0.03 0.54 0.10 0.00 0.00 175.35 175.75 2pku s VAL 23 N 1.24 4.01 -0.72 1.79 0.11 -0.87 -4.94 120.40 121.02 2pku s VAL 23 Ca 0.03 -0.34 -0.17 0.00 -2.93 0.00 0.00 61.98 58.57 2pku s VAL 23 Cb -0.14 -2.72 0.15 0.00 -1.53 0.00 0.00 36.38 32.14 2pku s VAL 23 CO -0.08 0.54 0.78 -0.89 -3.33 0.00 0.00 175.10 172.11 2pku s THR 24 N -0.20 5.10 0.05 5.04 2.01 -1.26 -1.41 115.64 124.98 2pku s THR 24 Ca 0.04 -1.63 0.02 0.00 0.31 0.00 0.00 61.69 60.43 2pku s THR 24 Cb -0.13 -4.52 -0.04 0.00 0.01 0.00 0.00 72.50 67.83 2pku s THR 24 CO 0.02 -1.14 0.07 -0.76 -0.69 0.00 0.00 174.62 172.13 2pku s LEU 25 N 1.76 3.79 0.32 4.42 1.43 0.29 -4.84 118.68 125.85 2pku s LEU 25 Ca 0.16 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 2pku s LEU 25 Cb -0.17 -2.38 -0.03 0.00 0.03 0.00 0.00 46.19 43.63 2pku s LEU 25 CO -0.02 0.21 0.52 -1.10 0.23 0.00 0.00 176.35 176.19 2pku s GLN 26 N -2.14 3.49 0.56 1.70 1.11 -1.26 0.10 119.66 123.22 2pku s GLN 26 Ca 0.27 -0.35 -0.16 0.00 0.01 0.00 0.00 55.36 55.12 2pku s GLN 26 Cb -0.12 -2.70 -0.06 0.00 -1.01 0.00 0.00 33.01 29.12 2pku s GLN 26 CO 0.19 0.20 1.02 0.15 0.01 0.00 0.00 175.29 176.86 2pku s LYS 27 N -4.15 3.61 0.00 2.91 -0.14 -1.25 -4.75 119.74 115.98 2pku s LYS 27 Ca 0.39 1.10 0.00 0.00 -1.36 0.00 0.00 55.97 56.10 2pku s LYS 27 Cb -0.10 -2.08 0.00 0.00 -1.68 0.00 0.00 37.83 33.97 2pku s LYS 27 CO 0.34 -0.56 0.00 -3.47 -0.76 0.00 0.00 175.35 170.90 2pku n ASP 28 N -1.80 0.00 0.06 2.83 2.03 -1.25 -4.86 116.55 113.56 2pku n ASP 28 Ca 0.08 -0.88 0.01 0.00 0.52 0.00 0.00 54.79 54.51 2pku n ASP 28 Cb 0.53 0.00 0.32 0.00 -0.72 0.00 0.00 41.12 41.26 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 -1.61 1.39 -0.79 -1.67 0.00 -1.98 -2.19 119.26 112.41 2pku h ALA 29 Ca 0.00 -0.23 -0.30 0.00 0.00 0.00 0.00 54.91 54.38 2pku h ALA 29 Cb 0.00 -0.11 -0.18 0.00 0.00 0.00 0.00 17.79 17.50 2pku h ALA 29 CO 0.00 0.42 0.38 1.04 0.00 0.00 0.00 179.25 181.09 2pku n GLN 30 N -4.25 3.21 -2.39 0.00 3.00 -1.26 -4.88 117.38 110.81 2pku n GLN 30 Ca 0.00 -2.93 -0.14 0.00 -0.01 0.00 0.00 57.00 53.92 2pku n GLN 30 Cb 0.28 -2.17 -0.01 0.00 0.00 0.00 0.00 30.24 28.35 2pku n GLN 30 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 2pku n ASN 31 N -0.41 -4.25 -3.94 1.08 5.15 -0.82 -4.93 115.26 107.13 2pku n ASN 31 Ca 0.45 0.16 -0.31 0.00 -0.60 0.00 0.00 54.58 54.29 2pku n ASN 31 Cb 1.44 -3.61 -0.15 0.00 -0.53 0.00 0.00 39.78 36.93 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 -5.61 3.43 0.54 1.20 1.43 -1.26 -4.65 118.68 113.77 2pku s LEU 32 Ca 0.00 -1.66 0.22 0.00 -1.03 0.00 0.00 54.13 51.66 2pku s LEU 32 Cb 0.00 -1.33 1.45 0.00 0.03 0.00 0.00 46.19 46.34 2pku s LEU 32 CO 0.00 -0.32 2.12 0.16 0.23 0.00 0.00 176.35 178.54 2pku h ILE 33 N 6.62 0.77 -2.22 -0.59 3.07 -1.91 -3.33 117.51 119.93 2pku h ILE 33 Ca -0.12 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.29 2pku h ILE 33 Cb 1.04 0.91 0.00 0.00 -0.27 0.00 0.00 36.82 38.49 2pku h ILE 33 CO 0.47 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 178.18 2pku n GLY 34 N -1.51 -1.00 3.61 0.16 0.00 -1.26 -2.68 105.19 102.52 2pku n GLY 34 Ca 0.01 -0.30 -0.03 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.47 -0.57 -0.07 -0.61 -4.36 -1.26 -4.33 121.20 109.54 2pku s ILE 35 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 60.65 60.20 2pku s ILE 35 Cb 0.00 -1.00 -0.05 0.00 1.25 0.00 0.00 42.46 42.66 2pku s ILE 35 CO 0.00 0.00 0.52 -0.55 0.24 0.00 0.00 174.94 175.15 2pku s SER 36 N 2.36 6.81 0.46 4.36 0.15 -0.77 -5.04 113.70 122.02 2pku s SER 36 Ca -0.07 0.96 0.03 0.00 0.70 0.00 0.00 55.95 57.57 2pku s SER 36 Cb -0.09 -2.31 -0.03 0.00 -1.71 0.00 0.00 66.02 61.88 2pku s SER 36 CO -0.19 0.07 0.03 0.27 1.20 0.00 0.00 173.24 174.62 2pku s ILE 37 N 0.17 1.23 -0.29 6.45 -4.36 -1.26 -1.05 121.20 122.09 2pku s ILE 37 Ca 0.28 -2.00 -0.14 0.00 -0.26 0.00 0.00 60.65 58.53 2pku s ILE 37 Cb -0.16 -2.42 0.10 0.00 1.25 0.00 0.00 42.46 41.23 2pku s ILE 37 CO 0.13 0.00 0.70 -0.83 0.24 0.00 0.00 174.94 175.18 2pku s GLY 38 N -3.76 -0.63 -0.22 6.27 0.00 -0.13 -4.78 107.32 104.08 2pku s GLY 38 Ca 0.18 2.45 -0.28 0.00 0.00 0.00 0.00 44.72 47.07 2pku s GLY 38 CO 0.09 2.63 1.07 -0.32 0.00 0.00 0.00 173.10 176.58 2pku s GLY 39 N 2.02 -0.15 0.00 0.20 0.00 -1.26 -1.86 107.32 106.27 2pku s GLY 39 Ca -0.09 2.43 0.00 0.00 0.00 0.00 0.00 44.72 47.07 2pku s GLY 39 CO -0.19 1.38 0.00 0.61 0.00 0.00 0.00 173.10 174.90 2pku n GLY 40 N 1.29 -1.23 0.58 0.20 0.00 0.32 -3.88 105.19 102.46 2pku n GLY 40 Ca -0.10 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2pku n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pku n ALA 41 N -3.00 0.00 -0.08 4.61 0.00 -0.30 -3.73 120.51 118.01 2pku n ALA 41 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2pku n ALA 41 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 2pku n ALA 41 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2pku h GLN 42 N 0.00 0.00 -0.67 0.00 4.20 -1.97 -2.97 115.11 113.70 2pku h GLN 42 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2pku h GLN 42 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2pku h GLN 42 CO 0.00 0.73 0.00 0.66 -0.67 0.00 0.00 178.83 179.55 2pku n TYR 43 N -4.56 1.60 0.00 2.96 4.01 -1.26 -4.50 117.16 115.40 2pku n TYR 43 Ca -0.18 -0.56 0.00 0.00 -0.16 0.00 0.00 57.90 57.01 2pku n TYR 43 Cb 0.47 -0.40 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 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 0.06 -2.17 0.00 -0.04 -1.12 0.12 135.00 131.84 2pku n PRO 45 Ca 0.00 0.16 -0.42 0.00 -0.04 0.00 0.00 63.50 63.20 2pku n PRO 45 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 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 1.66 3.18 -0.06 0.00 2.01 -1.26 -4.05 118.68 120.15 2pku s LEU 47 Ca 0.65 -0.14 -0.15 0.00 0.01 0.00 0.00 54.13 54.50 2pku s LEU 47 Cb -0.35 -1.82 0.03 0.00 0.01 0.00 0.00 46.19 44.06 2pku s LEU 47 CO 0.29 0.28 0.35 -0.31 1.01 0.00 0.00 176.35 177.98 2pku s TYR 48 N -1.00 -0.29 0.46 0.29 2.02 -0.78 -4.23 117.35 113.82 2pku s TYR 48 Ca 0.17 0.59 -0.23 0.00 -0.37 0.00 0.00 57.07 57.24 2pku s TYR 48 Cb -0.11 0.13 -0.07 0.00 -0.40 0.00 0.00 41.96 41.51 2pku s TYR 48 CO 0.08 -0.33 1.15 0.42 -1.57 0.00 0.00 175.55 175.30 2pku s ILE 49 N -0.74 3.16 -0.07 2.71 1.01 -1.25 -0.95 121.20 125.06 2pku s ILE 49 Ca -0.08 0.86 -0.03 0.00 0.00 0.00 0.00 60.65 61.40 2pku s ILE 49 Cb -0.04 -3.42 -0.03 0.00 0.01 0.00 0.00 42.46 38.97 2pku s ILE 49 CO 0.03 -0.03 -0.09 1.33 0.00 0.00 0.00 174.94 176.19 2pku n VAL 50 N -0.55 0.40 -3.60 2.92 0.24 -0.22 -4.25 118.33 113.27 2pku n VAL 50 Ca 0.08 -0.11 -0.09 0.00 -2.04 0.00 0.00 64.34 62.17 2pku n VAL 50 Cb 0.48 -1.38 -0.06 0.00 -1.47 0.00 0.00 33.84 31.42 2pku n VAL 50 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2pku s GLN 51 N -2.13 0.52 0.33 7.34 0.74 -1.24 -4.32 119.66 120.90 2pku s GLN 51 Ca -0.10 0.25 0.07 0.00 0.05 0.00 0.00 55.36 55.63 2pku s GLN 51 Cb 0.04 0.25 -0.02 0.00 1.10 0.00 0.00 33.01 34.38 2pku s GLN 51 CO 0.13 -0.14 0.40 0.08 -0.55 0.00 0.00 175.29 175.21 2pku s VAL 52 N -0.73 3.95 -0.06 1.34 1.01 -1.26 -1.85 120.40 122.79 2pku s VAL 52 Ca 0.00 -1.14 0.03 0.00 0.00 0.00 0.00 61.98 60.87 2pku s VAL 52 Cb -0.02 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 2pku s VAL 52 CO -0.01 -0.18 -0.12 -0.36 0.00 0.00 0.00 175.10 174.43 2pku s PHE 53 N -2.21 2.77 0.98 5.22 0.40 -1.26 -4.98 117.98 118.90 2pku s PHE 53 Ca 0.43 -0.15 -0.11 0.00 -0.60 0.00 0.00 56.93 56.50 2pku s PHE 53 Cb -0.08 -1.67 0.17 0.00 0.51 0.00 0.00 43.02 41.95 2pku s PHE 53 CO 0.29 0.19 1.05 -3.47 0.70 0.00 0.00 175.22 173.98 2pku n ASP 54 N 2.38 -0.32 -0.21 1.36 -0.08 -1.26 -3.02 116.55 115.40 2pku n ASP 54 Ca -0.17 0.28 -0.03 0.00 -1.51 0.00 0.00 54.79 53.36 2pku n ASP 54 Cb 0.52 -1.40 -0.01 0.00 2.34 0.00 0.00 41.12 42.57 2pku n ASP 54 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2pku n ASN 55 N -4.17 -4.71 -4.78 1.67 3.02 -1.26 -4.99 115.26 100.03 2pku n ASN 55 Ca 0.09 0.07 -0.30 0.00 -0.03 0.00 0.00 54.58 54.42 2pku n ASN 55 Cb 0.53 -2.46 -0.06 0.00 -0.61 0.00 0.00 39.78 37.18 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 -1.64 4.52 0.40 3.41 -4.23 -1.17 -4.97 115.64 111.96 2pku s THR 56 Ca 0.00 -0.83 0.07 0.00 -1.18 0.00 0.00 61.69 59.75 2pku s THR 56 Cb 0.00 -3.20 0.28 0.00 1.34 0.00 0.00 72.50 70.91 2pku s THR 56 CO 0.00 0.08 2.03 1.55 -0.54 0.00 0.00 174.62 177.74 2pku h PRO 57 N 3.12 0.59 -0.21 3.99 0.13 -1.84 0.28 132.00 138.05 2pku h PRO 57 Ca -0.47 -0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 64.51 2pku h PRO 57 Cb 1.17 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 2pku h PRO 57 CO 0.65 0.39 -0.36 0.00 -0.23 0.00 0.00 178.00 178.45 2pku h ALA 58 N 1.70 0.99 0.00 -0.56 0.00 -1.74 -2.16 119.26 117.49 2pku h ALA 58 Ca 0.20 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 2pku h ALA 58 Cb 0.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2pku h ALA 58 CO -0.05 0.61 -0.32 0.00 0.00 0.00 0.00 179.25 179.49 2pku h ALA 59 N 1.23 0.06 -0.90 0.00 0.00 -1.58 -3.08 119.26 114.99 2pku h ALA 59 Ca 0.04 -0.57 0.15 0.00 0.00 0.00 0.00 54.91 54.53 2pku h ALA 59 Cb 0.81 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 18.70 2pku h ALA 59 CO 0.07 0.19 0.49 -0.07 0.00 0.00 0.00 179.25 179.93 2pku h LEU 60 N -1.00 0.63 0.62 0.00 3.38 -0.57 -2.63 115.31 115.74 2pku h LEU 60 Ca -0.08 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2pku h LEU 60 Cb 0.86 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.59 2pku h LEU 60 CO -0.05 0.26 -0.30 0.44 0.09 0.00 0.00 178.44 178.89 2pku h ASP 61 N 0.69 -0.70 -0.64 -0.43 3.32 -1.53 -3.49 116.42 113.63 2pku h ASP 61 Ca 0.49 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.52 2pku h ASP 61 Cb 0.68 0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.42 2pku h ASP 61 CO -0.36 -0.34 0.00 0.61 -1.72 0.00 0.00 179.24 177.43 2pku n GLY 62 N -0.67 0.50 2.13 2.75 0.00 -0.99 -5.08 105.19 103.83 2pku n GLY 62 Ca -0.12 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.16 0.00 -3.43 2.61 -1.04 -1.25 -5.10 114.28 105.91 2pku n THR 63 Ca 0.00 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.62 2pku n THR 63 Cb 0.05 -0.12 -0.09 0.00 -1.82 0.00 0.00 70.33 68.35 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 -1.74 5.20 0.00 12.58 -7.23 -1.26 -5.02 120.40 122.93 2pku s VAL 64 Ca 0.00 0.51 0.00 0.00 -1.81 0.00 0.00 61.98 60.68 2pku s VAL 64 Cb 0.00 -3.67 0.00 0.00 0.56 0.00 0.00 36.38 33.27 2pku s VAL 64 CO 0.00 0.19 0.00 0.00 -0.31 0.00 0.00 175.10 174.98 2pku n ALA 65 N 5.17 0.00 -1.66 1.32 0.00 -1.26 -4.70 120.51 119.38 2pku n ALA 65 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.94 2pku n ALA 65 Cb 0.51 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.98 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 -3.00 0.82 0.00 0.00 0.00 -1.26 -2.32 120.51 114.76 2pku n ALA 66 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2pku n ALA 66 Cb 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.25 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 0.99 2.96 3.82 0.00 0.00 -1.26 -5.03 105.19 106.67 2pku n GLY 67 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 0.64 4.88 -0.35 1.61 1.11 -0.98 -4.40 116.67 119.18 2pku s ASP 68 Ca 0.00 1.33 0.02 0.00 0.18 0.00 0.00 52.55 54.08 2pku s ASP 68 Cb 0.00 -2.11 0.10 0.00 1.07 0.00 0.00 42.92 41.98 2pku s ASP 68 CO 0.00 -1.73 0.07 -0.70 1.18 0.00 0.00 175.17 174.00 2pku s GLU 69 N -5.18 1.70 0.23 8.23 -6.30 -0.43 -3.91 118.70 113.05 2pku s GLU 69 Ca 0.60 -1.80 -0.30 0.00 -2.50 0.00 0.00 54.97 50.97 2pku s GLU 69 Cb -0.14 -3.27 -0.09 0.00 0.00 0.00 0.00 34.13 30.63 2pku s GLU 69 CO 0.54 -0.93 1.27 -1.50 0.02 0.00 0.00 175.26 174.66 2pku s ILE 70 N 0.99 3.18 -0.31 -3.70 2.07 -1.26 -0.13 121.20 122.04 2pku s ILE 70 Ca 0.08 1.04 0.10 0.00 -1.41 0.00 0.00 60.65 60.46 2pku s ILE 70 Cb -0.20 -3.66 0.34 0.00 0.13 0.00 0.00 42.46 39.07 2pku s ILE 70 CO -0.07 0.18 1.36 1.07 -1.91 0.00 0.00 174.94 175.58 2pku n THR 71 N 2.09 0.00 0.00 4.00 5.66 0.14 -4.70 114.28 121.48 2pku n THR 71 Ca 0.04 -0.95 0.00 0.00 -3.05 0.00 0.00 64.05 60.09 2pku n THR 71 Cb 0.43 0.92 0.00 0.00 -1.55 0.00 0.00 70.33 70.13 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 -1.14 2.82 2.71 1.09 0.00 -1.17 -4.31 105.19 105.19 2pku n GLY 72 Ca -0.13 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.72 -0.18 -1.77 1.61 1.01 0.10 -0.05 120.40 120.40 2pku s VAL 73 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.13 2pku s VAL 73 Cb 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.98 2pku s VAL 73 CO 0.00 -0.03 0.00 -3.20 0.00 0.00 0.00 175.10 171.87 2pku n ASN 74 N 5.30 -5.81 0.00 3.32 4.05 0.24 -1.40 115.26 120.96 2pku n ASN 74 Ca -0.05 0.01 0.00 0.00 0.45 0.00 0.00 54.58 54.99 2pku n ASN 74 Cb 0.50 -4.85 0.00 0.00 1.23 0.00 0.00 39.78 36.65 2pku n ASN 74 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2pku n GLY 75 N -0.98 2.91 3.77 8.20 0.00 -1.25 -4.93 105.19 112.89 2pku n GLY 75 Ca -0.24 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 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 0.00 4.08 -0.14 1.61 0.52 -0.50 -5.00 118.95 119.53 2pku s ARG 76 Ca 0.00 1.93 -0.21 0.00 -0.52 0.00 0.00 55.73 56.92 2pku s ARG 76 Cb 0.00 -2.74 -0.03 0.00 0.52 0.00 0.00 34.95 32.70 2pku s ARG 76 CO 0.00 -0.32 0.63 -1.12 0.02 0.00 0.00 175.30 174.51 2pku s SER 77 N -1.00 6.80 0.00 0.23 0.01 -1.26 -0.72 113.70 117.75 2pku s SER 77 Ca 0.56 0.96 0.23 0.00 1.31 0.00 0.00 55.95 59.01 2pku s SER 77 Cb -0.33 -2.36 0.27 0.00 0.21 0.00 0.00 66.02 63.82 2pku s SER 77 CO 0.42 -0.17 1.29 2.30 0.41 0.00 0.00 173.24 177.49 2pku n ILE 78 N 4.17 0.21 -1.78 1.44 -6.64 -1.26 -4.85 119.36 110.65 2pku n ILE 78 Ca -0.02 -0.60 -0.20 0.00 -1.77 0.00 0.00 62.75 60.16 2pku n ILE 78 Cb 0.51 1.28 -0.09 0.00 -1.44 0.00 0.00 39.64 39.90 2pku n ILE 78 CO 0.00 0.00 0.00 -0.54 -1.77 0.00 0.00 176.55 174.24 2pku s LYS 79 N -1.72 1.73 0.00 6.28 1.02 -1.26 -2.44 119.74 123.35 2pku s LYS 79 Ca 0.31 -0.53 0.00 0.00 0.02 0.00 0.00 55.97 55.77 2pku s LYS 79 Cb 0.20 -5.04 0.00 0.00 -0.52 0.00 0.00 37.83 32.47 2pku s LYS 79 CO 0.29 -4.76 0.00 0.41 -0.92 0.00 0.00 175.35 170.38 2pku n GLY 80 N 6.18 0.62 3.10 -3.33 0.00 -1.26 -5.08 105.19 105.42 2pku n GLY 80 Ca 0.43 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.33 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 0.00 0.63 0.66 1.61 1.02 -1.02 -5.06 119.74 117.58 2pku s LYS 81 Ca 0.00 -0.98 -0.10 0.00 0.02 0.00 0.00 55.97 54.91 2pku s LYS 81 Cb 0.00 -0.22 0.00 0.00 -0.52 0.00 0.00 37.83 37.09 2pku s LYS 81 CO 0.00 0.01 1.03 0.99 -0.92 0.00 0.00 175.35 176.47 2pku s THR 82 N -2.30 3.76 0.31 2.17 2.01 -1.26 -4.68 115.64 115.65 2pku s THR 82 Ca -0.02 0.43 0.01 0.00 0.31 0.00 0.00 61.69 62.43 2pku s THR 82 Cb -0.04 -3.55 0.28 0.00 0.01 0.00 0.00 72.50 69.21 2pku s THR 82 CO -0.02 -0.68 1.92 0.07 -0.69 0.00 0.00 174.62 175.22 2pku h LYS 83 N -0.47 0.96 -0.21 4.92 2.10 -1.67 -0.13 116.57 122.07 2pku h LYS 83 Ca -0.45 -0.06 -0.15 0.00 -2.00 0.00 0.00 60.65 57.99 2pku h LYS 83 Cb 1.24 -0.22 -0.01 0.00 -0.90 0.00 0.00 32.23 32.35 2pku h LYS 83 CO 0.63 0.64 -0.49 -0.39 -2.00 0.00 0.00 179.45 177.83 2pku h VAL 84 N 0.99 1.31 0.11 0.07 -1.51 -1.91 -1.18 116.25 114.13 2pku h VAL 84 Ca 0.37 -1.71 -0.01 0.00 -1.23 0.00 0.00 66.70 64.13 2pku h VAL 84 Cb 0.19 1.68 0.00 0.00 -2.13 0.00 0.00 31.29 31.03 2pku h VAL 84 CO -0.13 0.53 -0.05 -0.33 -1.23 0.00 0.00 177.57 176.36 2pku h GLU 85 N 0.45 -0.14 0.20 5.19 4.39 -1.66 -2.33 114.58 120.69 2pku h GLU 85 Ca 0.02 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 2pku h GLU 85 Cb 1.02 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 2pku h GLU 85 CO 0.09 0.23 -0.10 0.28 -1.16 0.00 0.00 179.01 178.36 2pku h VAL 86 N -0.54 0.84 -0.45 3.13 2.07 -1.10 -1.51 116.25 118.69 2pku h VAL 86 Ca -0.01 -0.23 0.09 0.00 0.82 0.00 0.00 66.70 67.37 2pku h VAL 86 Cb 0.44 0.98 -0.09 0.00 -1.52 0.00 0.00 31.29 31.10 2pku h VAL 86 CO 0.02 0.05 -0.18 0.00 0.02 0.00 0.00 177.57 177.49 2pku h ALA 87 N 0.39 0.18 -0.17 1.67 0.00 -1.29 0.14 119.26 120.18 2pku h ALA 87 Ca -0.03 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2pku h ALA 87 Cb 0.30 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2pku h ALA 87 CO 0.05 -0.52 -0.03 0.87 0.00 0.00 0.00 179.25 179.62 2pku h LYS 88 N -0.08 0.24 -0.55 0.00 6.56 -1.35 -2.02 116.57 119.37 2pku h LYS 88 Ca 0.22 -0.04 -0.04 0.00 -1.06 0.00 0.00 60.65 59.73 2pku h LYS 88 Cb 0.42 -0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 32.01 2pku h LYS 88 CO -0.50 0.29 0.17 1.98 -2.06 0.00 0.00 179.45 179.32 2pku h MET 89 N 0.24 0.82 0.23 3.15 4.05 0.33 -1.40 114.93 122.34 2pku h MET 89 Ca 0.06 -0.15 -0.01 0.00 -0.28 0.00 0.00 59.70 59.32 2pku h MET 89 Cb 0.21 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 2pku h MET 89 CO 0.01 0.71 -0.11 0.82 0.23 0.00 0.00 176.91 178.57 2pku h ILE 90 N 0.80 0.59 -0.45 1.77 1.08 -0.62 -2.33 117.51 118.35 2pku h ILE 90 Ca 0.18 -0.97 0.13 0.00 -0.39 0.00 0.00 64.86 63.81 2pku h ILE 90 Cb 0.24 0.99 -0.02 0.00 -3.07 0.00 0.00 36.82 34.96 2pku h ILE 90 CO -0.01 0.15 0.38 1.56 -0.69 0.00 0.00 178.15 179.54 2pku h GLN 91 N -0.94 0.00 0.11 2.37 4.20 -1.42 -2.28 115.11 117.15 2pku h GLN 91 Ca -0.03 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 2pku h GLN 91 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 2pku h GLN 91 CO 0.05 0.00 -0.05 0.93 -0.67 0.00 0.00 178.83 179.09 2pku h GLU 92 N 0.00 -0.14 -6.96 1.46 4.39 -1.26 -3.45 114.58 108.62 2pku h GLU 92 Ca 0.21 0.01 -0.54 0.00 0.34 0.00 0.00 59.36 59.38 2pku h GLU 92 Cb 0.97 0.03 0.11 0.00 -0.10 0.00 0.00 28.75 29.76 2pku h GLU 92 CO -0.00 0.30 0.74 0.54 -1.16 0.00 0.00 179.01 179.43 2pku s VAL 93 N -2.81 2.12 0.23 3.13 0.11 -0.86 -5.02 120.40 117.30 2pku s VAL 93 Ca -0.11 0.12 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 2pku s VAL 93 Cb -0.00 -3.07 -0.00 0.00 -1.53 0.00 0.00 36.38 31.77 2pku s VAL 93 CO 0.41 0.02 0.03 0.29 -3.33 0.00 0.00 175.10 172.52 2pku n LYS 94 N 0.25 1.18 0.00 1.54 5.02 -1.26 -4.91 118.16 119.98 2pku n LYS 94 Ca 0.02 -1.74 0.00 0.00 -2.02 0.00 0.00 58.31 54.57 2pku n LYS 94 Cb 0.40 0.63 0.00 0.00 -0.02 0.00 0.00 35.03 36.05 2pku n LYS 94 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pku n GLY 95 N 1.63 -1.20 3.55 0.72 0.00 -1.26 -4.48 105.19 104.15 2pku n GLY 95 Ca -0.08 -1.14 -0.33 0.00 0.00 0.00 0.00 46.02 44.48 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 2.22 0.60 1.61 1.03 -1.26 -3.78 118.70 119.11 2pku s GLU 96 Ca 0.00 0.88 -0.13 0.00 0.03 0.00 0.00 54.97 55.74 2pku s GLU 96 Cb 0.00 -4.60 -0.04 0.00 -0.80 0.00 0.00 34.13 28.69 2pku s GLU 96 CO 0.00 -3.31 1.03 0.08 -1.33 0.00 0.00 175.26 171.73 2pku s VAL 97 N 11.49 4.39 -0.25 1.83 1.01 0.28 -4.81 120.40 134.34 2pku s VAL 97 Ca 0.85 0.94 -0.03 0.00 0.00 0.00 0.00 61.98 63.74 2pku s VAL 97 Cb -0.14 -3.66 0.08 0.00 0.00 0.00 0.00 36.38 32.66 2pku s VAL 97 CO 0.19 -0.86 0.08 -0.89 0.00 0.00 0.00 175.10 173.62 2pku s THR 98 N -2.88 0.47 -0.25 3.92 2.01 -1.26 0.10 115.64 117.75 2pku s THR 98 Ca 0.58 -0.82 -0.14 0.00 0.31 0.00 0.00 61.69 61.61 2pku s THR 98 Cb -0.12 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.17 2pku s THR 98 CO 0.45 -0.46 0.35 -0.63 -0.69 0.00 0.00 174.62 173.64 2pku s ILE 99 N 1.85 5.20 -0.65 1.82 1.09 -0.50 0.83 121.20 130.86 2pku s ILE 99 Ca 0.04 0.55 -0.23 0.00 -1.10 0.00 0.00 60.65 59.91 2pku s ILE 99 Cb -0.17 -3.68 0.07 0.00 -1.06 0.00 0.00 42.46 37.62 2pku s ILE 99 CO -0.19 0.20 0.95 -1.00 -0.10 0.00 0.00 174.94 174.81 2pku s HIS 100 N 1.77 2.69 0.26 3.97 3.76 0.93 -2.04 115.29 126.63 2pku s HIS 100 Ca 0.15 -0.52 0.08 0.00 -0.15 0.00 0.00 55.06 54.61 2pku s HIS 100 Cb -0.15 -4.26 -0.04 0.00 1.11 0.00 0.00 32.58 29.24 2pku s HIS 100 CO 0.09 -1.61 0.14 1.52 -0.85 0.00 0.00 174.74 174.03 2pku s TYR 101 N 4.01 2.98 -0.17 1.40 -0.85 0.17 -0.68 117.35 124.20 2pku s TYR 101 Ca 0.22 -0.16 0.01 0.00 -0.52 0.00 0.00 57.07 56.62 2pku s TYR 101 Cb -0.17 -1.37 0.02 0.00 0.38 0.00 0.00 41.96 40.82 2pku s TYR 101 CO 0.11 0.53 -0.18 -0.80 -1.52 0.00 0.00 175.55 173.69 2pku s ASN 102 N -3.80 3.03 -0.28 -0.18 0.01 0.81 0.21 114.94 114.73 2pku s ASN 102 Ca 0.33 -0.62 -0.29 0.00 -0.71 0.00 0.00 52.86 51.57 2pku s ASN 102 Cb -0.07 -1.39 0.01 0.00 0.41 0.00 0.00 41.25 40.21 2pku s ASN 102 CO 0.24 -0.02 1.10 -0.54 -1.51 0.00 0.00 177.10 176.36 2pku s LYS 103 N 1.35 4.11 0.00 -0.60 1.02 -1.15 -1.32 119.74 123.15 2pku s LYS 103 Ca 0.05 1.20 0.17 0.00 0.02 0.00 0.00 55.97 57.41 2pku s LYS 103 Cb -0.13 -3.73 0.14 0.00 -0.52 0.00 0.00 37.83 33.59 2pku s LYS 103 CO -0.12 -0.85 1.05 1.28 -0.92 0.00 0.00 175.35 175.79