#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pku n VAL 19 N 0.00 1.62 -1.59 2.28 0.31 -0.59 -4.92 118.33 115.44 2pku n VAL 19 Ca 0.00 -4.86 -0.44 0.00 -0.01 0.00 0.00 64.34 59.03 2pku n VAL 19 Cb 0.00 -2.16 -0.04 0.00 -0.91 0.00 0.00 33.84 30.73 2pku n VAL 19 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2pku n PRO 20 N 1.87 1.97 -3.87 5.55 -0.02 -1.26 -2.97 135.00 136.27 2pku n PRO 20 Ca 0.21 0.58 -0.11 0.00 -2.02 0.00 0.00 63.50 62.15 2pku n PRO 20 Cb 0.36 -3.08 -0.12 0.00 -0.02 0.00 0.00 33.50 30.64 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 7.55 0.00 -0.17 -1.23 0.00 -0.09 -5.02 107.32 108.36 2pku s GLY 21 Ca 1.00 0.04 -0.01 0.00 0.00 0.00 0.00 44.72 45.76 2pku s GLY 21 CO 0.39 -0.03 -0.05 -1.59 0.00 0.00 0.00 173.10 171.82 2pku s LYS 22 N -0.58 1.39 0.07 2.90 0.00 -1.26 0.04 119.74 122.30 2pku s LYS 22 Ca -0.07 -0.54 0.01 0.00 0.00 0.00 0.00 55.97 55.38 2pku s LYS 22 Cb -0.04 -2.04 -0.04 0.00 0.00 0.00 0.00 37.83 35.71 2pku s LYS 22 CO 0.00 -0.45 0.15 0.54 0.00 0.00 0.00 175.35 175.59 2pku s VAL 23 N 1.63 4.99 -0.76 1.79 0.11 -0.65 -4.88 120.40 122.63 2pku s VAL 23 Ca 0.00 -0.58 -0.05 0.00 -2.93 0.00 0.00 61.98 58.42 2pku s VAL 23 Cb -0.16 -3.43 0.19 0.00 -1.53 0.00 0.00 36.38 31.46 2pku s VAL 23 CO -0.08 0.12 0.63 -0.89 -3.33 0.00 0.00 175.10 171.55 2pku s THR 24 N -1.47 4.39 0.01 5.04 2.01 -1.26 -0.43 115.64 123.93 2pku s THR 24 Ca 0.32 -3.11 -0.12 0.00 0.31 0.00 0.00 61.69 59.09 2pku s THR 24 Cb -0.13 -3.77 -0.05 0.00 0.01 0.00 0.00 72.50 68.56 2pku s THR 24 CO 0.25 -0.98 0.37 -0.76 -0.69 0.00 0.00 174.62 172.82 2pku s LEU 25 N -0.40 4.43 0.63 4.42 1.43 0.25 -4.75 118.68 124.69 2pku s LEU 25 Ca 0.20 0.85 -0.03 0.00 -1.03 0.00 0.00 54.13 54.13 2pku s LEU 25 Cb -0.14 -2.63 0.05 0.00 0.03 0.00 0.00 46.19 43.50 2pku s LEU 25 CO -0.07 0.30 0.89 -1.10 0.23 0.00 0.00 176.35 176.60 2pku s GLN 26 N -1.30 2.36 0.51 1.70 1.11 -1.26 0.79 119.66 123.57 2pku s GLN 26 Ca 0.25 -0.54 -0.03 0.00 0.01 0.00 0.00 55.36 55.06 2pku s GLN 26 Cb -0.15 -2.33 -0.00 0.00 -1.01 0.00 0.00 33.01 29.51 2pku s GLN 26 CO 0.13 -0.98 0.77 0.15 0.01 0.00 0.00 175.29 175.38 2pku s LYS 27 N -5.00 3.08 0.05 2.91 -0.14 -1.14 -4.45 119.74 115.05 2pku s LYS 27 Ca 0.59 -0.21 0.01 0.00 -1.36 0.00 0.00 55.97 54.99 2pku s LYS 27 Cb -0.10 -2.43 0.01 0.00 -1.68 0.00 0.00 37.83 33.63 2pku s LYS 27 CO 0.41 -0.42 0.06 -0.40 -0.76 0.00 0.00 175.35 174.25 2pku n ASP 28 N -2.29 0.16 0.11 2.83 5.68 -1.20 -4.84 116.55 117.00 2pku n ASP 28 Ca 0.02 -1.12 0.15 0.00 -0.50 0.00 0.00 54.79 53.35 2pku n ASP 28 Cb 0.57 -0.03 0.67 0.00 -1.14 0.00 0.00 41.12 41.19 2pku n ASP 28 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2pku h ALA 29 N 0.41 2.28 -0.45 2.12 0.00 -1.99 0.16 119.26 121.79 2pku h ALA 29 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2pku h ALA 29 Cb 0.10 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2pku h ALA 29 CO 0.03 -0.37 0.00 1.04 0.00 0.00 0.00 179.25 179.95 2pku n GLN 30 N -4.45 3.84 -3.88 0.00 1.13 -1.26 -4.90 117.38 107.85 2pku n GLN 30 Ca 0.04 -2.37 -0.29 0.00 -1.94 0.00 0.00 57.00 52.44 2pku n GLN 30 Cb 0.38 -2.03 0.03 0.00 0.11 0.00 0.00 30.24 28.72 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 0.53 -4.13 -3.64 1.08 5.15 0.55 -4.97 115.26 109.84 2pku n ASN 31 Ca 0.21 -0.79 -0.23 0.00 -0.60 0.00 0.00 54.58 53.17 2pku n ASN 31 Cb 0.93 -3.89 -0.17 0.00 -0.53 0.00 0.00 39.78 36.12 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 -7.18 0.22 0.53 1.20 1.43 -1.26 -4.78 118.68 108.84 2pku s LEU 32 Ca 0.55 -0.24 0.18 0.00 -1.03 0.00 0.00 54.13 53.59 2pku s LEU 32 Cb -0.27 -0.16 1.35 0.00 0.03 0.00 0.00 46.19 47.13 2pku s LEU 32 CO 0.83 -0.30 2.15 0.16 0.23 0.00 0.00 176.35 179.42 2pku h ILE 33 N 6.43 0.92 -1.56 -0.59 3.07 -1.91 -3.18 117.51 120.68 2pku h ILE 33 Ca -0.14 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.27 2pku h ILE 33 Cb 1.13 0.98 0.00 0.00 -0.27 0.00 0.00 36.82 38.67 2pku h ILE 33 CO 0.22 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.93 2pku n GLY 34 N -1.52 -0.52 3.64 0.16 0.00 -1.26 -2.33 105.19 103.36 2pku n GLY 34 Ca -0.02 -0.41 -0.07 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.36 0.00 -0.12 -0.61 -4.36 -1.26 -4.30 121.20 110.19 2pku s ILE 35 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 60.65 60.33 2pku s ILE 35 Cb 0.00 -1.00 -0.04 0.00 1.25 0.00 0.00 42.46 42.67 2pku s ILE 35 CO 0.00 0.00 0.10 -0.44 0.24 0.00 0.00 174.94 174.84 2pku s SER 36 N 0.72 6.05 0.30 4.36 0.01 -0.71 -5.04 113.70 119.39 2pku s SER 36 Ca -0.02 0.36 0.08 0.00 1.31 0.00 0.00 55.95 57.68 2pku s SER 36 Cb -0.05 -1.91 -0.06 0.00 0.21 0.00 0.00 66.02 64.21 2pku s SER 36 CO -0.10 0.38 -0.08 0.27 0.41 0.00 0.00 173.24 174.13 2pku s ILE 37 N -0.89 1.86 -0.07 1.44 -4.36 -1.26 -1.61 121.20 116.30 2pku s ILE 37 Ca 0.14 -2.16 -0.03 0.00 -0.26 0.00 0.00 60.65 58.33 2pku s ILE 37 Cb -0.12 -2.49 0.04 0.00 1.25 0.00 0.00 42.46 41.15 2pku s ILE 37 CO 0.03 -0.29 0.14 -0.83 0.24 0.00 0.00 174.94 174.24 2pku s GLY 38 N -3.49 0.04 -0.11 6.27 0.00 0.12 -4.83 107.32 105.33 2pku s GLY 38 Ca 0.30 0.56 -0.31 0.00 0.00 0.00 0.00 44.72 45.27 2pku s GLY 38 CO 0.13 1.42 1.02 -0.32 0.00 0.00 0.00 173.10 175.35 2pku s GLY 39 N 1.92 -0.34 0.00 0.20 0.00 -1.26 -1.86 107.32 105.98 2pku s GLY 39 Ca -0.01 1.54 0.00 0.00 0.00 0.00 0.00 44.72 46.26 2pku s GLY 39 CO -0.05 0.63 0.00 0.61 0.00 0.00 0.00 173.10 174.28 2pku n GLY 40 N 0.12 1.55 3.57 0.20 0.00 0.25 -3.39 105.19 107.48 2pku n GLY 40 Ca -0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.31 -1.86 0.00 4.61 0.00 -0.90 -3.90 121.76 117.40 2pku s ALA 41 Ca 0.00 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.54 2pku s ALA 41 Cb 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.53 2pku s ALA 41 CO 0.00 -0.33 0.00 1.04 0.00 0.00 0.00 175.76 176.47 2pku n GLN 42 N 1.24 0.00 0.09 0.00 1.13 -1.26 -2.93 117.38 115.64 2pku n GLN 42 Ca -0.14 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.79 2pku n GLN 42 Cb 0.57 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.84 2pku n GLN 42 CO 0.00 0.00 0.00 1.88 -1.44 0.00 0.00 177.06 177.50 2pku h TYR 43 N 0.00 0.45 -2.12 1.08 -1.99 -2.02 -3.37 116.97 108.99 2pku h TYR 43 Ca 0.00 -0.28 -0.53 0.00 2.00 0.00 0.00 58.73 59.92 2pku h TYR 43 Cb 0.00 -0.04 -0.41 0.00 2.00 0.00 0.00 36.73 38.29 2pku h TYR 43 CO 0.00 1.15 -0.95 0.00 -0.00 0.00 0.00 178.16 178.36 2pku n PRO 45 N 0.15 0.22 -2.54 0.00 -0.04 -1.26 0.86 135.00 132.38 2pku n PRO 45 Ca 0.27 0.09 -0.42 0.00 -0.04 0.00 0.00 63.50 63.40 2pku n PRO 45 Cb 0.54 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 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 1.58 3.37 0.28 0.00 2.01 -1.26 -4.26 118.68 120.41 2pku s LEU 47 Ca 0.55 0.01 -0.06 0.00 0.01 0.00 0.00 54.13 54.64 2pku s LEU 47 Cb -0.24 -1.82 -0.01 0.00 0.01 0.00 0.00 46.19 44.13 2pku s LEU 47 CO 0.25 0.34 0.42 -0.72 1.01 0.00 0.00 176.35 177.64 2pku s TYR 48 N -0.92 0.80 0.24 0.29 1.13 -0.78 -4.04 117.35 114.07 2pku s TYR 48 Ca 0.15 -1.09 -0.05 0.00 -1.41 0.00 0.00 57.07 54.67 2pku s TYR 48 Cb -0.11 -0.05 -0.06 0.00 -1.10 0.00 0.00 41.96 40.64 2pku s TYR 48 CO 0.05 -1.00 0.50 0.42 -2.51 0.00 0.00 175.55 173.00 2pku s ILE 49 N -3.60 5.06 -0.04 -3.49 1.01 -1.23 0.15 121.20 119.06 2pku s ILE 49 Ca 0.29 0.08 -0.01 0.00 0.00 0.00 0.00 60.65 61.01 2pku s ILE 49 Cb 0.01 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.77 2pku s ILE 49 CO 0.15 -0.18 -0.04 1.33 0.00 0.00 0.00 174.94 176.20 2pku n VAL 50 N -0.53 0.20 -3.92 2.92 0.24 -0.63 -4.53 118.33 112.07 2pku n VAL 50 Ca -0.02 -0.06 -0.00 0.00 -2.04 0.00 0.00 64.34 62.22 2pku n VAL 50 Cb 0.53 -1.16 0.02 0.00 -1.47 0.00 0.00 33.84 31.76 2pku n VAL 50 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2pku n GLN 51 N -2.93 0.39 -4.39 7.34 10.64 -1.25 -4.22 117.38 122.95 2pku n GLN 51 Ca -0.07 -1.04 -0.20 0.00 -1.83 0.00 0.00 57.00 53.87 2pku n GLN 51 Cb 0.56 1.51 -0.10 0.00 -0.86 0.00 0.00 30.24 31.34 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 -2.07 1.40 0.20 -0.39 1.01 -1.26 -1.74 120.40 117.55 2pku s VAL 52 Ca 0.24 -2.08 0.05 0.00 0.00 0.00 0.00 61.98 60.19 2pku s VAL 52 Cb -0.02 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 2pku s VAL 52 CO 0.02 -0.30 0.20 -0.36 0.00 0.00 0.00 175.10 174.66 2pku s PHE 53 N -3.17 3.20 0.52 5.22 0.40 -1.26 -4.99 117.98 117.90 2pku s PHE 53 Ca 0.29 -0.04 -0.17 0.00 -0.60 0.00 0.00 56.93 56.41 2pku s PHE 53 Cb 0.05 -1.49 -0.07 0.00 0.51 0.00 0.00 43.02 42.01 2pku s PHE 53 CO 0.11 0.51 1.00 0.34 0.70 0.00 0.00 175.22 177.88 2pku s ASP 54 N -3.48 6.43 -1.67 1.36 -1.08 -1.26 -3.69 116.67 113.29 2pku s ASP 54 Ca 0.32 1.68 0.00 0.00 -0.52 0.00 0.00 52.55 54.03 2pku s ASP 54 Cb -0.09 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.84 2pku s ASP 54 CO 0.25 -0.72 0.00 0.59 0.52 0.00 0.00 175.17 175.81 2pku n ASN 55 N -1.52 -5.15 -4.74 -0.34 3.02 -1.26 -5.00 115.26 100.28 2pku n ASN 55 Ca 0.07 0.19 -0.31 0.00 -0.03 0.00 0.00 54.58 54.50 2pku n ASN 55 Cb 0.54 -4.22 -0.07 0.00 -0.61 0.00 0.00 39.78 35.42 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 -2.78 4.41 0.51 3.41 -4.23 -1.24 -4.98 115.64 110.74 2pku s THR 56 Ca 0.00 -0.70 0.21 0.00 -1.18 0.00 0.00 61.69 60.02 2pku s THR 56 Cb 0.00 -3.07 0.35 0.00 1.34 0.00 0.00 72.50 71.12 2pku s THR 56 CO 0.00 0.22 2.04 1.55 -0.54 0.00 0.00 174.62 177.89 2pku h PRO 57 N 3.69 0.06 -0.06 3.99 0.13 -1.85 0.51 132.00 138.47 2pku h PRO 57 Ca -0.48 -0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.45 2pku h PRO 57 Cb 1.17 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 2pku h PRO 57 CO 0.62 0.04 -0.79 0.00 -0.23 0.00 0.00 178.00 177.64 2pku h ALA 58 N 1.81 0.52 0.00 -0.56 0.00 -1.70 -1.97 119.26 117.37 2pku h ALA 58 Ca 0.17 -0.64 -0.21 0.00 0.00 0.00 0.00 54.91 54.23 2pku h ALA 58 Cb 0.61 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2pku h ALA 58 CO -0.01 0.78 -1.20 0.00 0.00 0.00 0.00 179.25 178.82 2pku h ALA 59 N 0.88 0.58 -0.03 0.00 0.00 -1.41 -2.77 119.26 116.49 2pku h ALA 59 Ca -0.04 -0.99 -0.21 0.00 0.00 0.00 0.00 54.91 53.66 2pku h ALA 59 Cb 1.39 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 2pku h ALA 59 CO 0.14 1.19 -0.86 -0.07 0.00 0.00 0.00 179.25 179.66 2pku h LEU 60 N 0.00 0.52 0.00 0.00 3.38 -0.07 -3.32 115.31 115.82 2pku h LEU 60 Ca -0.12 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.46 2pku h LEU 60 Cb 1.75 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.34 2pku h LEU 60 CO 0.09 1.16 -0.01 0.44 0.09 0.00 0.00 178.44 180.21 2pku h ASP 61 N 0.26 0.01 -1.24 -0.43 5.19 -1.46 -3.50 116.42 115.25 2pku h ASP 61 Ca -0.06 -0.83 0.00 0.00 -0.62 0.00 0.00 57.03 55.52 2pku h ASP 61 Cb 1.47 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.98 2pku h ASP 61 CO 0.15 0.84 0.00 0.61 -3.12 0.00 0.00 179.24 177.72 2pku n GLY 62 N 1.16 -0.89 2.05 2.75 0.00 -1.05 -5.08 105.19 104.14 2pku n GLY 62 Ca -0.10 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.06 0.00 -3.40 2.61 -1.04 -1.25 -5.10 114.28 106.03 2pku n THR 63 Ca 0.00 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.63 2pku n THR 63 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 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 -1.50 5.11 -0.00 12.58 -7.23 -1.26 -5.04 120.40 123.06 2pku s VAL 64 Ca 0.00 0.89 -0.12 0.00 -1.81 0.00 0.00 61.98 60.94 2pku s VAL 64 Cb 0.00 -3.76 0.04 0.00 0.56 0.00 0.00 36.38 33.22 2pku s VAL 64 CO 0.00 0.44 0.56 0.00 -0.31 0.00 0.00 175.10 175.79 2pku n ALA 65 N 2.83 -1.56 -1.68 1.32 0.00 -1.26 -4.75 120.51 115.40 2pku n ALA 65 Ca -0.10 -0.36 -0.38 0.00 0.00 0.00 0.00 53.44 52.59 2pku n ALA 65 Cb 0.52 0.08 0.05 0.00 0.00 0.00 0.00 19.45 20.10 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 -2.08 0.82 0.00 0.00 0.00 -1.26 -2.92 120.51 115.07 2pku n ALA 66 Ca -0.05 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2pku n ALA 66 Cb 0.26 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.48 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 1.04 2.88 3.94 0.00 0.00 -1.26 -5.01 105.19 106.78 2pku n GLY 67 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 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 0.75 5.48 -0.24 1.61 1.11 -1.15 -4.16 116.67 120.08 2pku s ASP 68 Ca 0.00 0.45 0.00 0.00 0.18 0.00 0.00 52.55 53.18 2pku s ASP 68 Cb 0.00 -1.43 0.06 0.00 1.07 0.00 0.00 42.92 42.62 2pku s ASP 68 CO 0.00 -1.07 -0.02 -0.70 1.18 0.00 0.00 175.17 174.56 2pku s GLU 69 N -4.88 1.38 0.41 8.23 2.12 -0.41 -3.57 118.70 121.98 2pku s GLU 69 Ca 0.54 -0.93 -0.25 0.00 0.36 0.00 0.00 54.97 54.69 2pku s GLU 69 Cb -0.10 -2.49 -0.08 0.00 0.26 0.00 0.00 34.13 31.71 2pku s GLU 69 CO 0.42 -0.65 1.17 -1.50 -0.54 0.00 0.00 175.26 174.17 2pku s ILE 70 N 1.47 3.12 0.00 -3.70 2.07 -1.26 -0.82 121.20 122.09 2pku s ILE 70 Ca -0.03 0.92 0.06 0.00 -1.41 0.00 0.00 60.65 60.19 2pku s ILE 70 Cb -0.18 -3.51 0.10 0.00 0.13 0.00 0.00 42.46 39.00 2pku s ILE 70 CO -0.08 0.07 0.96 1.07 -1.91 0.00 0.00 174.94 175.05 2pku n THR 71 N -0.04 0.00 0.00 4.00 5.66 0.15 -4.50 114.28 119.55 2pku n THR 71 Ca 0.05 -0.24 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 2pku n THR 71 Cb 0.47 0.54 0.00 0.00 -1.55 0.00 0.00 70.33 69.78 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 0.12 1.04 3.55 1.09 0.00 -1.23 -3.95 105.19 105.81 2pku n GLY 72 Ca -0.13 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.97 -1.77 1.61 0.11 -0.10 -1.35 120.40 115.92 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 5.43 -5.81 0.00 3.54 4.13 0.73 -1.29 115.26 121.99 2pku n ASN 74 Ca -0.10 0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.18 2pku n ASN 74 Cb 0.50 -4.85 0.00 0.00 -1.54 0.00 0.00 39.78 33.88 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 -0.98 3.01 3.78 7.41 0.00 -1.26 -4.99 105.19 112.16 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 -0.16 2.10 -0.13 1.61 1.81 -0.41 -5.04 118.95 118.72 2pku s ARG 76 Ca 0.00 0.85 -0.07 0.00 -1.72 0.00 0.00 55.73 54.79 2pku s ARG 76 Cb 0.00 -1.90 -0.04 0.00 -0.45 0.00 0.00 34.95 32.56 2pku s ARG 76 CO 0.00 -1.66 0.12 0.45 -0.68 0.00 0.00 175.30 173.52 2pku s SER 77 N -3.66 6.18 -0.01 0.23 0.15 -1.26 -0.93 113.70 114.40 2pku s SER 77 Ca 0.61 0.38 0.08 0.00 0.70 0.00 0.00 55.95 57.72 2pku s SER 77 Cb -0.16 -1.99 -0.12 0.00 -1.71 0.00 0.00 66.02 62.03 2pku s SER 77 CO 0.55 0.36 0.20 2.30 1.20 0.00 0.00 173.24 177.85 2pku n ILE 78 N 2.30 0.00 -1.65 6.45 -6.64 -1.25 -4.89 119.36 113.68 2pku n ILE 78 Ca -0.19 -0.20 -0.16 0.00 -1.77 0.00 0.00 62.75 60.43 2pku n ILE 78 Cb 0.54 0.38 -0.10 0.00 -1.44 0.00 0.00 39.64 39.03 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 -2.49 1.44 0.00 6.28 1.02 -1.26 -1.40 119.74 123.33 2pku s LYS 79 Ca -0.02 -0.23 0.00 0.00 0.02 0.00 0.00 55.97 55.73 2pku s LYS 79 Cb 0.05 -4.95 0.00 0.00 -0.52 0.00 0.00 37.83 32.41 2pku s LYS 79 CO 0.34 -5.03 0.00 0.41 -0.92 0.00 0.00 175.35 170.15 2pku n GLY 80 N 6.33 0.63 3.95 -3.33 0.00 -1.14 -5.00 105.19 106.64 2pku n GLY 80 Ca 0.43 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.17 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 0.68 0.36 1.61 1.02 -0.49 -4.83 119.74 118.09 2pku s LYS 81 Ca 0.00 -0.67 0.04 0.00 0.02 0.00 0.00 55.97 55.36 2pku s LYS 81 Cb 0.00 -1.95 -0.01 0.00 -0.52 0.00 0.00 37.83 35.35 2pku s LYS 81 CO 0.00 -2.32 0.53 0.99 -0.92 0.00 0.00 175.35 173.63 2pku s THR 82 N -3.76 4.14 0.40 2.17 2.01 -1.26 -4.71 115.64 114.64 2pku s THR 82 Ca 0.74 -0.83 0.10 0.00 0.31 0.00 0.00 61.69 62.01 2pku s THR 82 Cb -0.03 -3.47 0.31 0.00 0.01 0.00 0.00 72.50 69.32 2pku s THR 82 CO 0.52 -0.23 1.97 0.07 -0.69 0.00 0.00 174.62 176.26 2pku h LYS 83 N 0.75 0.55 -0.15 4.92 2.10 -1.67 -0.43 116.57 122.64 2pku h LYS 83 Ca -0.46 -0.03 -0.22 0.00 -2.00 0.00 0.00 60.65 57.93 2pku h LYS 83 Cb 1.25 -0.12 0.01 0.00 -0.90 0.00 0.00 32.23 32.47 2pku h LYS 83 CO 0.55 0.36 -0.77 -0.24 -2.00 0.00 0.00 179.45 177.35 2pku h VAL 84 N 0.56 1.28 0.15 0.07 3.04 -1.92 -2.24 116.25 117.19 2pku h VAL 84 Ca 0.29 -1.97 -0.01 0.00 -1.01 0.00 0.00 66.70 64.00 2pku h VAL 84 Cb 0.39 1.99 0.00 0.00 -2.01 0.00 0.00 31.29 31.66 2pku h VAL 84 CO -0.09 0.62 -0.07 -0.33 -1.01 0.00 0.00 177.57 176.69 2pku h GLU 85 N 0.53 -0.19 -0.28 4.17 4.39 -1.69 -2.04 114.58 119.47 2pku h GLU 85 Ca -0.05 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.67 2pku h GLU 85 Cb 1.41 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 30.08 2pku h GLU 85 CO 0.16 0.03 0.15 0.28 -1.16 0.00 0.00 179.01 178.47 2pku h VAL 86 N -0.39 1.01 -0.97 3.13 2.07 -1.20 -1.55 116.25 118.35 2pku h VAL 86 Ca -0.02 -0.10 0.11 0.00 0.82 0.00 0.00 66.70 67.51 2pku h VAL 86 Cb 0.31 0.67 -0.08 0.00 -1.52 0.00 0.00 31.29 30.67 2pku h VAL 86 CO 0.03 0.06 0.60 0.00 0.02 0.00 0.00 177.57 178.28 2pku h ALA 87 N 1.13 1.44 -0.07 1.67 0.00 -1.36 0.11 119.26 122.18 2pku h ALA 87 Ca 0.11 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 2pku h ALA 87 Cb 0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2pku h ALA 87 CO -0.07 0.21 -0.44 0.87 0.00 0.00 0.00 179.25 179.83 2pku h LYS 88 N 0.96 0.17 -0.31 0.00 1.57 -0.84 -2.39 116.57 115.72 2pku h LYS 88 Ca 0.48 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 59.13 2pku h LYS 88 Cb 0.45 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 2pku h LYS 88 CO -0.26 0.58 0.01 1.98 -0.57 0.00 0.00 179.45 181.19 2pku h MET 89 N 0.14 0.54 -0.24 3.15 4.05 -0.01 -0.22 114.93 122.34 2pku h MET 89 Ca 0.01 -0.17 -0.03 0.00 -0.28 0.00 0.00 59.70 59.23 2pku h MET 89 Cb 0.83 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.57 2pku h MET 89 CO 0.06 0.67 0.04 0.82 0.23 0.00 0.00 176.91 178.74 2pku h ILE 90 N 0.34 1.23 -0.03 1.77 1.08 -1.25 -2.11 117.51 118.54 2pku h ILE 90 Ca 0.09 -0.76 -0.05 0.00 -0.39 0.00 0.00 64.86 63.75 2pku h ILE 90 Cb 0.42 1.26 -0.01 0.00 -3.07 0.00 0.00 36.82 35.43 2pku h ILE 90 CO 0.01 0.24 -0.21 1.56 -0.69 0.00 0.00 178.15 179.07 2pku h GLN 91 N 0.21 0.05 -0.34 2.37 4.20 -1.40 -2.70 115.11 117.50 2pku h GLN 91 Ca 0.07 -0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.66 2pku h GLN 91 Cb 0.32 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 2pku h GLN 91 CO 0.00 0.26 -0.24 0.93 -0.67 0.00 0.00 178.83 179.11 2pku h GLU 92 N 0.04 0.77 -7.07 1.46 4.39 -0.74 -3.44 114.58 109.98 2pku h GLU 92 Ca 0.01 -0.37 -0.56 0.00 0.34 0.00 0.00 59.36 58.78 2pku h GLU 92 Cb 0.40 -0.01 0.15 0.00 -0.10 0.00 0.00 28.75 29.19 2pku h GLU 92 CO 0.03 0.99 0.56 0.28 -1.16 0.00 0.00 179.01 179.70 2pku n VAL 93 N -4.25 4.37 -4.67 3.13 0.31 -0.82 -5.03 118.33 111.36 2pku n VAL 93 Ca -0.03 -0.50 -0.23 0.00 -0.01 0.00 0.00 64.34 63.57 2pku n VAL 93 Cb 0.45 -1.58 -0.15 0.00 -0.91 0.00 0.00 33.84 31.65 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 -3.11 1.22 2.33 5.55 0.00 -1.26 -4.99 119.74 119.48 2pku s LYS 94 Ca 0.77 -0.60 0.00 0.00 0.00 0.00 0.00 55.97 56.14 2pku s LYS 94 Cb -0.40 -1.20 0.00 0.00 0.00 0.00 0.00 37.83 36.23 2pku s LYS 94 CO 0.45 0.32 0.00 0.41 0.00 0.00 0.00 175.35 176.53 2pku n GLY 95 N 2.54 0.69 3.58 0.59 0.00 -1.26 -4.78 105.19 106.55 2pku n GLY 95 Ca -0.15 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 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 3.42 0.02 1.61 -1.05 -1.26 -2.87 118.70 118.57 2pku s GLU 96 Ca 0.00 0.29 -0.18 0.00 -0.15 0.00 0.00 54.97 54.93 2pku s GLU 96 Cb 0.00 -4.06 -0.06 0.00 -0.44 0.00 0.00 34.13 29.57 2pku s GLU 96 CO 0.00 -1.80 0.50 0.08 0.95 0.00 0.00 175.26 174.99 2pku s VAL 97 N 5.38 4.90 -0.09 1.83 1.01 0.24 -4.86 120.40 128.80 2pku s VAL 97 Ca 0.46 1.05 -0.02 0.00 0.00 0.00 0.00 61.98 63.46 2pku s VAL 97 Cb -0.09 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 2pku s VAL 97 CO 0.25 0.54 0.01 -0.89 0.00 0.00 0.00 175.10 175.00 2pku s THR 98 N -0.88 4.40 -0.07 3.92 2.01 -1.26 0.85 115.64 124.61 2pku s THR 98 Ca 0.27 -0.21 0.02 0.00 0.31 0.00 0.00 61.69 62.08 2pku s THR 98 Cb -0.18 -2.86 0.02 0.00 0.01 0.00 0.00 72.50 69.48 2pku s THR 98 CO 0.16 0.60 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.95 2pku s ILE 99 N -0.79 1.03 -0.69 1.82 -1.09 0.42 -0.19 121.20 121.72 2pku s ILE 99 Ca 0.12 -0.41 -0.19 0.00 -2.23 0.00 0.00 60.65 57.94 2pku s ILE 99 Cb -0.12 -0.97 0.12 0.00 -1.58 0.00 0.00 42.46 39.92 2pku s ILE 99 CO 0.02 0.34 0.83 -1.00 -1.23 0.00 0.00 174.94 173.90 2pku s HIS 100 N 0.79 3.05 0.07 3.97 3.76 -0.46 -1.64 115.29 124.83 2pku s HIS 100 Ca -0.12 -1.09 0.02 0.00 -0.15 0.00 0.00 55.06 53.71 2pku s HIS 100 Cb -0.15 -4.08 -0.04 0.00 1.11 0.00 0.00 32.58 29.41 2pku s HIS 100 CO 0.02 -1.35 0.10 1.52 -0.85 0.00 0.00 174.74 174.18 2pku s TYR 101 N 2.61 3.25 -0.15 1.40 -0.85 0.11 0.33 117.35 124.06 2pku s TYR 101 Ca 0.18 0.12 -0.01 0.00 -0.52 0.00 0.00 57.07 56.84 2pku s TYR 101 Cb -0.18 -1.66 0.04 0.00 0.38 0.00 0.00 41.96 40.54 2pku s TYR 101 CO 0.02 0.54 -0.03 -0.80 -1.52 0.00 0.00 175.55 173.76 2pku s ASN 102 N -2.33 2.56 0.19 -0.18 0.01 0.00 -0.91 114.94 114.29 2pku s ASN 102 Ca 0.29 -0.55 -0.30 0.00 -0.71 0.00 0.00 52.86 51.59 2pku s ASN 102 Cb -0.12 -0.77 -0.08 0.00 0.41 0.00 0.00 41.25 40.69 2pku s ASN 102 CO 0.22 -0.20 1.21 -0.54 -1.51 0.00 0.00 177.10 176.28 2pku s LYS 103 N 1.74 4.48 0.00 -0.60 1.02 -1.16 -1.29 119.74 123.93 2pku s LYS 103 Ca 0.02 1.89 0.11 0.00 0.02 0.00 0.00 55.97 58.01 2pku s LYS 103 Cb -0.15 -3.24 0.09 0.00 -0.52 0.00 0.00 37.83 34.01 2pku s LYS 103 CO -0.07 -0.10 0.85 1.28 -0.92 0.00 0.00 175.35 176.38