#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 5.21 -0.13 2.28 1.01 -0.90 -4.95 120.40 122.91 2pku s VAL 19 Ca 0.00 -1.47 -0.29 0.00 0.00 0.00 0.00 61.98 60.21 2pku s VAL 19 Cb 0.00 -4.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 2pku s VAL 19 CO 0.00 -0.85 1.66 -2.16 0.00 0.00 0.00 175.10 173.74 2pku s PRO 20 N 1.61 3.98 -0.11 2.72 0.04 -1.26 -1.48 135.00 140.50 2pku s PRO 20 Ca 0.03 1.96 -0.03 0.00 0.04 0.00 0.00 61.00 63.00 2pku s PRO 20 Cb -0.30 -4.02 0.05 0.00 0.04 0.00 0.00 34.50 30.27 2pku s PRO 20 CO 0.03 -1.08 0.11 0.20 0.04 0.00 0.00 177.00 176.30 2pku s GLY 21 N 3.92 0.18 -0.08 0.56 0.00 0.35 -5.00 107.32 107.25 2pku s GLY 21 Ca 0.74 0.16 -0.00 0.00 0.00 0.00 0.00 44.72 45.61 2pku s GLY 21 CO 0.29 1.65 -0.04 -1.59 0.00 0.00 0.00 173.10 173.42 2pku s LYS 22 N 2.21 2.90 -0.02 2.90 -2.85 -1.26 -1.13 119.74 122.49 2pku s LYS 22 Ca 0.04 -0.49 0.04 0.00 -1.00 0.00 0.00 55.97 54.56 2pku s LYS 22 Cb -0.14 -2.69 -0.00 0.00 -2.06 0.00 0.00 37.83 32.94 2pku s LYS 22 CO -0.06 0.65 -0.13 0.54 0.10 0.00 0.00 175.35 176.45 2pku s VAL 23 N -0.77 1.09 -0.82 1.79 0.11 -0.83 -4.94 120.40 116.03 2pku s VAL 23 Ca 0.12 -0.56 -0.14 0.00 -2.93 0.00 0.00 61.98 58.47 2pku s VAL 23 Cb -0.11 -0.94 0.21 0.00 -1.53 0.00 0.00 36.38 34.01 2pku s VAL 23 CO 0.02 0.32 0.78 -0.89 -3.33 0.00 0.00 175.10 172.00 2pku s THR 24 N -0.06 5.53 -0.12 5.04 2.01 -1.26 -1.01 115.64 125.76 2pku s THR 24 Ca 0.00 -2.35 -0.08 0.00 0.31 0.00 0.00 61.69 59.57 2pku s THR 24 Cb -0.08 -4.49 -0.04 0.00 0.01 0.00 0.00 72.50 67.90 2pku s THR 24 CO 0.00 -1.06 0.17 -0.76 -0.69 0.00 0.00 174.62 172.28 2pku s LEU 25 N 0.43 4.37 0.70 4.42 1.43 -0.41 -4.82 118.68 124.81 2pku s LEU 25 Ca 0.18 0.48 -0.09 0.00 -1.03 0.00 0.00 54.13 53.67 2pku s LEU 25 Cb -0.11 -2.13 0.04 0.00 0.03 0.00 0.00 46.19 44.03 2pku s LEU 25 CO -0.08 0.36 1.05 -1.10 0.23 0.00 0.00 176.35 176.81 2pku s GLN 26 N -0.80 2.47 0.58 1.70 1.11 -1.26 0.11 119.66 123.57 2pku s GLN 26 Ca 0.15 0.07 -0.12 0.00 0.01 0.00 0.00 55.36 55.48 2pku s GLN 26 Cb -0.12 -2.10 -0.05 0.00 -1.01 0.00 0.00 33.01 29.73 2pku s GLN 26 CO 0.04 -1.15 0.99 0.15 0.01 0.00 0.00 175.29 175.33 2pku s LYS 27 N -5.30 3.68 0.00 2.91 -0.14 -1.21 -4.67 119.74 115.02 2pku s LYS 27 Ca 0.59 0.74 0.00 0.00 -1.36 0.00 0.00 55.97 55.94 2pku s LYS 27 Cb -0.11 -2.13 0.00 0.00 -1.68 0.00 0.00 37.83 33.91 2pku s LYS 27 CO 0.48 -0.45 0.00 -3.47 -0.76 0.00 0.00 175.35 171.15 2pku n ASP 28 N -2.40 0.01 0.19 2.83 2.03 -1.25 -4.90 116.55 113.05 2pku n ASP 28 Ca 0.06 -1.01 0.05 0.00 0.52 0.00 0.00 54.79 54.41 2pku n ASP 28 Cb 0.54 -0.00 0.51 0.00 -0.72 0.00 0.00 41.12 41.45 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 -0.17 1.75 -0.99 -1.67 0.00 -1.97 -1.82 119.26 114.39 2pku h ALA 29 Ca -0.00 -0.11 -0.52 0.00 0.00 0.00 0.00 54.91 54.28 2pku h ALA 29 Cb 0.01 -0.05 -0.30 0.00 0.00 0.00 0.00 17.79 17.44 2pku h ALA 29 CO 0.00 0.19 0.66 0.00 0.00 0.00 0.00 179.25 180.10 2pku n GLN 30 N -4.39 2.27 -4.22 0.00 10.64 -1.26 -4.90 117.38 115.51 2pku n GLN 30 Ca -0.02 -3.03 -0.37 0.00 -1.83 0.00 0.00 57.00 51.75 2pku n GLN 30 Cb 0.18 -2.18 -0.05 0.00 -0.86 0.00 0.00 30.24 27.34 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 -1.13 -2.67 -3.66 2.61 6.94 -0.68 -4.91 115.26 111.76 2pku n ASN 31 Ca 0.60 -1.00 -0.26 0.00 -0.02 0.00 0.00 54.58 53.89 2pku n ASN 31 Cb 1.60 -2.23 -0.17 0.00 -2.36 0.00 0.00 39.78 36.61 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 -7.11 0.61 0.52 -4.53 1.43 -1.26 -4.79 118.68 103.56 2pku s LEU 32 Ca 0.73 -0.64 0.22 0.00 -1.03 0.00 0.00 54.13 53.41 2pku s LEU 32 Cb -0.41 -0.36 1.35 0.00 0.03 0.00 0.00 46.19 46.80 2pku s LEU 32 CO 0.90 -0.33 2.04 0.16 0.23 0.00 0.00 176.35 179.35 2pku h ILE 33 N 6.45 0.82 -1.96 -0.59 3.07 -1.91 -3.33 117.51 120.05 2pku h ILE 33 Ca -0.15 -0.01 0.00 0.00 1.55 0.00 0.00 64.86 66.25 2pku h ILE 33 Cb 1.14 0.80 0.00 0.00 -0.27 0.00 0.00 36.82 38.49 2pku h ILE 33 CO 0.30 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 178.01 2pku n GLY 34 N -1.61 -0.28 3.64 0.16 0.00 -1.26 -2.65 105.19 103.19 2pku n GLY 34 Ca 0.06 -0.30 -0.06 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.62 0.00 -0.07 -0.61 -4.36 -1.26 -4.29 121.20 109.98 2pku s ILE 35 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 60.65 60.28 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 0.27 -0.44 0.24 0.00 0.00 174.94 175.01 2pku s SER 36 N 1.34 6.59 0.25 4.36 0.01 -1.00 -5.02 113.70 120.23 2pku s SER 36 Ca -0.08 0.70 0.03 0.00 1.31 0.00 0.00 55.95 57.91 2pku s SER 36 Cb -0.05 -2.16 -0.05 0.00 0.21 0.00 0.00 66.02 63.97 2pku s SER 36 CO -0.16 0.35 0.03 0.27 0.41 0.00 0.00 173.24 174.14 2pku s ILE 37 N -0.94 0.94 -0.26 1.44 -4.36 -1.26 0.45 121.20 117.21 2pku s ILE 37 Ca 0.19 -2.02 -0.20 0.00 -0.26 0.00 0.00 60.65 58.36 2pku s ILE 37 Cb -0.14 -2.49 0.07 0.00 1.25 0.00 0.00 42.46 41.15 2pku s ILE 37 CO 0.08 -0.19 0.68 -0.83 0.24 0.00 0.00 174.94 174.92 2pku s GLY 38 N -3.34 -0.56 0.07 6.27 0.00 0.12 -4.82 107.32 105.06 2pku s GLY 38 Ca 0.32 2.12 -0.28 0.00 0.00 0.00 0.00 44.72 46.89 2pku s GLY 38 CO 0.11 1.97 1.07 -0.32 0.00 0.00 0.00 173.10 175.93 2pku s GLY 39 N 0.90 -0.31 0.00 0.20 0.00 -1.26 -1.38 107.32 105.46 2pku s GLY 39 Ca -0.04 0.45 0.00 0.00 0.00 0.00 0.00 44.72 45.13 2pku s GLY 39 CO -0.08 0.09 0.00 0.61 0.00 0.00 0.00 173.10 173.72 2pku n GLY 40 N -0.44 0.63 0.09 0.20 0.00 0.28 -4.60 105.19 101.35 2pku n GLY 40 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.11 4.61 0.00 -1.14 -4.37 120.51 116.50 2pku n ALA 41 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 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 1.04 0.00 0.00 0.00 177.50 178.54 2pku n GLN 42 N -1.01 0.50 -0.05 0.00 3.00 -1.26 -4.04 117.38 114.52 2pku n GLN 42 Ca 0.00 0.19 -0.10 0.00 -0.01 0.00 0.00 57.00 57.08 2pku n GLN 42 Cb 0.00 -1.35 -0.15 0.00 0.00 0.00 0.00 30.24 28.74 2pku n GLN 42 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2pku n TYR 43 N -3.78 0.59 -3.18 1.08 4.01 -1.26 -4.61 117.16 110.00 2pku n TYR 43 Ca -0.44 0.21 -0.22 0.00 -0.16 0.00 0.00 57.90 57.29 2pku n TYR 43 Cb 0.85 -1.11 -0.05 0.00 -0.31 0.00 0.00 39.34 38.72 2pku n TYR 43 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2pku h PRO 45 N 3.43 0.00 -6.52 0.00 0.11 -1.82 0.80 132.00 128.00 2pku h PRO 45 Ca 0.10 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.69 2pku h PRO 45 Cb 0.85 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 2pku h PRO 45 CO 0.56 0.00 0.42 0.00 -0.21 0.00 0.00 178.00 178.77 2pku s LEU 47 N 0.41 3.65 0.11 0.00 1.02 -1.26 -4.26 118.68 118.34 2pku s LEU 47 Ca 0.51 -0.40 -0.25 0.00 0.02 0.00 0.00 54.13 54.01 2pku s LEU 47 Cb -0.25 -2.67 0.07 0.00 0.02 0.00 0.00 46.19 43.37 2pku s LEU 47 CO 0.30 -0.77 0.65 -0.72 0.02 0.00 0.00 176.35 175.83 2pku s TYR 48 N -2.36 -0.54 0.68 0.29 1.13 -0.48 -3.81 117.35 112.26 2pku s TYR 48 Ca 0.55 0.45 -0.11 0.00 -1.41 0.00 0.00 57.07 56.55 2pku s TYR 48 Cb -0.10 0.53 -0.00 0.00 -1.10 0.00 0.00 41.96 41.29 2pku s TYR 48 CO 0.33 -0.78 1.06 0.42 -2.51 0.00 0.00 175.55 174.07 2pku s ILE 49 N -3.26 4.15 0.01 -3.49 1.09 -1.19 0.11 121.20 118.61 2pku s ILE 49 Ca -0.00 0.70 0.00 0.00 -1.10 0.00 0.00 60.65 60.24 2pku s ILE 49 Cb -0.01 -3.53 0.00 0.00 -1.06 0.00 0.00 42.46 37.87 2pku s ILE 49 CO -0.09 -0.91 0.00 0.52 -0.10 0.00 0.00 174.94 174.36 2pku n VAL 50 N -3.03 0.08 -3.64 2.92 0.31 0.17 -4.57 118.33 110.58 2pku n VAL 50 Ca 0.07 0.03 -0.15 0.00 -0.01 0.00 0.00 64.34 64.28 2pku n VAL 50 Cb 0.54 -1.02 -0.08 0.00 -0.91 0.00 0.00 33.84 32.37 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 -1.07 0.82 0.41 5.55 0.74 -1.25 -3.62 119.66 121.24 2pku s GLN 51 Ca 0.00 0.43 0.03 0.00 0.05 0.00 0.00 55.36 55.87 2pku s GLN 51 Cb 0.00 0.39 -0.00 0.00 1.10 0.00 0.00 33.01 34.49 2pku s GLN 51 CO 0.00 -0.19 0.61 0.08 -0.55 0.00 0.00 175.29 175.24 2pku s VAL 52 N -0.53 3.95 0.22 1.34 1.01 -1.26 -2.39 120.40 122.75 2pku s VAL 52 Ca -0.06 -0.68 0.10 0.00 0.00 0.00 0.00 61.98 61.33 2pku s VAL 52 Cb -0.03 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 2pku s VAL 52 CO 0.05 -0.25 -0.10 -0.36 0.00 0.00 0.00 175.10 174.44 2pku s PHE 53 N -2.43 2.57 0.73 5.22 0.08 -1.26 -5.01 117.98 117.88 2pku s PHE 53 Ca 0.48 -0.25 -0.11 0.00 0.12 0.00 0.00 56.93 57.17 2pku s PHE 53 Cb -0.10 -1.20 0.03 0.00 -0.57 0.00 0.00 43.02 41.19 2pku s PHE 53 CO 0.36 0.58 1.08 0.34 -0.10 0.00 0.00 175.22 177.47 2pku s ASP 54 N -3.19 4.91 -1.12 1.36 2.15 -1.26 -3.43 116.67 116.09 2pku s ASP 54 Ca 0.27 1.76 0.00 0.00 0.43 0.00 0.00 52.55 55.01 2pku s ASP 54 Cb -0.07 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 2pku s ASP 54 CO 0.16 -1.76 0.00 0.59 -0.17 0.00 0.00 175.17 173.99 2pku n ASN 55 N -3.26 -5.22 -4.85 -0.34 3.02 -1.26 -4.98 115.26 98.37 2pku n ASN 55 Ca 0.09 0.26 -0.32 0.00 -0.03 0.00 0.00 54.58 54.57 2pku n ASN 55 Cb 0.53 -3.65 -0.06 0.00 -0.61 0.00 0.00 39.78 35.99 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 -2.07 5.05 0.41 3.41 -4.23 -1.22 -4.97 115.64 112.01 2pku s THR 56 Ca 0.00 -0.38 0.09 0.00 -1.18 0.00 0.00 61.69 60.22 2pku s THR 56 Cb 0.00 -3.38 0.29 0.00 1.34 0.00 0.00 72.50 70.76 2pku s THR 56 CO 0.00 0.27 2.01 1.55 -0.54 0.00 0.00 174.62 177.91 2pku h PRO 57 N 3.68 0.54 -0.31 3.99 0.13 -1.84 0.28 132.00 138.47 2pku h PRO 57 Ca -0.48 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 64.51 2pku h PRO 57 Cb 1.18 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 2pku h PRO 57 CO 0.68 0.36 -0.26 0.00 -0.23 0.00 0.00 178.00 178.54 2pku h ALA 58 N 1.70 0.96 0.03 -0.56 0.00 -1.75 -2.24 119.26 117.39 2pku h ALA 58 Ca 0.23 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 2pku h ALA 58 Cb 0.21 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2pku h ALA 58 CO -0.06 0.60 -0.44 0.00 0.00 0.00 0.00 179.25 179.35 2pku h ALA 59 N 1.17 0.05 -0.86 0.00 0.00 -1.55 -2.58 119.26 115.49 2pku h ALA 59 Ca 0.07 -0.70 0.14 0.00 0.00 0.00 0.00 54.91 54.42 2pku h ALA 59 Cb 0.73 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 18.62 2pku h ALA 59 CO 0.06 0.24 0.46 -0.07 0.00 0.00 0.00 179.25 179.94 2pku h LEU 60 N -0.88 0.59 -0.24 0.00 3.38 -0.54 -0.54 115.31 117.09 2pku h LEU 60 Ca -0.11 0.08 -0.19 0.00 0.09 0.00 0.00 57.88 57.75 2pku h LEU 60 Cb 1.19 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 2pku h LEU 60 CO -0.02 0.27 -0.90 0.44 0.09 0.00 0.00 178.44 178.33 2pku h ASP 61 N 0.69 0.12 -4.18 -0.43 5.19 -1.54 -3.50 116.42 112.77 2pku h ASP 61 Ca 0.46 -0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.76 2pku h ASP 61 Cb 0.60 -0.04 -0.00 0.00 0.18 0.00 0.00 39.33 40.07 2pku h ASP 61 CO -0.33 0.95 -0.57 0.61 -3.12 0.00 0.00 179.24 176.78 2pku n GLY 62 N 0.97 -3.69 2.12 2.75 0.00 -0.21 -5.04 105.19 102.10 2pku n GLY 62 Ca -0.02 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.41 0.00 -4.10 2.61 -1.04 -1.22 -5.06 114.28 105.88 2pku n THR 63 Ca -0.01 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.64 2pku n THR 63 Cb 0.01 -0.12 -0.08 0.00 -1.82 0.00 0.00 70.33 68.32 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 4.92 0.00 12.58 -7.23 -1.26 -5.07 120.40 122.34 2pku s VAL 64 Ca 0.00 -0.01 -0.08 0.00 -1.81 0.00 0.00 61.98 60.07 2pku s VAL 64 Cb 0.00 -3.13 0.03 0.00 0.56 0.00 0.00 36.38 33.84 2pku s VAL 64 CO 0.00 0.59 0.38 0.00 -0.31 0.00 0.00 175.10 175.76 2pku n ALA 65 N 2.28 -1.07 -1.69 1.32 0.00 -1.26 -4.73 120.51 115.36 2pku n ALA 65 Ca -0.19 -0.26 -0.44 0.00 0.00 0.00 0.00 53.44 52.55 2pku n ALA 65 Cb 0.54 0.07 -0.02 0.00 0.00 0.00 0.00 19.45 20.03 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 -2.36 1.50 0.00 0.00 0.00 -1.24 -3.25 120.51 115.16 2pku n ALA 66 Ca -0.04 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2pku n ALA 66 Cb 0.18 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.30 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 2.24 1.46 3.31 0.00 0.00 -1.26 -5.05 105.19 105.89 2pku n GLY 67 Ca 0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.00 2.05 -0.38 1.61 1.01 -1.20 -3.81 116.67 113.96 2pku s ASP 68 Ca 0.00 -1.11 0.04 0.00 0.71 0.00 0.00 52.55 52.19 2pku s ASP 68 Cb 0.00 -0.04 0.11 0.00 1.01 0.00 0.00 42.92 43.99 2pku s ASP 68 CO 0.00 -0.37 0.09 -0.70 0.21 0.00 0.00 175.17 174.41 2pku s GLU 69 N -3.77 1.56 0.09 8.23 -6.30 0.38 -3.19 118.70 115.70 2pku s GLU 69 Ca 0.23 -2.01 -0.31 0.00 -2.50 0.00 0.00 54.97 50.39 2pku s GLU 69 Cb 0.03 -3.20 -0.07 0.00 0.00 0.00 0.00 34.13 30.90 2pku s GLU 69 CO 0.06 -0.98 1.26 -1.50 0.02 0.00 0.00 175.26 174.12 2pku s ILE 70 N 0.68 3.78 -0.02 -3.70 2.07 -1.25 -0.64 121.20 122.11 2pku s ILE 70 Ca 0.12 1.29 0.16 0.00 -1.41 0.00 0.00 60.65 60.82 2pku s ILE 70 Cb -0.20 -3.83 0.28 0.00 0.13 0.00 0.00 42.46 38.84 2pku s ILE 70 CO -0.07 0.11 1.12 1.07 -1.91 0.00 0.00 174.94 175.26 2pku n THR 71 N 3.83 0.06 0.00 4.00 5.66 0.12 -4.28 114.28 123.66 2pku n THR 71 Ca 0.09 -0.74 0.00 0.00 -3.05 0.00 0.00 64.05 60.35 2pku n THR 71 Cb 0.45 0.84 0.00 0.00 -1.55 0.00 0.00 70.33 70.07 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 0.21 0.64 3.64 1.09 0.00 -1.24 -3.51 105.19 106.03 2pku n GLY 72 Ca -0.06 -0.78 -0.07 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 -1.33 1.61 0.11 -0.84 -1.89 120.40 116.06 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 -3.20 -3.33 0.00 0.00 175.10 168.57 2pku n ASN 74 N 3.26 -4.33 0.00 3.54 2.85 -0.46 -0.35 115.26 119.77 2pku n ASN 74 Ca -0.16 0.19 0.00 0.00 -0.11 0.00 0.00 54.58 54.50 2pku n ASN 74 Cb 0.57 -3.72 0.00 0.00 1.24 0.00 0.00 39.78 37.87 2pku n ASN 74 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2pku n GLY 75 N -0.72 3.01 1.60 8.20 0.00 -1.26 -4.91 105.19 111.11 2pku n GLY 75 Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 2pku n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pku n ARG 76 N -0.48 -1.24 -4.80 1.61 1.74 0.52 -5.08 116.66 108.93 2pku n ARG 76 Ca 0.00 -0.83 -0.28 0.00 -0.77 0.00 0.00 57.85 55.98 2pku n ARG 76 Cb 0.00 -0.65 -0.15 0.00 -1.02 0.00 0.00 32.46 30.64 2pku n ARG 76 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2pku s SER 77 N -2.95 2.75 0.00 0.55 0.15 -1.26 -1.99 113.70 110.95 2pku s SER 77 Ca 0.32 -0.53 0.05 0.00 0.70 0.00 0.00 55.95 56.48 2pku s SER 77 Cb -0.02 -0.25 0.13 0.00 -1.71 0.00 0.00 66.02 64.17 2pku s SER 77 CO 0.23 0.21 1.07 2.30 1.20 0.00 0.00 173.24 178.25 2pku n ILE 78 N 1.91 0.90 0.25 6.45 -6.64 -1.23 -4.64 119.36 116.36 2pku n ILE 78 Ca -0.17 -0.95 0.12 0.00 -1.77 0.00 0.00 62.75 59.98 2pku n ILE 78 Cb 0.53 0.56 0.74 0.00 -1.44 0.00 0.00 39.64 40.03 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 0.93 0.00 -0.66 6.28 1.79 -1.90 -2.01 116.57 120.99 2pku h LYS 79 Ca 0.00 0.00 -0.45 0.00 -2.18 0.00 0.00 60.65 58.02 2pku h LYS 79 Cb 0.57 0.00 -0.28 0.00 -1.58 0.00 0.00 32.23 30.93 2pku h LYS 79 CO 0.00 0.00 -0.17 0.41 -1.08 0.00 0.00 179.45 178.61 2pku n GLY 80 N -1.47 5.75 3.21 3.86 0.00 -1.26 -4.62 105.19 110.66 2pku n GLY 80 Ca -0.02 -2.07 -0.19 0.00 0.00 0.00 0.00 46.02 43.74 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 -3.53 0.94 0.69 1.61 -0.14 -0.76 -5.12 119.74 113.43 2pku s LYS 81 Ca 0.52 -1.08 -0.04 0.00 -1.36 0.00 0.00 55.97 54.01 2pku s LYS 81 Cb 0.43 -0.96 0.08 0.00 -1.68 0.00 0.00 37.83 35.70 2pku s LYS 81 CO 0.01 0.21 0.98 0.99 -0.76 0.00 0.00 175.35 176.78 2pku s THR 82 N -1.50 2.31 0.26 2.17 2.01 -1.26 -4.81 115.64 114.82 2pku s THR 82 Ca 0.03 -0.40 -0.03 0.00 0.31 0.00 0.00 61.69 61.59 2pku s THR 82 Cb -0.09 -2.91 0.27 0.00 0.01 0.00 0.00 72.50 69.78 2pku s THR 82 CO 0.03 0.00 1.89 0.50 -0.69 0.00 0.00 174.62 176.35 2pku h LYS 83 N -0.52 1.17 -0.07 4.92 3.64 -1.81 0.68 116.57 124.58 2pku h LYS 83 Ca -0.42 -0.07 -0.17 0.00 -1.27 0.00 0.00 60.65 58.71 2pku h LYS 83 Cb 1.29 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 2pku h LYS 83 CO 0.52 0.77 -0.71 -0.39 -2.27 0.00 0.00 179.45 177.38 2pku h VAL 84 N 1.21 1.39 0.10 2.00 -1.51 -1.96 -1.53 116.25 115.95 2pku h VAL 84 Ca 0.42 -2.15 -0.00 0.00 -1.23 0.00 0.00 66.70 63.74 2pku h VAL 84 Cb 0.11 2.12 0.00 0.00 -2.13 0.00 0.00 31.29 31.39 2pku h VAL 84 CO -0.16 0.64 -0.05 -0.33 -1.23 0.00 0.00 177.57 176.44 2pku h GLU 85 N 0.23 -0.13 -0.14 5.19 4.39 -1.70 -2.10 114.58 120.31 2pku h GLU 85 Ca -0.02 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2pku h GLU 85 Cb 1.27 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.94 2pku h GLU 85 CO 0.12 0.26 0.04 0.28 -1.16 0.00 0.00 179.01 178.55 2pku h VAL 86 N -0.56 1.18 -0.31 3.13 2.07 -0.97 -1.48 116.25 119.32 2pku h VAL 86 Ca -0.01 -0.56 0.07 0.00 0.82 0.00 0.00 66.70 67.01 2pku h VAL 86 Cb 0.45 1.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.45 2pku h VAL 86 CO 0.02 0.17 -0.11 0.00 0.02 0.00 0.00 177.57 177.68 2pku h ALA 87 N 0.86 0.16 -0.09 1.67 0.00 -1.34 -0.32 119.26 120.20 2pku h ALA 87 Ca 0.05 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2pku h ALA 87 Cb 0.23 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2pku h ALA 87 CO -0.00 -0.49 -0.14 0.87 0.00 0.00 0.00 179.25 179.48 2pku h LYS 88 N -0.04 0.14 -0.70 0.00 1.57 -1.32 -2.13 116.57 114.09 2pku h LYS 88 Ca 0.15 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 2pku h LYS 88 Cb 0.28 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 2pku h LYS 88 CO -0.34 0.29 0.39 1.98 -0.57 0.00 0.00 179.45 181.20 2pku h MET 89 N 0.14 0.98 -0.12 3.15 4.05 0.03 0.39 114.93 123.55 2pku h MET 89 Ca 0.03 -0.11 -0.19 0.00 -0.28 0.00 0.00 59.70 59.15 2pku h MET 89 Cb 0.34 -0.19 -0.00 0.00 -0.80 0.00 0.00 31.60 30.94 2pku h MET 89 CO 0.02 0.73 -0.70 0.82 0.23 0.00 0.00 176.91 178.00 2pku h ILE 90 N 0.97 1.34 0.00 1.77 1.08 -0.96 0.03 117.51 121.74 2pku h ILE 90 Ca 0.25 -2.03 -0.12 0.00 -0.39 0.00 0.00 64.86 62.57 2pku h ILE 90 Cb 0.03 2.01 -0.02 0.00 -3.07 0.00 0.00 36.82 35.77 2pku h ILE 90 CO -0.04 0.62 -0.59 1.56 -0.69 0.00 0.00 178.15 179.01 2pku h GLN 91 N 0.37 0.00 0.08 2.37 4.20 -1.08 -3.29 115.11 117.76 2pku h GLN 91 Ca -0.03 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.51 2pku h GLN 91 Cb 1.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.07 2pku h GLN 91 CO 0.13 0.59 -0.84 0.93 -0.67 0.00 0.00 178.83 178.97 2pku h GLU 92 N 0.00 0.16 -6.98 1.46 4.39 -0.17 -3.47 114.58 109.97 2pku h GLU 92 Ca -0.01 -0.28 -0.56 0.00 0.34 0.00 0.00 59.36 58.86 2pku h GLU 92 Cb 1.15 0.10 0.15 0.00 -0.10 0.00 0.00 28.75 30.05 2pku h GLU 92 CO 0.08 1.13 0.47 1.55 -1.16 0.00 0.00 179.01 181.07 2pku n VAL 93 N -4.24 3.91 -4.33 3.13 3.14 -0.01 -5.03 118.33 114.90 2pku n VAL 93 Ca -0.19 -0.50 -0.15 0.00 -2.96 0.00 0.00 64.34 60.55 2pku n VAL 93 Cb 0.74 -1.50 -0.03 0.00 -1.06 0.00 0.00 33.84 31.98 2pku n VAL 93 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2pku n LYS 94 N -1.08 1.30 0.00 1.45 4.76 -1.26 -4.91 118.16 118.42 2pku n LYS 94 Ca 0.12 -1.70 0.00 0.00 -2.87 0.00 0.00 58.31 53.86 2pku n LYS 94 Cb 0.45 0.54 0.00 0.00 -1.84 0.00 0.00 35.03 34.18 2pku n LYS 94 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2pku n GLY 95 N 1.94 2.91 3.69 0.72 0.00 -1.26 -4.54 105.19 108.64 2pku n GLY 95 Ca -0.08 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 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 4.34 -0.38 1.61 -1.05 -1.26 -3.29 118.70 118.67 2pku s GLU 96 Ca 0.00 1.69 -0.09 0.00 -0.15 0.00 0.00 54.97 56.42 2pku s GLU 96 Cb 0.00 -3.57 0.05 0.00 -0.44 0.00 0.00 34.13 30.17 2pku s GLU 96 CO 0.00 -0.47 0.19 0.08 0.95 0.00 0.00 175.26 176.01 2pku s VAL 97 N 2.31 4.18 0.45 1.83 1.01 0.30 -4.89 120.40 125.59 2pku s VAL 97 Ca 0.56 -1.16 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 2pku s VAL 97 Cb -0.25 -3.43 -0.06 0.00 0.00 0.00 0.00 36.38 32.63 2pku s VAL 97 CO 0.22 -0.32 0.84 -0.89 0.00 0.00 0.00 175.10 174.94 2pku s THR 98 N 1.45 4.73 -0.09 3.92 2.01 -1.26 -1.28 115.64 125.12 2pku s THR 98 Ca 0.01 0.75 -0.04 0.00 0.31 0.00 0.00 61.69 62.73 2pku s THR 98 Cb -0.21 -3.75 0.05 0.00 0.01 0.00 0.00 72.50 68.61 2pku s THR 98 CO 0.04 -0.62 0.17 -0.63 -0.69 0.00 0.00 174.62 172.89 2pku s ILE 99 N -2.50 -0.28 -1.03 1.82 -1.09 -0.18 -1.36 121.20 116.59 2pku s ILE 99 Ca 0.53 0.32 -0.18 0.00 -2.23 0.00 0.00 60.65 59.10 2pku s ILE 99 Cb -0.10 -0.33 0.13 0.00 -1.58 0.00 0.00 42.46 40.58 2pku s ILE 99 CO 0.33 0.13 1.27 -1.00 -1.23 0.00 0.00 174.94 174.44 2pku s HIS 100 N 2.31 3.14 -0.04 3.97 3.76 -0.79 -1.97 115.29 125.67 2pku s HIS 100 Ca 0.03 -1.55 -0.04 0.00 -0.15 0.00 0.00 55.06 53.35 2pku s HIS 100 Cb -0.12 -4.36 -0.04 0.00 1.11 0.00 0.00 32.58 29.17 2pku s HIS 100 CO -0.06 -1.53 0.17 1.52 -0.85 0.00 0.00 174.74 173.99 2pku s TYR 101 N 2.70 3.57 -0.18 1.40 -0.85 -0.28 0.13 117.35 123.84 2pku s TYR 101 Ca 0.38 0.41 0.01 0.00 -0.52 0.00 0.00 57.07 57.35 2pku s TYR 101 Cb -0.03 -1.86 0.02 0.00 0.38 0.00 0.00 41.96 40.46 2pku s TYR 101 CO -0.06 0.68 -0.20 -0.80 -1.52 0.00 0.00 175.55 173.65 2pku s ASN 102 N -1.65 3.12 0.12 -0.18 0.01 0.19 -0.50 114.94 116.04 2pku s ASN 102 Ca 0.23 -0.65 -0.30 0.00 -0.71 0.00 0.00 52.86 51.43 2pku s ASN 102 Cb -0.12 -1.46 -0.07 0.00 0.41 0.00 0.00 41.25 40.00 2pku s ASN 102 CO 0.14 -0.00 1.22 -0.54 -1.51 0.00 0.00 177.10 176.41 2pku s LYS 103 N 1.30 4.44 0.00 -0.60 1.02 -0.55 -0.47 119.74 124.88 2pku s LYS 103 Ca 0.05 1.85 0.17 0.00 0.02 0.00 0.00 55.97 58.06 2pku s LYS 103 Cb -0.13 -3.29 0.14 0.00 -0.52 0.00 0.00 37.83 34.02 2pku s LYS 103 CO -0.13 -0.21 1.04 1.28 -0.92 0.00 0.00 175.35 176.41