#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 3.12 -0.38 2.28 1.01 -0.82 -4.97 120.40 120.65 2pku s VAL 19 Ca 0.00 -3.05 -0.28 0.00 0.00 0.00 0.00 61.98 58.65 2pku s VAL 19 Cb 0.00 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 2pku s VAL 19 CO 0.00 -0.82 1.83 -2.16 0.00 0.00 0.00 175.10 173.95 2pku s PRO 20 N -0.06 3.17 -0.01 2.72 0.04 -1.26 -2.17 135.00 137.43 2pku s PRO 20 Ca 0.16 1.29 0.03 0.00 0.04 0.00 0.00 61.00 62.52 2pku s PRO 20 Cb -0.23 -4.24 -0.00 0.00 0.04 0.00 0.00 34.50 30.07 2pku s PRO 20 CO -0.02 -2.05 -0.09 0.20 0.04 0.00 0.00 177.00 175.08 2pku s GLY 21 N 6.63 0.46 -0.11 0.56 0.00 0.07 -5.02 107.32 109.91 2pku s GLY 21 Ca 0.78 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.16 2pku s GLY 21 CO 0.31 -0.20 -0.11 -1.59 0.00 0.00 0.00 173.10 171.51 2pku s LYS 22 N -0.02 3.17 -0.00 2.90 -2.85 -1.26 -0.86 119.74 120.82 2pku s LYS 22 Ca 0.00 -0.64 0.07 0.00 -1.00 0.00 0.00 55.97 54.41 2pku s LYS 22 Cb -0.06 -2.62 -0.02 0.00 -2.06 0.00 0.00 37.83 33.07 2pku s LYS 22 CO -0.00 0.36 -0.23 0.54 0.10 0.00 0.00 175.35 176.12 2pku s VAL 23 N -0.02 1.81 -0.73 1.79 0.11 -0.59 -4.98 120.40 117.77 2pku s VAL 23 Ca -0.02 -1.04 -0.16 0.00 -2.93 0.00 0.00 61.98 57.84 2pku s VAL 23 Cb -0.14 -1.51 0.17 0.00 -1.53 0.00 0.00 36.38 33.37 2pku s VAL 23 CO 0.04 0.46 0.73 -0.89 -3.33 0.00 0.00 175.10 172.10 2pku s THR 24 N -0.59 5.32 -0.15 5.04 2.01 -1.26 -1.23 115.64 124.77 2pku s THR 24 Ca 0.09 -1.94 -0.08 0.00 0.31 0.00 0.00 61.69 60.07 2pku s THR 24 Cb -0.09 -4.47 -0.04 0.00 0.01 0.00 0.00 72.50 67.91 2pku s THR 24 CO -0.00 -1.05 0.12 -0.76 -0.69 0.00 0.00 174.62 172.24 2pku s LEU 25 N 1.11 4.23 0.05 4.42 1.43 0.28 -4.86 118.68 125.34 2pku s LEU 25 Ca 0.15 0.33 -0.10 0.00 -1.03 0.00 0.00 54.13 53.48 2pku s LEU 25 Cb -0.16 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 43.95 2pku s LEU 25 CO -0.04 0.31 0.37 -1.10 0.23 0.00 0.00 176.35 176.11 2pku s GLN 26 N -0.40 3.73 0.87 1.70 -0.21 -1.26 0.10 119.66 124.19 2pku s GLN 26 Ca 0.11 0.14 -0.11 0.00 0.02 0.00 0.00 55.36 55.52 2pku s GLN 26 Cb -0.12 -3.05 0.12 0.00 1.00 0.00 0.00 33.01 30.97 2pku s GLN 26 CO 0.01 0.60 1.17 0.15 -2.12 0.00 0.00 175.29 175.11 2pku s LYS 27 N -1.75 1.26 0.00 2.91 -0.14 -1.24 -4.71 119.74 116.07 2pku s LYS 27 Ca 0.30 1.65 0.00 0.00 -1.36 0.00 0.00 55.97 56.56 2pku s LYS 27 Cb -0.14 -1.74 0.00 0.00 -1.68 0.00 0.00 37.83 34.27 2pku s LYS 27 CO 0.17 -2.48 0.00 -3.47 -0.76 0.00 0.00 175.35 168.81 2pku n ASP 28 N -3.85 0.00 0.21 2.83 2.03 -1.23 -4.85 116.55 111.69 2pku n ASP 28 Ca 0.13 -0.98 0.09 0.00 0.52 0.00 0.00 54.79 54.55 2pku n ASP 28 Cb 0.51 0.00 0.63 0.00 -0.72 0.00 0.00 41.12 41.54 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 -0.88 2.03 -0.81 -1.67 0.00 -1.96 -0.41 119.26 115.56 2pku h ALA 29 Ca 0.00 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.62 2pku h ALA 29 Cb 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 17.61 2pku h ALA 29 CO 0.00 -0.05 0.36 1.04 0.00 0.00 0.00 179.25 180.60 2pku n GLN 30 N -4.52 3.46 -2.30 0.00 3.00 -1.26 -4.89 117.38 110.88 2pku n GLN 30 Ca -0.01 -3.08 -0.15 0.00 -0.01 0.00 0.00 57.00 53.76 2pku n GLN 30 Cb 0.14 -2.22 -0.01 0.00 0.00 0.00 0.00 30.24 28.15 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 -0.34 -4.41 -3.90 1.08 5.15 -0.16 -4.93 115.26 107.76 2pku n ASN 31 Ca 0.45 0.16 -0.30 0.00 -0.60 0.00 0.00 54.58 54.30 2pku n ASN 31 Cb 1.46 -3.75 -0.15 0.00 -0.53 0.00 0.00 39.78 36.81 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 -5.51 2.93 0.56 1.20 1.43 -1.26 -4.70 118.68 113.33 2pku s LEU 32 Ca 0.00 -1.51 0.27 0.00 -1.03 0.00 0.00 54.13 51.86 2pku s LEU 32 Cb 0.00 -1.17 1.49 0.00 0.03 0.00 0.00 46.19 46.53 2pku s LEU 32 CO 0.00 -0.32 2.01 0.16 0.23 0.00 0.00 176.35 178.43 2pku h ILE 33 N 6.60 0.58 -2.24 -0.59 3.07 -1.90 -3.25 117.51 119.78 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 1.05 0.74 0.00 0.00 -0.27 0.00 0.00 36.82 38.34 2pku h ILE 33 CO 0.45 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 178.16 2pku n GLY 34 N -1.54 -0.23 3.57 0.16 0.00 -1.26 -2.69 105.19 103.20 2pku n GLY 34 Ca 0.07 -0.28 -0.09 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 -1.42 -0.00 0.15 -0.61 -4.36 -1.26 -4.22 121.20 109.48 2pku s ILE 35 Ca 0.00 0.01 -0.01 0.00 -0.26 0.00 0.00 60.65 60.40 2pku s ILE 35 Cb 0.00 -0.93 -0.04 0.00 1.25 0.00 0.00 42.46 42.74 2pku s ILE 35 CO 0.00 0.01 0.33 -0.55 0.24 0.00 0.00 174.94 174.96 2pku s SER 36 N 1.31 6.39 0.18 4.36 0.15 -1.25 -5.00 113.70 119.84 2pku s SER 36 Ca -0.08 0.36 -0.05 0.00 0.70 0.00 0.00 55.95 56.88 2pku s SER 36 Cb -0.05 -1.99 -0.02 0.00 -1.71 0.00 0.00 66.02 62.24 2pku s SER 36 CO -0.14 0.04 0.21 0.27 1.20 0.00 0.00 173.24 174.82 2pku s ILE 37 N -1.73 0.05 -0.29 6.45 -4.36 -1.26 -0.09 121.20 119.97 2pku s ILE 37 Ca 0.37 -1.70 -0.07 0.00 -0.26 0.00 0.00 60.65 59.00 2pku s ILE 37 Cb -0.12 -2.13 0.14 0.00 1.25 0.00 0.00 42.46 41.61 2pku s ILE 37 CO 0.28 -0.22 0.60 -0.83 0.24 0.00 0.00 174.94 175.02 2pku s GLY 38 N -3.05 -0.76 -0.00 6.27 0.00 -0.50 -4.81 107.32 104.47 2pku s GLY 38 Ca 0.26 2.07 -0.29 0.00 0.00 0.00 0.00 44.72 46.76 2pku s GLY 38 CO 0.05 3.08 1.04 -0.32 0.00 0.00 0.00 173.10 176.95 2pku s GLY 39 N 2.85 -0.36 0.00 0.20 0.00 -1.26 -1.92 107.32 106.83 2pku s GLY 39 Ca 0.03 0.84 0.00 0.00 0.00 0.00 0.00 44.72 45.59 2pku s GLY 39 CO -0.19 0.25 0.00 0.61 0.00 0.00 0.00 173.10 173.77 2pku n GLY 40 N -0.32 0.55 0.48 0.20 0.00 0.29 -4.26 105.19 102.13 2pku n GLY 40 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.00 4.61 0.00 -0.24 -3.40 120.51 118.47 2pku n ALA 41 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2pku n ALA 41 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -0.07 0.00 4.20 -1.92 -3.24 115.11 114.08 2pku h GLN 42 Ca 0.00 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 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 0.00 -0.18 1.88 -0.67 0.00 0.00 178.83 179.86 2pku h TYR 43 N -0.05 0.32 -2.71 2.96 0.05 -2.03 -3.37 116.97 112.14 2pku h TYR 43 Ca 0.00 -0.12 -0.65 0.00 0.05 0.00 0.00 58.73 58.01 2pku h TYR 43 Cb 0.00 -0.06 -0.39 0.00 1.01 0.00 0.00 36.73 37.30 2pku h TYR 43 CO -0.00 0.79 -0.34 0.00 -1.05 0.00 0.00 178.16 177.56 2pku h PRO 45 N 4.96 0.00 -6.36 0.00 0.13 -1.73 0.87 132.00 129.86 2pku h PRO 45 Ca 0.18 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.74 2pku h PRO 45 Cb 0.71 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.86 2pku h PRO 45 CO 0.87 0.08 1.13 0.00 -0.23 0.00 0.00 178.00 179.85 2pku s LEU 47 N 3.72 3.23 0.40 0.00 2.96 -1.26 -3.91 118.68 123.82 2pku s LEU 47 Ca 0.88 -0.18 0.07 0.00 -0.22 0.00 0.00 54.13 54.69 2pku s LEU 47 Cb -0.56 -1.80 -0.06 0.00 0.50 0.00 0.00 46.19 44.27 2pku s LEU 47 CO 0.45 0.12 0.09 -0.31 -1.32 0.00 0.00 176.35 175.37 2pku s TYR 48 N 0.68 2.56 -0.05 5.38 2.02 -0.81 -3.95 117.35 123.18 2pku s TYR 48 Ca -0.01 -0.61 0.05 0.00 -0.37 0.00 0.00 57.07 56.13 2pku s TYR 48 Cb -0.14 -1.83 -0.02 0.00 -0.40 0.00 0.00 41.96 39.57 2pku s TYR 48 CO 0.02 0.33 -0.21 0.42 -1.57 0.00 0.00 175.55 174.54 2pku s ILE 49 N -2.64 2.41 0.36 2.71 1.01 -1.19 -1.41 121.20 122.45 2pku s ILE 49 Ca 0.38 -0.95 0.07 0.00 0.00 0.00 0.00 60.65 60.16 2pku s ILE 49 Cb 0.06 -1.90 -0.02 0.00 0.01 0.00 0.00 42.46 40.61 2pku s ILE 49 CO 0.20 0.57 0.34 -0.69 0.00 0.00 0.00 174.94 175.37 2pku s VAL 50 N -0.36 3.27 0.47 2.92 1.01 0.87 -3.24 120.40 125.34 2pku s VAL 50 Ca 0.03 -1.33 -0.20 0.00 0.00 0.00 0.00 61.98 60.48 2pku s VAL 50 Cb -0.12 -3.13 -0.12 0.00 0.00 0.00 0.00 36.38 33.00 2pku s VAL 50 CO 0.02 -0.11 0.37 0.00 0.00 0.00 0.00 175.10 175.38 2pku n GLN 51 N -1.46 0.38 -1.97 2.72 10.64 -1.26 -3.40 117.38 123.03 2pku n GLN 51 Ca 0.00 0.14 -0.12 0.00 -1.83 0.00 0.00 57.00 55.20 2pku n GLN 51 Cb 0.60 -1.41 0.05 0.00 -0.86 0.00 0.00 30.24 28.63 2pku n GLN 51 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.06 176.56 2pku n VAL 52 N -1.20 0.00 -4.35 -0.39 0.24 -1.26 -3.94 118.33 107.43 2pku n VAL 52 Ca 0.11 -1.02 -0.31 0.00 -2.04 0.00 0.00 64.34 61.08 2pku n VAL 52 Cb 0.43 -0.87 -0.10 0.00 -1.47 0.00 0.00 33.84 31.83 2pku n VAL 52 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2pku s PHE 53 N -1.27 2.80 0.85 6.34 0.40 -1.26 -5.01 117.98 120.83 2pku s PHE 53 Ca 0.36 -0.11 -0.10 0.00 -0.60 0.00 0.00 56.93 56.47 2pku s PHE 53 Cb -0.03 -1.51 0.11 0.00 0.51 0.00 0.00 43.02 42.10 2pku s PHE 53 CO 0.23 0.39 1.12 -0.51 0.70 0.00 0.00 175.22 177.16 2pku s ASP 54 N -1.85 3.58 -0.87 1.36 1.01 -1.26 -3.11 116.67 115.53 2pku s ASP 54 Ca 0.20 2.03 0.00 0.00 0.71 0.00 0.00 52.55 55.49 2pku s ASP 54 Cb -0.11 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.27 2pku s ASP 54 CO 0.11 -2.66 0.00 0.59 0.21 0.00 0.00 175.17 173.42 2pku n ASN 55 N -3.94 -4.79 -4.82 0.27 3.02 -1.26 -4.99 115.26 98.75 2pku n ASN 55 Ca 0.11 0.20 -0.29 0.00 -0.03 0.00 0.00 54.58 54.57 2pku n ASN 55 Cb 0.52 -3.01 -0.06 0.00 -0.61 0.00 0.00 39.78 36.63 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 -2.04 4.72 0.46 3.41 -4.23 -1.18 -4.97 115.64 111.81 2pku s THR 56 Ca 0.00 -0.76 0.12 0.00 -1.18 0.00 0.00 61.69 59.87 2pku s THR 56 Cb 0.00 -3.32 0.25 0.00 1.34 0.00 0.00 72.50 70.77 2pku s THR 56 CO 0.00 0.07 2.08 1.55 -0.54 0.00 0.00 174.62 177.78 2pku h PRO 57 N 3.00 0.24 -0.09 3.99 0.13 -1.84 0.25 132.00 137.69 2pku h PRO 57 Ca -0.47 -0.02 -0.21 0.00 -0.87 0.00 0.00 66.00 64.43 2pku h PRO 57 Cb 1.17 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2pku h PRO 57 CO 0.67 0.19 -0.81 0.00 -0.23 0.00 0.00 178.00 177.82 2pku h ALA 58 N 1.85 0.40 0.02 -0.56 0.00 -1.75 -2.19 119.26 117.04 2pku h ALA 58 Ca 0.06 -0.63 -0.07 0.00 0.00 0.00 0.00 54.91 54.28 2pku h ALA 58 Cb 0.04 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.81 2pku h ALA 58 CO -0.01 0.73 -0.28 0.00 0.00 0.00 0.00 179.25 179.70 2pku h ALA 59 N 0.71 0.00 -0.16 0.00 0.00 -1.65 -2.65 119.26 115.51 2pku h ALA 59 Ca -0.06 -0.51 0.02 0.00 0.00 0.00 0.00 54.91 54.36 2pku h ALA 59 Cb 1.43 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 2pku h ALA 59 CO 0.15 0.11 0.05 -0.07 0.00 0.00 0.00 179.25 179.49 2pku h LEU 60 N -0.62 0.06 -1.36 0.00 3.38 -0.63 -2.24 115.31 113.91 2pku h LEU 60 Ca -0.04 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2pku h LEU 60 Cb 1.11 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 2pku h LEU 60 CO 0.05 0.06 0.03 -0.78 0.09 0.00 0.00 178.44 177.89 2pku h ASP 61 N 0.13 0.41 -4.13 -0.43 1.82 -1.52 -3.48 116.42 109.23 2pku h ASP 61 Ca 0.07 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 2pku h ASP 61 Cb 0.04 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 39.94 2pku h ASP 61 CO -0.07 0.46 -0.04 0.61 -1.61 0.00 0.00 179.24 178.59 2pku n GLY 62 N -1.02 -0.79 2.01 -0.78 0.00 -0.84 -5.02 105.19 98.75 2pku n GLY 62 Ca 0.01 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.22 0.00 -3.63 2.61 -1.04 -1.22 -5.08 114.28 104.70 2pku n THR 63 Ca 0.01 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.65 2pku n THR 63 Cb 0.46 -0.34 -0.07 0.00 -1.82 0.00 0.00 70.33 68.55 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 5.33 0.00 12.58 -7.23 -1.26 -5.00 120.40 123.08 2pku s VAL 64 Ca 0.00 0.46 -0.00 0.00 -1.81 0.00 0.00 61.98 60.63 2pku s VAL 64 Cb 0.00 -3.57 0.00 0.00 0.56 0.00 0.00 36.38 33.37 2pku s VAL 64 CO 0.00 0.47 0.00 0.00 -0.31 0.00 0.00 175.10 175.26 2pku n ALA 65 N 3.00 -0.01 -1.90 1.32 0.00 -1.26 -4.63 120.51 117.03 2pku n ALA 65 Ca -0.15 -0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.87 2pku n ALA 65 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 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 -1.00 3.23 0.00 0.00 0.00 -1.22 -2.99 121.76 119.78 2pku s ALA 66 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.70 2pku s ALA 66 Cb -0.00 -3.90 0.00 0.00 0.00 0.00 0.00 23.12 19.22 2pku s ALA 66 CO 0.00 -2.04 0.00 0.41 0.00 0.00 0.00 175.76 174.13 2pku n GLY 67 N 4.87 4.39 3.86 0.00 0.00 -1.20 -4.88 105.19 112.23 2pku n GLY 67 Ca 0.21 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 45.07 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 0.00 6.32 -0.25 1.61 1.01 -1.16 -4.44 116.67 119.76 2pku s ASP 68 Ca 0.00 1.48 -0.02 0.00 0.71 0.00 0.00 52.55 54.72 2pku s ASP 68 Cb 0.00 -2.48 0.02 0.00 1.01 0.00 0.00 42.92 41.47 2pku s ASP 68 CO 0.00 -0.80 -0.06 -0.70 0.21 0.00 0.00 175.17 173.82 2pku s GLU 69 N -4.81 2.87 0.52 8.23 2.12 -0.81 -3.18 118.70 123.64 2pku s GLU 69 Ca 0.56 -0.95 -0.20 0.00 0.36 0.00 0.00 54.97 54.74 2pku s GLU 69 Cb -0.11 -3.00 -0.06 0.00 0.26 0.00 0.00 34.13 31.22 2pku s GLU 69 CO 0.47 -0.39 1.13 -1.50 -0.54 0.00 0.00 175.26 174.43 2pku s ILE 70 N 1.34 3.19 -0.18 -3.70 2.07 -1.25 0.39 121.20 123.05 2pku s ILE 70 Ca 0.01 0.77 0.07 0.00 -1.41 0.00 0.00 60.65 60.09 2pku s ILE 70 Cb -0.16 -3.33 0.22 0.00 0.13 0.00 0.00 42.46 39.32 2pku s ILE 70 CO -0.04 -0.13 1.09 1.07 -1.91 0.00 0.00 174.94 175.02 2pku n THR 71 N -1.10 0.00 0.00 4.00 5.66 0.23 -4.78 114.28 118.29 2pku n THR 71 Ca 0.11 -0.54 0.00 0.00 -3.05 0.00 0.00 64.05 60.56 2pku n THR 71 Cb 0.50 0.75 0.00 0.00 -1.55 0.00 0.00 70.33 70.03 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 -0.85 2.34 3.23 1.09 0.00 -1.17 -4.45 105.19 105.38 2pku n GLY 72 Ca -0.12 -0.39 -0.05 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.91 -0.76 -1.85 1.61 0.11 -0.30 -0.83 120.40 116.47 2pku s VAL 73 Ca 0.00 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.10 2pku s VAL 73 Cb 0.00 -0.82 0.00 0.00 -1.53 0.00 0.00 36.38 34.03 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 5.40 -5.70 0.00 3.54 2.85 0.29 -1.45 115.26 120.18 2pku n ASN 74 Ca -0.07 0.12 0.00 0.00 -0.11 0.00 0.00 54.58 54.52 2pku n ASN 74 Cb 0.50 -4.79 0.00 0.00 1.24 0.00 0.00 39.78 36.73 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 -0.88 3.00 3.81 8.20 0.00 -1.26 -4.99 105.19 113.07 2pku n GLY 75 Ca -0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 2pku n GLY 75 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2pku s ARG 76 N -0.18 2.62 -0.06 1.61 3.00 -0.53 -5.05 118.95 120.35 2pku s ARG 76 Ca 0.00 0.91 -0.09 0.00 -1.00 0.00 0.00 55.73 55.55 2pku s ARG 76 Cb 0.00 -1.96 -0.05 0.00 0.00 0.00 0.00 34.95 32.95 2pku s ARG 76 CO 0.00 -1.32 0.23 0.45 0.00 0.00 0.00 175.30 174.66 2pku s SER 77 N -3.76 6.51 -0.01 -2.12 0.15 -1.26 -1.15 113.70 112.06 2pku s SER 77 Ca 0.59 0.60 0.08 0.00 0.70 0.00 0.00 55.95 57.92 2pku s SER 77 Cb -0.15 -2.11 -0.11 0.00 -1.71 0.00 0.00 66.02 61.94 2pku s SER 77 CO 0.55 0.36 0.24 2.30 1.20 0.00 0.00 173.24 177.89 2pku n ILE 78 N 1.74 0.00 -1.64 6.45 -5.35 -1.26 -4.89 119.36 114.41 2pku n ILE 78 Ca -0.17 -0.24 -0.16 0.00 -0.27 0.00 0.00 62.75 61.92 2pku n ILE 78 Cb 0.54 0.60 -0.10 0.00 -1.74 0.00 0.00 39.64 38.94 2pku n ILE 78 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2pku s LYS 79 N -2.21 1.37 0.00 6.28 1.02 -1.26 -1.35 119.74 123.58 2pku s LYS 79 Ca -0.00 -0.29 0.00 0.00 0.02 0.00 0.00 55.97 55.69 2pku s LYS 79 Cb 0.05 -4.96 0.00 0.00 -0.52 0.00 0.00 37.83 32.40 2pku s LYS 79 CO 0.33 -5.16 0.00 0.41 -0.92 0.00 0.00 175.35 170.01 2pku n GLY 80 N 6.28 0.63 3.91 -3.33 0.00 -1.26 -5.15 105.19 106.26 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 2.09 0.73 1.61 1.02 -0.46 -4.87 119.74 119.85 2pku s LYS 81 Ca 0.00 0.02 -0.03 0.00 0.02 0.00 0.00 55.97 55.98 2pku s LYS 81 Cb 0.00 -2.02 0.11 0.00 -0.52 0.00 0.00 37.83 35.40 2pku s LYS 81 CO 0.00 -1.45 1.01 0.99 -0.92 0.00 0.00 175.35 174.98 2pku s THR 82 N -3.46 2.22 0.11 2.17 2.01 -1.26 -4.60 115.64 112.83 2pku s THR 82 Ca 0.61 -0.47 -0.21 0.00 0.31 0.00 0.00 61.69 61.93 2pku s THR 82 Cb -0.11 -2.75 -0.10 0.00 0.01 0.00 0.00 72.50 69.56 2pku s THR 82 CO 0.48 0.00 1.75 0.50 -0.69 0.00 0.00 174.62 176.66 2pku h LYS 83 N -0.60 0.10 -0.72 4.92 3.64 -1.73 -0.26 116.57 121.91 2pku h LYS 83 Ca -0.40 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 58.93 2pku h LYS 83 Cb 1.27 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.04 2pku h LYS 83 CO 0.45 0.06 0.26 -0.39 -2.27 0.00 0.00 179.45 177.56 2pku h VAL 84 N 0.10 1.25 -0.35 2.00 -1.51 -1.93 -0.81 116.25 115.01 2pku h VAL 84 Ca 0.05 -0.84 -0.00 0.00 -1.23 0.00 0.00 66.70 64.67 2pku h VAL 84 Cb 0.02 0.44 -0.02 0.00 -2.13 0.00 0.00 31.29 29.61 2pku h VAL 84 CO -0.04 0.33 0.20 -0.33 -1.23 0.00 0.00 177.57 176.50 2pku h GLU 85 N 1.05 0.48 0.39 5.19 4.39 -1.86 -1.49 114.58 122.73 2pku h GLU 85 Ca 0.24 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 2pku h GLU 85 Cb 0.26 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2pku h GLU 85 CO -0.01 0.38 -0.19 0.28 -1.16 0.00 0.00 179.01 178.31 2pku h VAL 86 N 0.45 0.59 -0.31 3.13 2.07 -0.87 -1.69 116.25 119.62 2pku h VAL 86 Ca 0.12 -0.42 0.07 0.00 0.82 0.00 0.00 66.70 67.29 2pku h VAL 86 Cb 0.03 0.79 -0.08 0.00 -1.52 0.00 0.00 31.29 30.51 2pku h VAL 86 CO -0.02 0.08 -0.35 0.00 0.02 0.00 0.00 177.57 177.29 2pku h ALA 87 N -0.28 -0.30 -0.70 1.67 0.00 -1.12 0.56 119.26 119.08 2pku h ALA 87 Ca -0.05 0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.98 2pku h ALA 87 Cb 0.52 0.72 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 2pku h ALA 87 CO 0.09 -0.78 0.46 0.87 0.00 0.00 0.00 179.25 179.89 2pku h LYS 88 N -0.32 0.73 -0.82 0.00 1.57 -1.31 -1.19 116.57 115.23 2pku h LYS 88 Ca 0.14 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2pku h LYS 88 Cb 0.56 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 2pku h LYS 88 CO -0.49 0.48 0.52 1.98 -0.57 0.00 0.00 179.45 181.38 2pku h MET 89 N 0.75 1.09 -0.08 3.15 4.05 0.06 -0.65 114.93 123.30 2pku h MET 89 Ca 0.30 -0.08 -0.03 0.00 -0.28 0.00 0.00 59.70 59.61 2pku h MET 89 Cb 0.21 -0.24 -0.00 0.00 -0.80 0.00 0.00 31.60 30.77 2pku h MET 89 CO -0.09 0.74 -0.05 0.82 0.23 0.00 0.00 176.91 178.55 2pku h ILE 90 N 1.12 1.34 0.00 1.77 1.08 -0.21 -2.15 117.51 120.46 2pku h ILE 90 Ca 0.30 -1.11 -0.00 0.00 -0.39 0.00 0.00 64.86 63.65 2pku h ILE 90 Cb -0.10 1.91 -0.00 0.00 -3.07 0.00 0.00 36.82 35.56 2pku h ILE 90 CO -0.06 0.31 -0.02 1.56 -0.69 0.00 0.00 178.15 179.25 2pku h GLN 91 N -0.21 0.00 0.17 2.37 4.20 -1.17 -2.83 115.11 117.65 2pku h GLN 91 Ca 0.02 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.46 2pku h GLN 91 Cb 0.52 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.32 2pku h GLN 91 CO 0.01 0.02 -1.23 0.93 -0.67 0.00 0.00 178.83 177.89 2pku h GLU 92 N 0.00 0.37 -5.00 1.46 4.39 -0.94 -3.40 114.58 111.46 2pku h GLU 92 Ca -0.00 -0.62 -0.43 0.00 0.34 0.00 0.00 59.36 58.65 2pku h GLU 92 Cb 0.25 0.23 0.03 0.00 -0.10 0.00 0.00 28.75 29.17 2pku h GLU 92 CO 0.00 1.30 1.33 1.55 -1.16 0.00 0.00 179.01 182.03 2pku n VAL 93 N -3.91 1.17 -1.75 3.13 3.14 -0.82 -4.91 118.33 114.37 2pku n VAL 93 Ca -0.18 -1.12 -0.40 0.00 -2.96 0.00 0.00 64.34 59.67 2pku n VAL 93 Cb 0.95 -2.15 0.01 0.00 -1.06 0.00 0.00 33.84 31.59 2pku n VAL 93 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 2pku n LYS 94 N 7.80 2.28 0.00 1.45 -0.00 -1.26 -4.59 118.16 123.84 2pku n LYS 94 Ca 0.46 0.81 0.00 0.00 -0.00 0.00 0.00 58.31 59.58 2pku n LYS 94 Cb 0.44 -2.59 0.00 0.00 -0.00 0.00 0.00 35.03 32.88 2pku n LYS 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2pku n GLY 95 N 0.60 -0.93 3.57 2.58 0.00 -1.26 -4.87 105.19 104.88 2pku n GLY 95 Ca 0.05 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 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 2.98 -0.17 1.61 -1.05 -1.26 -3.62 118.70 117.19 2pku s GLU 96 Ca 0.00 1.01 -0.25 0.00 -0.15 0.00 0.00 54.97 55.57 2pku s GLU 96 Cb 0.00 -4.29 -0.01 0.00 -0.44 0.00 0.00 34.13 29.39 2pku s GLU 96 CO 0.00 -2.29 0.83 0.08 0.95 0.00 0.00 175.26 174.83 2pku s VAL 97 N 7.97 4.88 -0.40 1.83 1.01 0.29 -4.84 120.40 131.14 2pku s VAL 97 Ca 0.73 1.64 -0.09 0.00 0.00 0.00 0.00 61.98 64.25 2pku s VAL 97 Cb -0.17 -4.14 0.06 0.00 0.00 0.00 0.00 36.38 32.14 2pku s VAL 97 CO 0.27 0.03 0.23 -0.89 0.00 0.00 0.00 175.10 174.74 2pku s THR 98 N 2.15 4.24 -0.17 3.92 2.01 -1.26 1.00 115.64 127.54 2pku s THR 98 Ca 0.38 -1.27 -0.09 0.00 0.31 0.00 0.00 61.69 61.03 2pku s THR 98 Cb -0.17 -3.53 -0.05 0.00 0.01 0.00 0.00 72.50 68.77 2pku s THR 98 CO 0.12 -0.42 0.13 -0.63 -0.69 0.00 0.00 174.62 173.13 2pku s ILE 99 N 1.45 5.37 -0.60 1.82 1.09 -0.37 0.10 121.20 130.06 2pku s ILE 99 Ca 0.02 0.17 -0.17 0.00 -1.10 0.00 0.00 60.65 59.57 2pku s ILE 99 Cb -0.22 -3.40 0.13 0.00 -1.06 0.00 0.00 42.46 37.91 2pku s ILE 99 CO 0.03 0.51 0.62 -1.00 -0.10 0.00 0.00 174.94 175.00 2pku s HIS 100 N -0.17 3.22 0.28 3.97 3.76 -0.01 -1.55 115.29 124.79 2pku s HIS 100 Ca 0.10 -1.27 0.06 0.00 -0.15 0.00 0.00 55.06 53.81 2pku s HIS 100 Cb -0.11 -3.89 -0.02 0.00 1.11 0.00 0.00 32.58 29.66 2pku s HIS 100 CO 0.00 -1.13 0.37 1.52 -0.85 0.00 0.00 174.74 174.66 2pku s TYR 101 N 1.83 3.25 -0.19 1.40 1.13 -0.03 0.76 117.35 125.51 2pku s TYR 101 Ca 0.09 -0.12 -0.01 0.00 -1.41 0.00 0.00 57.07 55.62 2pku s TYR 101 Cb -0.25 -1.71 0.05 0.00 -1.10 0.00 0.00 41.96 38.95 2pku s TYR 101 CO 0.02 0.28 -0.03 -0.80 -2.51 0.00 0.00 175.55 172.51 2pku s ASN 102 N -4.03 3.05 0.06 -0.18 -0.87 0.16 -0.75 114.94 112.38 2pku s ASN 102 Ca 0.38 -0.81 -0.31 0.00 -1.57 0.00 0.00 52.86 50.56 2pku s ASN 102 Cb -0.09 -0.88 -0.07 0.00 -0.02 0.00 0.00 41.25 40.19 2pku s ASN 102 CO 0.29 -0.23 1.39 -0.54 -2.57 0.00 0.00 177.10 175.45 2pku s LYS 103 N 1.64 4.31 0.00 -0.60 1.02 -0.92 -1.93 119.74 123.25 2pku s LYS 103 Ca -0.01 2.01 0.11 0.00 0.02 0.00 0.00 55.97 58.10 2pku s LYS 103 Cb -0.16 -3.42 0.09 0.00 -0.52 0.00 0.00 37.83 33.81 2pku s LYS 103 CO -0.07 -0.50 0.84 1.28 -0.92 0.00 0.00 175.35 175.98