#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pku s MET 4 N 0.00 3.95 0.99 5.56 -1.94 -1.26 -4.33 119.30 122.26 1pku s MET 4 Ca 0.00 -2.19 -0.15 0.00 -1.71 0.00 0.00 55.69 51.63 1pku s MET 4 Cb 0.00 -5.17 0.19 0.00 2.01 0.00 0.00 34.83 31.86 1pku s MET 4 CO 0.00 -1.92 1.21 -1.83 -0.01 0.00 0.00 175.02 172.47 1pku s GLU 5 N 2.65 0.48 0.21 2.03 -1.05 -1.23 -4.69 118.70 117.11 1pku s GLU 5 Ca 0.44 -0.07 0.06 0.00 -0.15 0.00 0.00 54.97 55.24 1pku s GLU 5 Cb -0.01 -1.80 -0.05 0.00 -0.44 0.00 0.00 34.13 31.83 1pku s GLU 5 CO -0.00 -2.57 -0.08 -0.65 0.95 0.00 0.00 175.26 172.90 1pku s GLN 6 N -5.57 1.31 -0.04 -4.83 -0.21 -1.26 -2.07 119.66 106.99 1pku s GLN 6 Ca 0.69 -1.61 -0.08 0.00 0.02 0.00 0.00 55.36 54.38 1pku s GLN 6 Cb -0.09 -0.89 0.01 0.00 1.00 0.00 0.00 33.01 33.04 1pku s GLN 6 CO 0.53 0.06 0.18 0.45 -2.12 0.00 0.00 175.29 174.40 1pku s SER 7 N -3.30 -0.10 -0.29 5.90 0.15 -0.18 -4.68 113.70 111.19 1pku s SER 7 Ca 0.24 0.11 -0.24 0.00 0.70 0.00 0.00 55.95 56.75 1pku s SER 7 Cb 0.02 0.31 -0.00 0.00 -1.71 0.00 0.00 66.02 64.64 1pku s SER 7 CO 0.07 -0.23 0.82 0.12 1.20 0.00 0.00 173.24 175.21 1pku s PHE 8 N -0.67 3.23 -0.12 3.44 5.36 -1.26 -1.89 117.98 126.07 1pku s PHE 8 Ca -0.08 0.93 0.02 0.00 -0.96 0.00 0.00 56.93 56.85 1pku s PHE 8 Cb -0.04 -3.19 -0.00 0.00 -0.34 0.00 0.00 43.02 39.44 1pku s PHE 8 CO 0.01 -0.53 -0.20 0.42 -1.46 0.00 0.00 175.22 173.47 1pku s ILE 9 N 2.96 2.35 -0.08 3.12 -1.09 0.18 -1.97 121.20 126.67 1pku s ILE 9 Ca 0.34 -0.90 0.02 0.00 -2.23 0.00 0.00 60.65 57.88 1pku s ILE 9 Cb -0.14 -1.94 0.01 0.00 -1.58 0.00 0.00 42.46 38.81 1pku s ILE 9 CO 0.11 0.54 -0.13 -0.32 -1.23 0.00 0.00 174.94 173.91 1pku s MET 10 N 0.54 1.88 -0.48 2.79 -2.45 -0.15 -0.05 119.30 121.38 1pku s MET 10 Ca -0.12 -0.47 -0.24 0.00 -1.25 0.00 0.00 55.69 53.61 1pku s MET 10 Cb -0.17 -1.55 0.03 0.00 1.25 0.00 0.00 34.83 34.39 1pku s MET 10 CO 0.04 0.02 0.85 0.42 1.05 0.00 0.00 175.02 177.40 1pku s ILE 11 N 0.72 4.56 1.05 10.11 1.01 -0.86 -1.63 121.20 136.16 1pku s ILE 11 Ca -0.13 0.42 -0.12 0.00 0.00 0.00 0.00 60.65 60.82 1pku s ILE 11 Cb -0.16 -4.40 0.22 0.00 0.01 0.00 0.00 42.46 38.14 1pku s ILE 11 CO 0.03 -0.84 1.08 -0.54 0.00 0.00 0.00 174.94 174.66 1pku s LYS 12 N 3.52 -0.07 0.27 2.79 1.02 0.10 -2.16 119.74 125.21 1pku s LYS 12 Ca 0.31 1.11 -0.02 0.00 0.02 0.00 0.00 55.97 57.39 1pku s LYS 12 Cb -0.12 -1.63 0.59 0.00 -0.52 0.00 0.00 37.83 36.15 1pku s LYS 12 CO 0.22 -3.23 1.65 -1.35 -0.92 0.00 0.00 175.35 171.72 1pku h PRO 13 N -2.28 0.18 -0.56 -1.68 0.11 -1.81 0.00 132.00 125.97 1pku h PRO 13 Ca -0.54 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.54 1pku h PRO 13 Cb 1.31 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 1pku h PRO 13 CO 0.47 0.12 0.26 0.38 -0.21 0.00 0.00 178.00 179.02 1pku h ASP 14 N 0.19 0.71 -0.12 -2.05 2.03 -1.89 -1.87 116.42 113.42 1pku h ASP 14 Ca 0.49 -0.07 -0.03 0.00 -0.73 0.00 0.00 57.03 56.69 1pku h ASP 14 Cb 0.94 -0.18 -0.01 0.00 -0.83 0.00 0.00 39.33 39.24 1pku h ASP 14 CO -0.64 0.61 -0.01 1.23 -1.03 0.00 0.00 179.24 179.40 1pku h GLY 15 N 0.89 0.35 0.55 7.15 0.00 -1.15 -1.59 103.07 109.26 1pku h GLY 15 Ca 0.19 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 1pku h GLY 15 CO -0.02 0.17 -0.16 -2.08 0.00 0.00 0.00 176.54 174.45 1pku h VAL 16 N 0.32 1.45 -0.75 4.60 2.07 -1.16 -2.17 116.25 120.62 1pku h VAL 16 Ca 0.07 -1.57 0.06 0.00 0.82 0.00 0.00 66.70 66.08 1pku h VAL 16 Cb 0.23 2.36 -0.06 0.00 -1.52 0.00 0.00 31.29 32.31 1pku h VAL 16 CO 0.01 0.43 0.44 1.56 0.02 0.00 0.00 177.57 180.03 1pku h GLN 17 N -0.35 0.77 0.00 1.57 1.08 -1.20 -2.40 115.11 114.58 1pku h GLN 17 Ca -0.01 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1pku h GLN 17 Cb 0.79 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 1pku h GLN 17 CO 0.03 0.51 0.00 0.54 -0.95 0.00 0.00 178.83 178.97 1pku n ARG 18 N -4.72 0.75 -2.24 1.46 1.74 -0.62 -4.90 116.66 108.12 1pku n ARG 18 Ca 0.10 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.12 1pku n ARG 18 Cb 0.18 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 1pku n ARG 18 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pku n GLY 19 N 0.54 0.21 1.30 -0.13 0.00 -0.90 -4.98 105.19 101.23 1pku n GLY 19 Ca 0.18 -0.60 0.11 0.00 0.00 0.00 0.00 46.02 45.71 1pku n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pku n LEU 20 N -1.00 3.88 -0.29 0.99 4.77 -0.82 -4.50 117.00 120.03 1pku n LEU 20 Ca -0.05 -1.98 -0.05 0.00 -0.03 0.00 0.00 56.01 53.90 1pku n LEU 20 Cb 0.55 -0.46 0.07 0.00 -2.33 0.00 0.00 43.42 41.24 1pku n LEU 20 CO 0.10 0.96 1.13 0.40 -1.33 0.00 0.00 177.39 178.65 1pku h ILE 21 N 4.17 1.24 0.48 -0.08 2.04 -1.88 -2.28 117.51 121.20 1pku h ILE 21 Ca 0.00 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 1pku h ILE 21 Cb 0.98 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1pku h ILE 21 CO 0.00 0.27 -0.23 1.23 0.00 0.00 0.00 178.15 179.42 1pku h GLY 22 N 1.11 -0.67 -0.63 5.37 0.00 -1.96 -2.50 103.07 103.79 1pku h GLY 22 Ca 0.28 0.25 0.06 0.00 0.00 0.00 0.00 47.33 47.92 1pku h GLY 22 CO -0.04 -0.24 -0.43 -0.55 0.00 0.00 0.00 176.54 175.27 1pku h ASP 23 N -1.04 -1.54 -0.32 0.19 3.32 -1.82 -0.91 116.42 114.30 1pku h ASP 23 Ca -0.07 0.23 0.07 0.00 0.02 0.00 0.00 57.03 57.28 1pku h ASP 23 Cb 0.58 0.67 -0.08 0.00 0.22 0.00 0.00 39.33 40.72 1pku h ASP 23 CO 0.11 -0.20 -0.22 0.40 -1.72 0.00 0.00 179.24 177.60 1pku h ILE 24 N -0.07 0.40 -0.08 0.35 2.04 -1.49 -1.31 117.51 117.34 1pku h ILE 24 Ca 0.10 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.00 1pku h ILE 24 Cb 0.34 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 36.77 1pku h ILE 24 CO -0.63 0.00 -0.19 0.40 0.00 0.00 0.00 178.15 177.73 1pku h ILE 25 N -0.19 0.52 -0.75 -0.67 2.04 -0.87 -1.45 117.51 116.14 1pku h ILE 25 Ca 0.16 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.17 1pku h ILE 25 Cb 0.45 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 1pku h ILE 25 CO -0.43 0.00 0.50 0.28 0.00 0.00 0.00 178.15 178.50 1pku h SER 26 N -0.27 0.38 0.12 1.72 0.02 -0.67 -0.32 113.55 114.54 1pku h SER 26 Ca 0.08 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1pku h SER 26 Cb 0.39 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1pku h SER 26 CO -0.23 0.20 -0.06 -0.09 -1.14 0.00 0.00 176.83 175.50 1pku h ARG 27 N 0.41 -0.16 -0.55 3.45 2.43 -0.17 -1.01 114.38 118.78 1pku h ARG 27 Ca 0.37 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.50 1pku h ARG 27 Cb 0.86 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.43 1pku h ARG 27 CO -0.12 -0.07 0.13 0.74 -1.51 0.00 0.00 179.97 179.14 1pku h PHE 28 N -0.21 0.92 -0.57 2.20 -1.00 -0.87 -1.75 116.94 115.67 1pku h PHE 28 Ca -0.02 -0.11 0.02 0.00 2.81 0.00 0.00 57.97 60.67 1pku h PHE 28 Cb 0.16 -0.26 -0.03 0.00 3.61 0.00 0.00 35.95 39.43 1pku h PHE 28 CO -0.06 0.80 0.35 0.93 -1.61 0.00 0.00 178.31 178.73 1pku h GLU 29 N 0.78 0.68 -0.70 1.51 5.08 -1.04 -2.67 114.58 118.23 1pku h GLU 29 Ca 0.17 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1pku h GLU 29 Cb 0.35 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 1pku h GLU 29 CO 0.00 0.45 0.42 -0.22 -1.00 0.00 0.00 179.01 178.67 1pku h LYS 30 N 0.71 0.95 -0.89 2.33 3.64 -0.97 -2.42 116.57 119.91 1pku h LYS 30 Ca 0.22 -0.09 0.13 0.00 -1.27 0.00 0.00 60.65 59.65 1pku h LYS 30 Cb -0.00 -0.20 -0.07 0.00 -0.41 0.00 0.00 32.23 31.55 1pku h LYS 30 CO -0.09 0.67 0.57 -0.22 -2.27 0.00 0.00 179.45 178.12 1pku h LYS 31 N 0.95 0.74 0.00 1.90 1.63 -0.97 -3.45 116.57 117.36 1pku h LYS 31 Ca 0.25 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.01 1pku h LYS 31 Cb -0.03 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.43 1pku h LYS 31 CO -0.05 0.49 0.00 0.41 -3.45 0.00 0.00 179.45 176.85 1pku n GLY 32 N -1.42 1.48 3.88 5.01 0.00 -0.91 -5.12 105.19 108.12 1pku n GLY 32 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1pku n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pku s PHE 33 N -2.00 3.56 -0.12 1.61 0.08 -1.16 -4.96 117.98 115.00 1pku s PHE 33 Ca 0.00 1.07 -0.02 0.00 0.12 0.00 0.00 56.93 58.11 1pku s PHE 33 Cb 0.00 -2.51 -0.03 0.00 -0.57 0.00 0.00 43.02 39.91 1pku s PHE 33 CO 0.00 -0.40 -0.06 0.71 -0.10 0.00 0.00 175.22 175.38 1pku s TYR 34 N -2.82 2.98 0.25 0.36 2.02 0.01 -4.59 117.35 115.57 1pku s TYR 34 Ca 0.52 -0.18 -0.30 0.00 -0.37 0.00 0.00 57.07 56.74 1pku s TYR 34 Cb -0.10 -1.84 -0.09 0.00 -0.40 0.00 0.00 41.96 39.52 1pku s TYR 34 CO 0.44 0.12 1.04 -1.17 -1.57 0.00 0.00 175.55 174.41 1pku s LEU 35 N -0.16 4.58 0.00 -1.29 0.20 -1.26 -0.38 118.68 120.37 1pku s LEU 35 Ca 0.02 2.12 0.00 0.00 0.69 0.00 0.00 54.13 56.97 1pku s LEU 35 Cb -0.13 -3.62 0.00 0.00 -0.43 0.00 0.00 46.19 42.01 1pku s LEU 35 CO 0.03 -0.04 0.00 0.54 -0.29 0.00 0.00 176.35 176.58 1pku n ARG 36 N 1.48 1.43 -3.64 1.98 5.12 -0.12 -4.91 116.66 118.01 1pku n ARG 36 Ca -0.01 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.89 1pku n ARG 36 Cb 0.46 -0.91 -0.06 0.00 -1.16 0.00 0.00 32.46 30.78 1pku n ARG 36 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1pku s GLY 37 N -1.79 0.06 -0.08 -0.13 0.00 -1.15 -0.63 107.32 103.60 1pku s GLY 37 Ca 0.00 3.21 -0.08 0.00 0.00 0.00 0.00 44.72 47.84 1pku s GLY 37 CO 0.00 2.63 0.23 -0.29 0.00 0.00 0.00 173.10 175.67 1pku s MET 38 N 1.34 0.31 -0.27 2.90 0.00 -1.26 0.63 119.30 122.95 1pku s MET 38 Ca -0.09 0.24 -0.24 0.00 0.00 0.00 0.00 55.69 55.60 1pku s MET 38 Cb -0.04 0.15 0.07 0.00 0.00 0.00 0.00 34.83 35.02 1pku s MET 38 CO -0.14 -0.05 0.73 -1.59 0.00 0.00 0.00 175.02 173.97 1pku s LYS 39 N -0.07 0.81 -0.01 4.11 -2.85 -0.18 -5.00 119.74 116.55 1pku s LYS 39 Ca -0.02 1.00 -0.22 0.00 -1.00 0.00 0.00 55.97 55.73 1pku s LYS 39 Cb -0.02 0.37 -0.05 0.00 -2.06 0.00 0.00 37.83 36.07 1pku s LYS 39 CO 0.01 -0.10 0.66 0.12 0.10 0.00 0.00 175.35 176.13 1pku s PHE 40 N 0.50 3.67 0.00 1.78 5.36 -1.26 -1.31 117.98 126.72 1pku s PHE 40 Ca -0.01 1.27 -0.29 0.00 -0.96 0.00 0.00 56.93 56.95 1pku s PHE 40 Cb -0.05 -2.71 0.10 0.00 -0.34 0.00 0.00 43.02 40.02 1pku s PHE 40 CO -0.02 0.26 0.92 0.00 -1.46 0.00 0.00 175.22 174.92 1pku s MET 41 N 0.10 0.83 0.03 10.12 0.23 -0.76 -5.00 119.30 124.86 1pku s MET 41 Ca 0.34 -0.33 -0.04 0.00 -1.03 0.00 0.00 55.69 54.63 1pku s MET 41 Cb -0.19 0.37 -0.05 0.00 -1.53 0.00 0.00 34.83 33.44 1pku s MET 41 CO 0.19 -0.37 0.25 -0.80 -2.03 0.00 0.00 175.02 172.26 1pku s ASN 42 N -2.53 6.44 -0.13 -1.18 0.02 -1.26 -0.61 114.94 115.70 1pku s ASN 42 Ca 0.06 0.47 -0.01 0.00 -1.02 0.00 0.00 52.86 52.36 1pku s ASN 42 Cb -0.01 -2.05 -0.02 0.00 0.02 0.00 0.00 41.25 39.19 1pku s ASN 42 CO -0.07 0.22 -0.09 -0.69 0.02 0.00 0.00 177.10 176.49 1pku s VAL 43 N -1.38 3.47 0.56 1.60 1.01 -1.26 -4.99 120.40 119.40 1pku s VAL 43 Ca 0.30 -0.52 -0.09 0.00 0.00 0.00 0.00 61.98 61.67 1pku s VAL 43 Cb -0.13 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 1pku s VAL 43 CO 0.20 0.53 0.94 -1.61 0.00 0.00 0.00 175.10 175.15 1pku s GLU 44 N 0.15 3.61 0.27 2.72 2.02 -1.26 -4.52 118.70 121.68 1pku s GLU 44 Ca -0.04 0.57 -0.04 0.00 0.02 0.00 0.00 54.97 55.48 1pku s GLU 44 Cb -0.14 -2.19 0.33 0.00 0.10 0.00 0.00 34.13 32.22 1pku s GLU 44 CO 0.04 -0.41 1.91 -0.09 0.02 0.00 0.00 175.26 176.72 1pku h ARG 45 N -0.00 1.15 -0.07 1.61 2.43 -1.98 -1.67 114.38 115.86 1pku h ARG 45 Ca -0.45 -0.11 0.04 0.00 -0.81 0.00 0.00 59.98 58.64 1pku h ARG 45 Cb 1.19 -0.24 -0.05 0.00 -0.42 0.00 0.00 29.97 30.46 1pku h ARG 45 CO 0.62 0.82 -0.23 1.03 -1.51 0.00 0.00 179.97 180.70 1pku h SER 46 N 1.17 -0.69 0.16 -3.80 0.87 -2.00 -1.00 113.55 108.26 1pku h SER 46 Ca 0.30 0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.96 1pku h SER 46 Cb -0.03 0.30 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1pku h SER 46 CO -0.05 -0.29 -0.08 0.15 -0.53 0.00 0.00 176.83 176.03 1pku h PHE 47 N -0.33 -0.20 -0.97 2.24 3.04 -1.91 -2.38 116.94 116.43 1pku h PHE 47 Ca 0.08 -0.00 0.28 0.00 3.98 0.00 0.00 57.97 62.31 1pku h PHE 47 Cb 0.44 0.06 -0.04 0.00 2.56 0.00 0.00 35.95 38.98 1pku h PHE 47 CO -0.30 0.00 0.69 0.00 -2.02 0.00 0.00 178.31 176.69 1pku h ALA 48 N 0.45 2.90 0.03 2.41 0.00 -1.11 0.46 119.26 124.40 1pku h ALA 48 Ca -0.02 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.61 1pku h ALA 48 Cb 0.29 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1pku h ALA 48 CO 0.04 -1.18 -1.03 1.96 0.00 0.00 0.00 179.25 179.04 1pku h GLN 49 N 0.01 0.42 -0.55 0.00 4.20 -0.69 -2.84 115.11 115.66 1pku h GLN 49 Ca 0.46 -0.50 -0.11 0.00 0.06 0.00 0.00 58.65 58.56 1pku h GLN 49 Cb 1.83 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 29.75 1pku h GLN 49 CO -0.01 1.16 -0.07 1.96 -0.67 0.00 0.00 178.83 181.20 1pku h GLN 50 N 0.22 1.01 -0.79 1.46 4.20 0.25 -0.22 115.11 121.23 1pku h GLN 50 Ca -0.10 -0.35 -0.05 0.00 0.06 0.00 0.00 58.65 58.21 1pku h GLN 50 Cb 1.68 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 29.35 1pku h GLN 50 CO 0.18 1.03 0.31 1.25 -0.67 0.00 0.00 178.83 180.93 1pku h HIS 51 N 0.91 1.21 -0.58 2.96 2.76 -1.22 -2.70 115.15 118.49 1pku h HIS 51 Ca 0.15 -0.09 -0.11 0.00 -2.20 0.00 0.00 60.37 58.12 1pku h HIS 51 Cb 0.63 -0.36 -0.07 0.00 1.55 0.00 0.00 27.41 29.16 1pku h HIS 51 CO 0.04 0.92 0.12 0.66 -1.30 0.00 0.00 177.93 178.37 1pku n TYR 52 N -4.27 1.99 -0.32 5.26 4.01 -1.07 -4.59 117.16 118.16 1pku n TYR 52 Ca 0.07 -1.03 0.06 0.00 -0.16 0.00 0.00 57.90 56.84 1pku n TYR 52 Cb 0.19 -0.56 0.21 0.00 -0.31 0.00 0.00 39.34 38.88 1pku n TYR 52 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1pku h ALA 53 N 2.81 1.36 0.00 -0.72 0.00 -0.68 -0.33 119.26 121.69 1pku h ALA 53 Ca 0.13 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1pku h ALA 53 Cb 2.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1pku h ALA 53 CO 0.55 0.11 0.13 -0.25 0.00 0.00 0.00 179.25 179.79 1pku n ASP 54 N -4.72 0.07 -0.04 0.00 8.00 -1.26 -0.75 116.55 117.85 1pku n ASP 54 Ca 0.17 0.42 0.02 0.00 0.71 0.00 0.00 54.79 56.10 1pku n ASP 54 Cb 0.35 -0.42 0.02 0.00 -0.02 0.00 0.00 41.12 41.05 1pku n ASP 54 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1pku n LEU 55 N -1.50 1.50 -0.10 0.64 4.77 -0.14 -4.76 117.00 117.42 1pku n LEU 55 Ca -0.00 -1.67 0.23 0.00 -0.03 0.00 0.00 56.01 54.53 1pku n LEU 55 Cb 0.14 -0.07 0.67 0.00 -2.33 0.00 0.00 43.42 41.83 1pku n LEU 55 CO 0.01 0.41 1.22 0.77 -1.33 0.00 0.00 177.39 178.47 1pku h SER 56 N 0.00 0.06 -0.53 -1.43 4.64 -0.84 -0.57 113.55 114.88 1pku h SER 56 Ca 0.00 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.07 1pku h SER 56 Cb 0.74 -0.01 -0.15 0.00 -0.31 0.00 0.00 62.40 62.66 1pku h SER 56 CO 0.00 0.03 0.33 0.47 -0.87 0.00 0.00 176.83 176.79 1pku n ASP 57 N -4.36 3.43 -4.19 4.97 8.00 -1.26 -4.87 116.55 118.28 1pku n ASP 57 Ca 0.14 -2.85 -0.25 0.00 0.71 0.00 0.00 54.79 52.54 1pku n ASP 57 Cb 0.73 -0.68 -0.15 0.00 -0.02 0.00 0.00 41.12 41.01 1pku n ASP 57 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1pku s LYS 58 N -1.83 1.39 0.39 -1.24 -0.14 -0.22 -5.05 119.74 113.03 1pku s LYS 58 Ca 0.31 -0.72 0.16 0.00 -1.36 0.00 0.00 55.97 54.36 1pku s LYS 58 Cb 0.26 -1.38 1.02 0.00 -1.68 0.00 0.00 37.83 36.06 1pku s LYS 58 CO 0.06 0.37 1.82 -1.35 -0.76 0.00 0.00 175.35 175.50 1pku h PRO 59 N 5.44 0.46 -0.00 -1.68 0.11 -1.89 -0.69 132.00 133.74 1pku h PRO 59 Ca -0.38 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1pku h PRO 59 Cb 1.15 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1pku h PRO 59 CO 0.47 0.30 -0.03 1.97 -0.21 0.00 0.00 178.00 180.51 1pku n PHE 60 N -4.57 0.00 0.03 0.65 1.16 -1.26 -4.25 117.46 109.22 1pku n PHE 60 Ca 0.21 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.69 1pku n PHE 60 Cb 0.71 -0.09 -0.04 0.00 -1.61 0.00 0.00 39.48 38.45 1pku n PHE 60 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1pku h PHE 61 N 0.45 -0.69 -0.37 2.97 3.57 -1.35 -2.25 116.94 119.27 1pku h PHE 61 Ca 0.00 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.60 1pku h PHE 61 Cb 0.20 0.31 -0.06 0.00 2.79 0.00 0.00 35.95 39.19 1pku h PHE 61 CO 0.00 -0.34 -0.02 -1.35 -2.23 0.00 0.00 178.31 174.36 1pku h PRO 62 N -0.36 0.07 -0.60 6.41 0.11 -1.80 -2.08 132.00 133.76 1pku h PRO 62 Ca 0.08 -0.00 0.12 0.00 0.11 0.00 0.00 66.00 66.31 1pku h PRO 62 Cb 0.48 -0.02 -0.11 0.00 0.11 0.00 0.00 31.00 31.47 1pku h PRO 62 CO -0.27 0.05 -0.05 0.78 -0.21 0.00 0.00 178.00 178.30 1pku h GLY 63 N 0.08 0.57 0.87 -0.55 0.00 -1.72 0.27 103.07 102.58 1pku h GLY 63 Ca 0.18 0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.64 1pku h GLY 63 CO -0.33 -0.21 -0.09 1.41 0.00 0.00 0.00 176.54 177.33 1pku h LEU 64 N 0.07 -0.24 -0.74 3.11 4.07 -0.83 -2.01 115.31 118.74 1pku h LEU 64 Ca 0.30 0.03 0.06 0.00 0.08 0.00 0.00 57.88 58.35 1pku h LEU 64 Cb 0.48 0.09 -0.06 0.00 1.08 0.00 0.00 40.66 42.25 1pku h LEU 64 CO -0.55 -0.14 0.43 0.58 -1.08 0.00 0.00 178.44 177.69 1pku h VAL 65 N -0.19 0.99 0.00 1.22 2.07 -0.75 -0.81 116.25 118.77 1pku h VAL 65 Ca 0.01 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1pku h VAL 65 Cb 0.19 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1pku h VAL 65 CO -0.04 0.14 0.00 1.21 0.02 0.00 0.00 177.57 178.91 1pku n GLU 66 N -4.73 0.18 -0.03 1.57 4.07 0.01 -3.21 120.64 118.51 1pku n GLU 66 Ca 0.10 0.42 -0.04 0.00 -0.06 0.00 0.00 57.16 57.58 1pku n GLU 66 Cb 0.18 -1.85 -0.13 0.00 -0.06 0.00 0.00 31.44 29.58 1pku n GLU 66 CO 0.00 0.00 0.00 0.98 -0.06 0.00 0.00 177.13 178.05 1pku n TYR 67 N -2.19 0.57 1.30 4.31 4.19 -0.34 -3.88 117.16 121.13 1pku n TYR 67 Ca 0.02 0.20 0.14 0.00 3.31 0.00 0.00 57.90 61.57 1pku n TYR 67 Cb 0.22 -1.02 0.61 0.00 0.49 0.00 0.00 39.34 39.64 1pku n TYR 67 CO 0.00 0.00 0.00 -0.89 0.91 0.00 0.00 176.86 176.88 1pku n ILE 68 N -2.81 0.00 0.68 2.97 2.08 -1.06 -3.19 119.36 118.03 1pku n ILE 68 Ca -0.18 -0.03 0.09 0.00 0.56 0.00 0.00 62.75 63.19 1pku n ILE 68 Cb 0.96 -0.24 -0.12 0.00 -0.75 0.00 0.00 39.64 39.49 1pku n ILE 68 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 1pku n ILE 69 N -1.20 0.00 0.22 1.39 5.41 -1.24 -4.35 119.36 119.60 1pku n ILE 69 Ca 0.12 -0.15 0.07 0.00 1.00 0.00 0.00 62.75 63.80 1pku n ILE 69 Cb 0.29 0.77 0.51 0.00 -0.71 0.00 0.00 39.64 40.50 1pku n ILE 69 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1pku h SER 70 N 0.00 0.00 -4.98 4.38 4.64 -1.66 -3.46 113.55 112.47 1pku h SER 70 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1pku h SER 70 Cb 0.56 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.52 1pku h SER 70 CO 0.00 0.25 0.22 -0.83 -0.87 0.00 0.00 176.83 175.60 1pku s GLY 71 N -4.26 -0.61 0.68 -0.77 0.00 -1.26 -5.13 107.32 95.98 1pku s GLY 71 Ca -0.02 0.63 -0.17 0.00 0.00 0.00 0.00 44.72 45.15 1pku s GLY 71 CO 0.66 0.28 1.26 -1.55 0.00 0.00 0.00 173.10 173.75 1pku n PRO 72 N -0.20 0.91 -4.66 2.90 -0.04 -1.26 -4.58 135.00 128.08 1pku n PRO 72 Ca -0.17 0.37 -0.32 0.00 -0.04 0.00 0.00 63.50 63.35 1pku n PRO 72 Cb 0.64 -2.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.53 1pku n PRO 72 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1pku n VAL 73 N -2.20 0.00 -3.77 0.52 0.24 0.22 -4.17 118.33 109.17 1pku n VAL 73 Ca 0.15 -2.42 -0.30 0.00 -2.04 0.00 0.00 64.34 59.74 1pku n VAL 73 Cb 0.48 0.54 -0.15 0.00 -1.47 0.00 0.00 33.84 33.25 1pku n VAL 73 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1pku s VAL 74 N -2.89 1.13 0.12 3.34 1.01 -0.92 -1.83 120.40 120.37 1pku s VAL 74 Ca 0.03 -1.64 -0.30 0.00 0.00 0.00 0.00 61.98 60.08 1pku s VAL 74 Cb 0.00 -1.85 -0.06 0.00 0.00 0.00 0.00 36.38 34.47 1pku s VAL 74 CO 0.02 -0.68 0.95 0.00 0.00 0.00 0.00 175.10 175.39 1pku s ALA 75 N 1.40 3.26 0.00 5.51 0.00 -0.43 -2.02 121.76 129.48 1pku s ALA 75 Ca 0.11 0.57 -0.06 0.00 0.00 0.00 0.00 51.96 52.58 1pku s ALA 75 Cb -0.18 -3.26 -0.00 0.00 0.00 0.00 0.00 23.12 19.67 1pku s ALA 75 CO -0.20 -0.01 0.10 -1.64 0.00 0.00 0.00 175.76 174.01 1pku s MET 76 N -0.08 0.44 -0.17 0.00 -1.94 0.93 -1.01 119.30 117.47 1pku s MET 76 Ca 0.46 -0.42 0.01 0.00 -1.71 0.00 0.00 55.69 54.03 1pku s MET 76 Cb -0.23 0.18 0.02 0.00 2.01 0.00 0.00 34.83 36.81 1pku s MET 76 CO 0.30 -0.10 -0.16 0.08 -0.01 0.00 0.00 175.02 175.13 1pku s VAL 77 N -1.34 1.78 0.03 -6.03 1.01 0.20 0.49 120.40 116.54 1pku s VAL 77 Ca -0.14 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.10 1pku s VAL 77 Cb -0.08 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 1pku s VAL 77 CO 0.01 0.47 -0.14 0.26 0.00 0.00 0.00 175.10 175.70 1pku s TRP 78 N 1.40 2.67 -0.06 5.22 0.52 -0.79 -0.94 118.94 126.96 1pku s TRP 78 Ca 0.04 -0.18 0.03 0.00 0.02 0.00 0.00 56.10 56.01 1pku s TRP 78 Cb -0.13 -1.51 0.01 0.00 -1.15 0.00 0.00 33.47 30.69 1pku s TRP 78 CO -0.11 0.30 -0.14 -2.00 0.02 0.00 0.00 176.95 175.01 1pku s GLU 79 N -1.46 1.75 0.00 4.98 2.12 0.49 -1.01 118.70 125.57 1pku s GLU 79 Ca 0.16 -0.49 0.00 0.00 0.36 0.00 0.00 54.97 55.00 1pku s GLU 79 Cb -0.11 -1.46 0.00 0.00 0.26 0.00 0.00 34.13 32.82 1pku s GLU 79 CO 0.06 0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.30 1pku n GLY 80 N 3.57 0.54 3.67 -1.50 0.00 -0.88 -0.80 105.19 109.78 1pku n GLY 80 Ca -0.21 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 1pku n GLY 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pku s LYS 81 N -2.00 4.16 -1.50 1.61 2.20 -1.26 -2.25 119.74 120.70 1pku s LYS 81 Ca 0.00 2.45 -0.01 0.00 -0.36 0.00 0.00 55.97 58.05 1pku s LYS 81 Cb 0.00 -3.85 0.00 0.00 -1.51 0.00 0.00 37.83 32.47 1pku s LYS 81 CO 0.00 -0.85 0.12 -3.47 -0.36 0.00 0.00 175.35 170.79 1pku n ASP 82 N 6.53 -5.31 -0.08 1.43 2.03 -1.26 -4.92 116.55 114.98 1pku n ASP 82 Ca 0.18 -0.07 -0.07 0.00 0.52 0.00 0.00 54.79 55.35 1pku n ASP 82 Cb 0.41 -4.33 -0.00 0.00 -0.72 0.00 0.00 41.12 36.48 1pku n ASP 82 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1pku h VAL 83 N -0.26 0.82 0.06 5.18 2.07 -1.75 -1.03 116.25 121.34 1pku h VAL 83 Ca -0.43 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.07 1pku h VAL 83 Cb 1.32 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.73 1pku h VAL 83 CO 0.50 0.02 -0.35 0.58 0.02 0.00 0.00 177.57 178.34 1pku h VAL 84 N 0.12 0.26 -0.39 2.57 2.07 -1.87 2.44 116.25 121.46 1pku h VAL 84 Ca 0.14 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.50 1pku h VAL 84 Cb 0.17 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1pku h VAL 84 CO -0.21 0.00 -0.38 0.00 0.02 0.00 0.00 177.57 177.00 1pku h ALA 85 N 0.10 0.59 0.00 1.67 0.00 -1.85 -2.16 119.26 117.61 1pku h ALA 85 Ca 0.04 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1pku h ALA 85 Cb 0.60 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1pku h ALA 85 CO -0.25 0.68 -0.22 1.79 0.00 0.00 0.00 179.25 181.25 1pku h THR 86 N 0.76 0.39 -0.57 0.00 1.35 -0.96 -1.87 112.91 112.01 1pku h THR 86 Ca 0.06 -1.48 -0.08 0.00 -0.55 0.00 0.00 66.41 64.36 1pku h THR 86 Cb 0.97 2.14 -0.02 0.00 -1.73 0.00 0.00 68.15 69.50 1pku h THR 86 CO 0.09 0.21 0.04 1.23 -0.25 0.00 0.00 175.52 176.85 1pku h GLY 87 N 3.58 1.01 0.81 5.82 0.00 0.43 0.23 103.07 114.96 1pku h GLY 87 Ca -0.00 -0.68 -0.03 0.00 0.00 0.00 0.00 47.33 46.62 1pku h GLY 87 CO 0.03 0.63 0.01 3.21 0.00 0.00 0.00 176.54 180.42 1pku h ARG 88 N 0.88 0.31 -0.34 4.80 2.47 -1.03 -0.98 114.38 120.49 1pku h ARG 88 Ca 0.17 -0.09 -0.05 0.00 -1.26 0.00 0.00 59.98 58.75 1pku h ARG 88 Cb 0.45 -0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.73 1pku h ARG 88 CO 0.02 0.51 -0.00 0.00 0.56 0.00 0.00 179.97 181.05 1pku h ARG 89 N 0.07 0.52 -0.33 0.04 3.08 -1.09 -1.81 114.38 114.87 1pku h ARG 89 Ca 0.05 -0.11 -0.10 0.00 0.07 0.00 0.00 59.98 59.89 1pku h ARG 89 Cb 0.36 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1pku h ARG 89 CO 0.01 0.55 -0.20 0.82 -1.07 0.00 0.00 179.97 180.08 1pku h ILE 90 N 0.50 1.29 -0.66 2.04 2.04 -0.30 -3.15 117.51 119.27 1pku h ILE 90 Ca 0.11 -1.33 -0.06 0.00 1.00 0.00 0.00 64.86 64.58 1pku h ILE 90 Cb 0.33 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 1pku h ILE 90 CO 0.01 0.43 0.17 0.40 0.00 0.00 0.00 178.15 179.16 1pku h ILE 91 N 0.48 1.26 0.00 -0.67 2.04 -0.95 0.31 117.51 119.97 1pku h ILE 91 Ca 0.07 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 65.00 1pku h ILE 91 Cb 0.75 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1pku h ILE 91 CO 0.06 0.35 0.00 0.61 0.00 0.00 0.00 178.15 179.17 1pku n GLY 92 N -0.67 1.48 3.40 5.37 0.00 -0.70 -0.35 105.19 113.72 1pku n GLY 92 Ca 0.04 -1.96 -0.34 0.00 0.00 0.00 0.00 46.02 43.76 1pku n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pku n ALA 93 N 1.87 -2.45 -0.22 4.61 0.00 -1.26 -4.89 120.51 118.18 1pku n ALA 93 Ca 0.00 -0.47 -0.05 0.00 0.00 0.00 0.00 53.44 52.92 1pku n ALA 93 Cb 0.00 -1.76 0.05 0.00 0.00 0.00 0.00 19.45 17.74 1pku n ALA 93 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1pku h THR 94 N -1.06 1.12 -3.45 0.00 2.02 -1.95 -3.39 112.91 106.20 1pku h THR 94 Ca -0.44 -0.27 -0.60 0.00 0.77 0.00 0.00 66.41 65.86 1pku h THR 94 Cb 1.31 0.25 -0.10 0.00 -1.74 0.00 0.00 68.15 67.87 1pku h THR 94 CO 0.36 0.15 0.45 -0.13 0.37 0.00 0.00 175.52 176.72 1pku s ARG 95 N -6.14 3.91 0.36 6.66 0.52 -1.26 -4.54 118.95 118.46 1pku s ARG 95 Ca -0.13 0.56 0.13 0.00 -0.52 0.00 0.00 55.73 55.77 1pku s ARG 95 Cb 0.14 -3.76 0.96 0.00 0.52 0.00 0.00 34.95 32.81 1pku s ARG 95 CO 0.76 -0.77 1.77 -1.35 0.02 0.00 0.00 175.30 175.73 1pku h PRO 96 N 8.24 0.52 0.00 3.54 0.11 -1.79 0.24 132.00 142.85 1pku h PRO 96 Ca -0.24 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1pku h PRO 96 Cb 1.09 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1pku h PRO 96 CO 0.91 0.34 0.00 -2.67 -0.21 0.00 0.00 178.00 176.38 1pku n TRP 97 N -4.71 0.00 -0.06 0.65 4.27 -1.26 -2.63 117.44 113.70 1pku n TRP 97 Ca 0.25 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.86 1pku n TRP 97 Cb 0.75 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.70 1pku n TRP 97 CO 0.00 0.00 0.00 0.39 -2.29 0.00 0.00 177.69 175.79 1pku n GLU 98 N -0.96 1.48 -2.29 -2.67 1.02 0.78 -5.04 120.64 112.97 1pku n GLU 98 Ca 0.17 -0.31 -0.34 0.00 -0.02 0.00 0.00 57.16 56.66 1pku n GLU 98 Cb 0.08 -0.79 -0.01 0.00 -0.02 0.00 0.00 31.44 30.70 1pku n GLU 98 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pku s ALA 99 N -0.30 2.78 0.22 0.62 0.00 -0.92 -4.70 121.76 119.46 1pku s ALA 99 Ca 0.00 0.57 -0.25 0.00 0.00 0.00 0.00 51.96 52.28 1pku s ALA 99 Cb 0.00 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 19.77 1pku s ALA 99 CO 0.00 -0.61 0.82 0.00 0.00 0.00 0.00 175.76 175.98 1pku s ALA 100 N -2.12 3.38 0.51 0.00 0.00 -1.26 -4.80 121.76 117.46 1pku s ALA 100 Ca 0.67 0.39 -0.22 0.00 0.00 0.00 0.00 51.96 52.80 1pku s ALA 100 Cb -0.18 -3.01 -0.07 0.00 0.00 0.00 0.00 23.12 19.86 1pku s ALA 100 CO 0.28 0.27 1.18 -2.30 0.00 0.00 0.00 175.76 175.18 1pku n PRO 101 N 1.17 1.50 0.00 0.00 -0.02 -1.26 -1.76 135.00 134.63 1pku n PRO 101 Ca -0.03 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1pku n PRO 101 Cb 0.49 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1pku n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pku n GLY 102 N 0.97 2.88 3.79 -1.23 0.00 -1.26 -5.04 105.19 105.30 1pku n GLY 102 Ca 0.10 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 1pku n GLY 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pku s THR 103 N -2.17 3.56 0.27 2.61 -4.23 -0.72 -4.91 115.64 110.04 1pku s THR 103 Ca 0.00 0.95 -0.01 0.00 -1.18 0.00 0.00 61.69 61.45 1pku s THR 103 Cb 0.00 -3.38 0.25 0.00 1.34 0.00 0.00 72.50 70.71 1pku s THR 103 CO 0.00 -0.24 1.81 0.40 -0.54 0.00 0.00 174.62 176.05 1pku h ILE 104 N 1.31 0.86 -0.01 2.99 2.04 -0.31 -2.14 117.51 122.25 1pku h ILE 104 Ca -0.49 -0.28 -0.19 0.00 1.00 0.00 0.00 64.86 64.89 1pku h ILE 104 Cb 1.24 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1pku h ILE 104 CO 0.58 0.15 -0.83 0.03 0.00 0.00 0.00 178.15 178.08 1pku h ARG 105 N 0.83 0.20 -0.14 2.37 3.08 -0.94 -1.44 114.38 118.34 1pku h ARG 105 Ca 0.46 -0.20 -0.07 0.00 0.07 0.00 0.00 59.98 60.23 1pku h ARG 105 Cb 0.50 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 1pku h ARG 105 CO -0.29 0.92 -0.23 0.00 -1.07 0.00 0.00 179.97 179.30 1pku h ALA 106 N 1.01 1.35 0.00 0.04 0.00 -1.63 -1.66 119.26 118.37 1pku h ALA 106 Ca -0.04 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1pku h ALA 106 Cb 1.44 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1pku h ALA 106 CO 0.13 0.45 -1.05 -0.25 0.00 0.00 0.00 179.25 178.53 1pku n ASP 107 N -4.18 0.87 0.00 0.00 8.00 -0.89 -4.68 116.55 115.68 1pku n ASP 107 Ca -0.01 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.62 1pku n ASP 107 Cb 0.35 1.10 0.00 0.00 -0.02 0.00 0.00 41.12 42.54 1pku n ASP 107 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1pku n TYR 108 N -1.55 0.00 -4.42 1.24 0.53 -0.55 -5.10 117.16 107.32 1pku n TYR 108 Ca 0.03 0.00 -0.22 0.00 -1.02 0.00 0.00 57.90 56.69 1pku n TYR 108 Cb 0.33 0.00 -0.10 0.00 -1.03 0.00 0.00 39.34 38.54 1pku n TYR 108 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1pku s ALA 109 N -0.51 2.42 -0.03 -0.72 0.00 -0.63 -4.95 121.76 117.34 1pku s ALA 109 Ca 0.00 -1.80 -0.01 0.00 0.00 0.00 0.00 51.96 50.15 1pku s ALA 109 Cb 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 1pku s ALA 109 CO 0.00 0.16 -0.03 0.28 0.00 0.00 0.00 175.76 176.17 1pku n VAL 110 N -0.53 0.15 -4.36 0.00 0.31 -1.26 -4.79 118.33 107.85 1pku n VAL 110 Ca -0.06 -0.05 -0.24 0.00 -0.01 0.00 0.00 64.34 63.98 1pku n VAL 110 Cb 0.61 -1.07 -0.09 0.00 -0.91 0.00 0.00 33.84 32.38 1pku n VAL 110 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1pku s GLU 111 N -2.05 2.04 0.17 5.55 2.02 -1.26 -4.49 118.70 120.67 1pku s GLU 111 Ca -0.04 -1.70 -0.09 0.00 0.02 0.00 0.00 54.97 53.16 1pku s GLU 111 Cb 0.01 -1.93 0.05 0.00 0.10 0.00 0.00 34.13 32.36 1pku s GLU 111 CO 0.06 0.21 1.57 0.28 0.02 0.00 0.00 175.26 177.39 1pku h VAL 112 N 1.90 1.27 0.00 2.63 2.07 -1.97 -2.98 116.25 119.18 1pku h VAL 112 Ca -0.43 -1.38 -0.01 0.00 0.82 0.00 0.00 66.70 65.71 1pku h VAL 112 Cb 1.25 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1pku h VAL 112 CO 0.65 0.47 -0.05 1.23 0.02 0.00 0.00 177.57 179.90 1pku h GLY 113 N 0.89 0.00 -5.73 2.17 0.00 -1.96 -3.07 103.07 95.38 1pku h GLY 113 Ca 0.11 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.89 1pku h GLY 113 CO 0.07 0.00 -0.87 0.54 0.00 0.00 0.00 176.54 176.27 1pku n ARG 114 N -3.45 2.11 -0.96 4.80 5.12 -1.13 -4.92 116.66 118.23 1pku n ARG 114 Ca -0.02 -4.16 -0.18 0.00 -1.93 0.00 0.00 57.85 51.56 1pku n ARG 114 Cb 0.17 -1.95 0.15 0.00 -1.16 0.00 0.00 32.46 29.66 1pku n ARG 114 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1pku n ASN 115 N 0.26 3.64 0.00 0.55 6.94 -1.16 -4.41 115.26 121.08 1pku n ASN 115 Ca 0.28 -3.24 0.00 0.00 -0.02 0.00 0.00 54.58 51.60 1pku n ASN 115 Cb 0.50 -0.76 0.00 0.00 -2.36 0.00 0.00 39.78 37.16 1pku n ASN 115 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1pku n VAL 116 N -0.74 0.00 -4.22 3.53 0.31 -1.26 -4.79 118.33 111.15 1pku n VAL 116 Ca 0.46 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.66 1pku n VAL 116 Cb 1.41 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 34.24 1pku n VAL 116 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 1pku s ILE 117 N 0.00 0.21 -0.20 2.52 2.07 -1.26 -0.72 121.20 123.82 1pku s ILE 117 Ca 0.00 -1.98 -0.14 0.00 -1.41 0.00 0.00 60.65 57.12 1pku s ILE 117 Cb 0.00 -2.41 0.06 0.00 0.13 0.00 0.00 42.46 40.24 1pku s ILE 117 CO 0.00 -0.13 0.51 -2.28 -1.91 0.00 0.00 174.94 171.13 1pku s HIS 118 N -4.00 -0.70 0.31 3.50 2.46 -0.65 -4.89 115.29 111.32 1pku s HIS 118 Ca 0.34 1.52 0.09 0.00 0.47 0.00 0.00 55.06 57.49 1pku s HIS 118 Cb 0.07 0.33 -0.06 0.00 -0.13 0.00 0.00 32.58 32.79 1pku s HIS 118 CO 0.10 -0.37 -0.11 0.20 -2.47 0.00 0.00 174.74 172.09 1pku s GLY 119 N 1.09 2.00 0.42 1.59 0.00 -1.26 -0.98 107.32 110.18 1pku s GLY 119 Ca -0.07 -1.98 -0.26 0.00 0.00 0.00 0.00 44.72 42.42 1pku s GLY 119 CO -0.10 -1.96 1.39 -0.56 0.00 0.00 0.00 173.10 171.87 1pku s SER 120 N -3.53 6.10 0.05 1.64 0.01 -0.83 -4.94 113.70 112.20 1pku s SER 120 Ca 0.31 2.84 0.24 0.00 1.31 0.00 0.00 55.95 60.64 1pku s SER 120 Cb 0.01 -2.65 0.24 0.00 0.21 0.00 0.00 66.02 63.83 1pku s SER 120 CO 0.14 -1.01 1.21 -0.90 0.41 0.00 0.00 173.24 173.09 1pku n ASP 121 N 0.02 0.62 -3.84 2.44 3.85 -1.26 -4.77 116.55 113.62 1pku n ASP 121 Ca 0.04 -0.19 -0.09 0.00 -0.71 0.00 0.00 54.79 53.84 1pku n ASP 121 Cb 0.42 0.48 -0.05 0.00 -1.35 0.00 0.00 41.12 40.63 1pku n ASP 121 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 1pku s SER 122 N -3.66 -0.15 0.29 -1.12 1.04 -1.26 -4.91 113.70 103.92 1pku s SER 122 Ca 0.07 -0.65 0.11 0.00 0.48 0.00 0.00 55.95 55.96 1pku s SER 122 Cb 0.15 0.54 0.40 0.00 0.10 0.00 0.00 66.02 67.21 1pku s SER 122 CO 0.75 -1.02 1.63 -0.37 0.98 0.00 0.00 173.24 175.22 1pku h VAL 123 N 2.31 1.41 -0.28 5.02 -1.51 -1.93 0.77 116.25 122.04 1pku h VAL 123 Ca -0.29 -2.03 -0.11 0.00 -1.23 0.00 0.00 66.70 63.04 1pku h VAL 123 Cb 1.25 2.10 -0.00 0.00 -2.13 0.00 0.00 31.29 32.50 1pku h VAL 123 CO 0.40 0.58 -0.26 0.44 -1.23 0.00 0.00 177.57 177.50 1pku h ASP 124 N 0.00 0.71 0.98 4.19 3.32 -1.97 -1.83 116.42 121.82 1pku h ASP 124 Ca -0.01 -0.47 -0.03 0.00 0.02 0.00 0.00 57.03 56.54 1pku h ASP 124 Cb 1.05 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.40 1pku h ASP 124 CO 0.08 1.03 -0.16 0.78 -1.72 0.00 0.00 179.24 179.25 1pku h ASN 125 N 0.40 0.00 0.21 6.45 2.35 -1.91 -2.72 115.58 120.36 1pku h ASN 125 Ca 0.05 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1pku h ASN 125 Cb 0.83 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.20 1pku h ASN 125 CO 0.07 0.16 -0.10 1.23 -1.65 0.00 0.00 177.43 177.14 1pku h GLY 126 N 2.13 -0.29 0.11 2.83 0.00 -0.56 -2.25 103.07 105.05 1pku h GLY 126 Ca -0.00 0.11 0.19 0.00 0.00 0.00 0.00 47.33 47.62 1pku h GLY 126 CO 0.02 -0.10 0.57 0.50 0.00 0.00 0.00 176.54 177.52 1pku h LYS 127 N -0.84 0.69 -0.14 4.80 1.57 -1.29 0.19 116.57 121.55 1pku h LYS 127 Ca -0.03 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1pku h LYS 127 Cb 0.51 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1pku h LYS 127 CO 0.05 0.46 0.02 0.87 -0.57 0.00 0.00 179.45 180.27 1pku h LYS 128 N 0.71 0.24 0.00 3.15 1.57 -1.48 -1.46 116.57 119.30 1pku h LYS 128 Ca 0.56 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 59.19 1pku h LYS 128 Cb 0.88 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 1pku h LYS 128 CO -0.39 0.44 -0.37 0.93 -0.57 0.00 0.00 179.45 179.49 1pku h GLU 129 N 0.01 0.00 -0.31 3.15 5.08 -0.65 -2.13 114.58 119.72 1pku h GLU 129 Ca 0.04 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.24 1pku h GLU 129 Cb 0.32 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1pku h GLU 129 CO 0.00 0.37 -0.45 0.82 -1.00 0.00 0.00 179.01 178.75 1pku h ILE 130 N 0.00 1.28 0.00 3.13 2.04 -0.44 -1.70 117.51 121.82 1pku h ILE 130 Ca -0.00 -1.63 0.00 0.00 1.00 0.00 0.00 64.86 64.22 1pku h ILE 130 Cb 0.73 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.37 1pku h ILE 130 CO 0.05 0.54 0.00 0.00 0.00 0.00 0.00 178.15 178.73 1pku h ALA 131 N 0.71 1.00 0.12 1.87 0.00 -1.13 -1.51 119.26 120.32 1pku h ALA 131 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 1pku h ALA 131 Cb 1.05 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.86 1pku h ALA 131 CO 0.11 0.00 -0.93 1.25 0.00 0.00 0.00 179.25 179.68 1pku h LEU 132 N 0.00 0.40 0.09 0.00 6.46 -1.27 -3.17 115.31 117.82 1pku h LEU 132 Ca 0.00 -0.92 -0.26 0.00 -0.12 0.00 0.00 57.88 56.59 1pku h LEU 132 Cb 0.86 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.66 1pku h LEU 132 CO 0.00 1.43 -1.18 -0.50 -0.62 0.00 0.00 178.44 177.56 1pku h TRP 133 N -0.42 0.33 -2.10 1.25 4.06 -1.38 -3.38 115.95 114.32 1pku h TRP 133 Ca -0.18 -0.24 -0.59 0.00 2.06 0.00 0.00 58.89 59.93 1pku h TRP 133 Cb 1.62 -0.01 -0.42 0.00 -1.00 0.00 0.00 29.16 29.35 1pku h TRP 133 CO 0.18 1.19 -0.63 1.19 -3.56 0.00 0.00 178.44 176.82 1pku n PHE 134 N -3.47 3.88 0.23 0.49 3.01 -0.57 -4.83 117.46 116.21 1pku n PHE 134 Ca -0.06 -3.75 0.14 0.00 1.01 0.00 0.00 57.45 54.78 1pku n PHE 134 Cb 1.00 -0.40 0.77 0.00 -0.01 0.00 0.00 39.48 40.84 1pku n PHE 134 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1pku h PRO 135 N 2.90 0.00 0.00 -1.08 0.13 -1.73 -0.23 132.00 131.99 1pku h PRO 135 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1pku h PRO 135 Cb 0.60 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.73 1pku h PRO 135 CO 0.84 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.76 1pku n GLU 136 N -4.15 0.70 0.00 0.86 0.00 -1.26 -4.99 120.64 111.80 1pku n GLU 136 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.15 1pku n GLU 136 Cb 0.20 -1.24 0.00 0.00 0.00 0.00 0.00 31.44 30.40 1pku n GLU 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1pku n GLY 137 N 0.29 -0.56 3.49 -1.84 0.00 -0.10 -5.03 105.19 101.45 1pku n GLY 137 Ca 0.08 -1.76 -0.25 0.00 0.00 0.00 0.00 46.02 44.08 1pku n GLY 137 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pku s LEU 138 N -1.66 2.65 -0.22 0.99 1.43 -1.26 -4.94 118.68 115.68 1pku s LEU 138 Ca 0.00 -0.87 -0.23 0.00 -1.03 0.00 0.00 54.13 52.00 1pku s LEU 138 Cb 0.00 -1.26 -0.01 0.00 0.03 0.00 0.00 46.19 44.94 1pku s LEU 138 CO 0.00 0.07 0.75 0.00 0.23 0.00 0.00 176.35 177.40 1pku s ALA 139 N -2.09 3.58 0.19 4.21 0.00 0.19 -5.04 121.76 122.81 1pku s ALA 139 Ca 0.26 -0.18 -0.06 0.00 0.00 0.00 0.00 51.96 51.99 1pku s ALA 139 Cb -0.07 -3.15 -0.06 0.00 0.00 0.00 0.00 23.12 19.85 1pku s ALA 139 CO 0.14 -0.74 0.45 -1.83 0.00 0.00 0.00 175.76 173.77 1pku s GLU 140 N 2.38 3.66 -0.27 0.00 1.03 -1.26 -4.63 118.70 119.61 1pku s GLU 140 Ca 0.33 0.01 -0.32 0.00 0.03 0.00 0.00 54.97 55.01 1pku s GLU 140 Cb -0.16 -2.76 0.18 0.00 -0.80 0.00 0.00 34.13 30.59 1pku s GLU 140 CO 0.09 0.38 1.34 1.67 -1.33 0.00 0.00 175.26 177.41 1pku s TRP 141 N -1.78 -0.05 -0.16 4.83 1.48 -1.26 -5.15 118.94 116.85 1pku s TRP 141 Ca 0.43 0.07 0.02 0.00 -1.06 0.00 0.00 56.10 55.56 1pku s TRP 141 Cb -0.12 0.50 0.01 0.00 -1.16 0.00 0.00 33.47 32.70 1pku s TRP 141 CO 0.25 -0.06 -0.20 0.50 -4.06 0.00 0.00 176.95 173.38 1pku s ARG 142 N -1.43 3.04 0.25 3.25 3.52 -1.26 -5.10 118.95 121.23 1pku s ARG 142 Ca 0.09 -0.83 -0.30 0.00 -0.13 0.00 0.00 55.73 54.56 1pku s ARG 142 Cb -0.01 -2.51 -0.10 0.00 -1.56 0.00 0.00 34.95 30.77 1pku s ARG 142 CO -0.06 -0.07 1.42 0.45 -0.81 0.00 0.00 175.30 176.23 1pku s SER 143 N 0.97 6.68 0.48 -2.12 0.15 -1.26 -4.88 113.70 113.73 1pku s SER 143 Ca -0.03 2.65 0.32 0.00 0.70 0.00 0.00 55.95 59.59 1pku s SER 143 Cb -0.15 -2.62 1.40 0.00 -1.71 0.00 0.00 66.02 62.94 1pku s SER 143 CO -0.05 -0.68 1.95 0.78 1.20 0.00 0.00 173.24 176.45 1pku h ASN 144 N 4.91 0.00 -0.19 5.45 4.21 -2.07 -1.86 115.58 126.03 1pku h ASN 144 Ca -0.46 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.05 1pku h ASN 144 Cb 1.22 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.42 1pku h ASN 144 CO 0.77 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 177.09 1pku n LEU 145 N -2.84 1.17 0.10 1.61 4.77 -1.26 -4.39 117.00 116.16 1pku n LEU 145 Ca 0.00 -0.59 -0.12 0.00 -0.03 0.00 0.00 56.01 55.27 1pku n LEU 145 Cb 0.24 -0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 1pku n LEU 145 CO 0.24 0.27 0.78 -0.74 -1.33 0.00 0.00 177.39 176.60 1pku h HIS 146 N 1.14 -0.35 0.00 -1.77 2.76 -1.72 -2.08 115.15 113.13 1pku h HIS 146 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1pku h HIS 146 Cb 0.33 0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.43 1pku h HIS 146 CO 0.15 -0.21 0.00 -0.35 -1.30 0.00 0.00 177.93 176.22 1pku n PRO 147 N -5.26 0.20 -0.07 5.26 -0.04 -1.26 -0.95 135.00 132.87 1pku n PRO 147 Ca -0.07 0.06 0.05 0.00 -0.04 0.00 0.00 63.50 63.50 1pku n PRO 147 Cb 0.18 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.23 1pku n PRO 147 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1pku n TRP 148 N -1.07 0.19 -0.01 0.54 7.02 -0.80 -4.40 117.44 118.91 1pku n TRP 148 Ca 0.05 -0.21 -0.00 0.00 -1.02 0.00 0.00 57.50 56.32 1pku n TRP 148 Cb 0.03 -0.01 -0.02 0.00 -2.42 0.00 0.00 31.31 28.90 1pku n TRP 148 CO 0.00 0.00 0.00 -0.89 -2.02 0.00 0.00 177.69 174.78 1pku n ILE 149 N 0.53 0.07 -3.64 -0.99 5.41 -0.13 -5.09 119.36 115.53 1pku n ILE 149 Ca 0.08 -0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.77 1pku n ILE 149 Cb 0.33 -0.29 0.00 0.00 -0.71 0.00 0.00 39.64 38.96 1pku n ILE 149 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1pku n TYR 150 N -1.84 0.00 -0.33 1.39 4.02 -0.29 -5.11 117.16 115.00 1pku n TYR 150 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 1pku n TYR 150 Cb 0.32 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.64 1pku n TYR 150 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24