#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pku n MET 4 N 0.00 5.03 -1.22 -0.14 2.81 -1.26 -3.95 117.12 118.39 1pku n MET 4 Ca 0.00 -4.63 -0.31 0.00 -1.81 0.00 0.00 57.70 50.95 1pku n MET 4 Cb 0.00 -2.43 0.10 0.00 -0.71 0.00 0.00 33.22 30.18 1pku n MET 4 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 1pku s GLU 5 N -4.21 2.07 0.17 0.03 -1.05 -1.22 -4.68 118.70 109.80 1pku s GLU 5 Ca 0.41 1.16 0.08 0.00 -0.15 0.00 0.00 54.97 56.46 1pku s GLU 5 Cb 0.22 -1.88 -0.04 0.00 -0.44 0.00 0.00 34.13 31.99 1pku s GLU 5 CO -0.15 -1.77 -0.16 -0.65 0.95 0.00 0.00 175.26 173.48 1pku s GLN 6 N -4.89 1.23 0.02 -4.83 -0.21 -1.26 -2.12 119.66 107.59 1pku s GLN 6 Ca 0.62 -1.43 0.01 0.00 0.02 0.00 0.00 55.36 54.58 1pku s GLN 6 Cb -0.18 -1.15 -0.01 0.00 1.00 0.00 0.00 33.01 32.67 1pku s GLN 6 CO 0.56 0.22 -0.05 0.45 -2.12 0.00 0.00 175.29 174.36 1pku s SER 7 N -2.83 0.49 -0.38 5.90 0.15 -0.33 -4.69 113.70 112.01 1pku s SER 7 Ca 0.16 -0.29 -0.22 0.00 0.70 0.00 0.00 55.95 56.30 1pku s SER 7 Cb -0.04 0.01 0.01 0.00 -1.71 0.00 0.00 66.02 64.29 1pku s SER 7 CO 0.06 -0.10 0.73 0.12 1.20 0.00 0.00 173.24 175.25 1pku s PHE 8 N -0.73 3.11 -0.14 3.44 5.36 -1.26 -1.96 117.98 125.80 1pku s PHE 8 Ca -0.05 0.41 -0.02 0.00 -0.96 0.00 0.00 56.93 56.31 1pku s PHE 8 Cb -0.06 -3.35 -0.02 0.00 -0.34 0.00 0.00 43.02 39.25 1pku s PHE 8 CO -0.00 -0.74 -0.07 0.42 -1.46 0.00 0.00 175.22 173.37 1pku s ILE 9 N 2.99 3.59 -0.02 3.12 -1.09 -0.35 -1.95 121.20 127.49 1pku s ILE 9 Ca 0.29 -0.47 0.01 0.00 -2.23 0.00 0.00 60.65 58.24 1pku s ILE 9 Cb -0.13 -2.54 0.01 0.00 -1.58 0.00 0.00 42.46 38.21 1pku s ILE 9 CO 0.17 0.51 -0.03 -0.32 -1.23 0.00 0.00 174.94 174.05 1pku s MET 10 N 0.24 0.41 -0.36 2.79 -2.45 -0.13 0.55 119.30 120.36 1pku s MET 10 Ca -0.05 -0.06 -0.17 0.00 -1.25 0.00 0.00 55.69 54.17 1pku s MET 10 Cb -0.14 -0.47 -0.00 0.00 1.25 0.00 0.00 34.83 35.46 1pku s MET 10 CO 0.04 -0.02 0.43 0.42 1.05 0.00 0.00 175.02 176.94 1pku s ILE 11 N 0.49 5.10 0.90 10.11 1.01 -0.28 0.65 121.20 139.18 1pku s ILE 11 Ca -0.05 0.09 -0.11 0.00 0.00 0.00 0.00 60.65 60.57 1pku s ILE 11 Cb -0.08 -3.91 0.13 0.00 0.01 0.00 0.00 42.46 38.61 1pku s ILE 11 CO -0.01 -0.19 1.09 -0.54 0.00 0.00 0.00 174.94 175.29 1pku s LYS 12 N 2.18 1.21 0.16 2.79 1.02 -0.33 -2.26 119.74 124.51 1pku s LYS 12 Ca 0.14 0.93 -0.26 0.00 0.02 0.00 0.00 55.97 56.81 1pku s LYS 12 Cb -0.16 -1.79 0.00 0.00 -0.52 0.00 0.00 37.83 35.35 1pku s LYS 12 CO 0.13 -2.31 1.41 -2.30 -0.92 0.00 0.00 175.35 171.36 1pku n PRO 13 N -3.94 -0.36 -0.04 -1.68 -0.02 -1.25 -0.26 135.00 127.45 1pku n PRO 13 Ca 0.07 1.39 0.23 0.00 -2.02 0.00 0.00 63.50 63.17 1pku n PRO 13 Cb 0.55 -2.05 0.71 0.00 -0.02 0.00 0.00 33.50 32.69 1pku n PRO 13 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1pku h ASP 14 N 0.00 0.00 -0.18 2.55 2.03 -1.89 0.08 116.42 119.01 1pku h ASP 14 Ca 0.19 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 56.38 1pku h ASP 14 Cb 0.41 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.90 1pku h ASP 14 CO -0.87 0.00 -0.23 1.23 -1.03 0.00 0.00 179.24 178.33 1pku h GLY 15 N 0.00 0.68 1.44 7.15 0.00 -0.80 -2.01 103.07 109.53 1pku h GLY 15 Ca 0.29 -0.57 -0.21 0.00 0.00 0.00 0.00 47.33 46.85 1pku h GLY 15 CO -0.00 0.52 -0.81 -2.08 0.00 0.00 0.00 176.54 174.17 1pku h VAL 16 N 0.55 1.35 -0.46 4.60 2.07 -0.91 -2.38 116.25 121.08 1pku h VAL 16 Ca 0.08 -2.16 -0.12 0.00 0.82 0.00 0.00 66.70 65.32 1pku h VAL 16 Cb 0.70 2.15 -0.02 0.00 -1.52 0.00 0.00 31.29 32.61 1pku h VAL 16 CO 0.05 0.66 -0.18 1.56 0.02 0.00 0.00 177.57 179.69 1pku h GLN 17 N 0.35 0.89 -0.16 1.57 1.08 -1.36 -2.98 115.11 114.50 1pku h GLN 17 Ca -0.05 -0.35 0.00 0.00 -1.45 0.00 0.00 58.65 56.80 1pku h GLN 17 Cb 1.41 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.80 1pku h GLN 17 CO 0.15 0.99 0.00 0.54 -0.95 0.00 0.00 178.83 179.56 1pku n ARG 18 N -4.13 1.23 -2.13 1.46 1.74 -0.77 -4.88 116.66 109.18 1pku n ARG 18 Ca 0.01 -0.33 -0.15 0.00 -0.77 0.00 0.00 57.85 56.61 1pku n ARG 18 Cb 0.42 -1.11 -0.02 0.00 -1.02 0.00 0.00 32.46 30.73 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 0.60 0.06 0.97 -0.13 0.00 -1.12 -4.93 105.19 100.63 1pku n GLY 19 Ca 0.03 -0.28 0.11 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.02 2.87 0.00 0.99 4.77 -0.90 -4.64 117.00 118.07 1pku n LEU 20 Ca -0.17 -1.29 0.00 0.00 -0.03 0.00 0.00 56.01 54.52 1pku n LEU 20 Cb 0.61 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1pku n LEU 20 CO 0.20 0.65 0.42 -0.38 -1.33 0.00 0.00 177.39 176.95 1pku n ILE 21 N 1.09 0.00 -0.33 -0.08 5.41 -1.26 -1.49 119.36 122.70 1pku n ILE 21 Ca 0.18 1.33 -0.01 0.00 1.00 0.00 0.00 62.75 65.26 1pku n ILE 21 Cb 0.50 -2.21 0.05 0.00 -0.71 0.00 0.00 39.64 37.26 1pku n ILE 21 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1pku h GLY 22 N 0.00 0.13 -0.41 7.39 0.00 -1.97 -1.10 103.07 107.10 1pku h GLY 22 Ca 0.00 0.47 0.09 0.00 0.00 0.00 0.00 47.33 47.89 1pku h GLY 22 CO 0.00 -0.23 -0.38 -0.55 0.00 0.00 0.00 176.54 175.38 1pku h ASP 23 N -0.04 -1.30 -0.56 0.19 3.32 -1.81 0.11 116.42 116.34 1pku h ASP 23 Ca 0.33 0.23 0.01 0.00 0.02 0.00 0.00 57.03 57.62 1pku h ASP 23 Cb 0.60 0.61 -0.03 0.00 0.22 0.00 0.00 39.33 40.73 1pku h ASP 23 CO -0.91 -0.32 0.37 0.40 -1.72 0.00 0.00 179.24 177.06 1pku h ILE 24 N -0.21 1.14 -0.79 0.35 2.04 -0.11 -2.81 117.51 117.12 1pku h ILE 24 Ca 0.20 -0.26 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 1pku h ILE 24 Cb 0.56 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1pku h ILE 24 CO -0.66 0.14 0.30 0.40 0.00 0.00 0.00 178.15 178.33 1pku h ILE 25 N 0.75 1.26 -0.37 -0.67 2.04 -0.62 -2.09 117.51 117.82 1pku h ILE 25 Ca 0.21 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.22 1pku h ILE 25 Cb -0.08 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 1pku h ILE 25 CO -0.05 0.34 0.24 0.28 0.00 0.00 0.00 178.15 178.96 1pku h SER 26 N 1.16 0.43 -0.20 1.72 0.02 -0.57 -1.01 113.55 115.09 1pku h SER 26 Ca 0.26 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.17 1pku h SER 26 Cb 0.23 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1pku h SER 26 CO -0.02 0.32 0.04 0.03 -1.14 0.00 0.00 176.83 176.06 1pku h ARG 27 N 0.51 0.43 0.09 3.45 3.08 -1.15 -0.30 114.38 120.49 1pku h ARG 27 Ca 0.14 -0.07 -0.29 0.00 0.07 0.00 0.00 59.98 59.82 1pku h ARG 27 Cb -0.04 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1pku h ARG 27 CO -0.03 0.43 -1.46 0.74 -1.07 0.00 0.00 179.97 178.59 1pku h PHE 28 N 0.42 0.36 0.38 3.04 -1.00 -1.19 -2.88 116.94 116.08 1pku h PHE 28 Ca 0.10 -0.27 -0.02 0.00 2.81 0.00 0.00 57.97 60.59 1pku h PHE 28 Cb 0.23 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.77 1pku h PHE 28 CO 0.01 1.29 -0.18 0.93 -1.61 0.00 0.00 178.31 178.75 1pku h GLU 29 N 0.05 -0.49 -0.70 1.51 5.08 -0.94 -2.64 114.58 116.45 1pku h GLU 29 Ca -0.21 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.26 1pku h GLU 29 Cb 1.98 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 31.28 1pku h GLU 29 CO 0.15 -0.25 0.38 0.87 -1.00 0.00 0.00 179.01 179.16 1pku h LYS 30 N -0.64 0.66 -0.16 2.33 1.57 -1.20 0.24 116.57 119.36 1pku h LYS 30 Ca -0.05 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1pku h LYS 30 Cb 0.47 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1pku h LYS 30 CO 0.09 0.43 0.41 -0.22 -0.57 0.00 0.00 179.45 179.59 1pku h LYS 31 N 0.68 0.00 0.00 3.15 1.63 -1.34 -3.44 116.57 117.25 1pku h LYS 31 Ca 0.33 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.13 1pku h LYS 31 Cb 0.27 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 1pku h LYS 31 CO -0.22 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 176.19 1pku n GLY 32 N -1.34 0.90 3.84 5.01 0.00 0.07 -5.08 105.19 108.60 1pku n GLY 32 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.01 3.40 -0.11 1.61 0.08 -1.01 -5.03 117.98 114.91 1pku s PHE 33 Ca 0.00 1.37 -0.10 0.00 0.12 0.00 0.00 56.93 58.32 1pku s PHE 33 Cb 0.00 -2.69 -0.05 0.00 -0.57 0.00 0.00 43.02 39.71 1pku s PHE 33 CO 0.00 -0.16 0.21 0.71 -0.10 0.00 0.00 175.22 175.88 1pku s TYR 34 N -2.34 3.58 -0.31 0.36 4.12 -0.64 -4.56 117.35 117.55 1pku s TYR 34 Ca 0.57 0.60 -0.20 0.00 0.02 0.00 0.00 57.07 58.07 1pku s TYR 34 Cb -0.10 -2.10 -0.01 0.00 -1.52 0.00 0.00 41.96 38.23 1pku s TYR 34 CO 0.24 0.58 0.62 -1.17 0.02 0.00 0.00 175.55 175.84 1pku s LEU 35 N -0.61 4.17 -0.20 -1.29 1.98 -1.26 -0.19 118.68 121.27 1pku s LEU 35 Ca 0.16 0.37 0.15 0.00 -2.89 0.00 0.00 54.13 51.92 1pku s LEU 35 Cb -0.13 -2.80 -0.24 0.00 0.66 0.00 0.00 46.19 43.69 1pku s LEU 35 CO 0.05 -0.49 0.05 0.54 -1.89 0.00 0.00 176.35 174.61 1pku n ARG 36 N 5.89 0.68 -3.71 1.98 5.12 0.52 -4.94 116.66 122.20 1pku n ARG 36 Ca -0.01 0.03 -0.14 0.00 -1.93 0.00 0.00 57.85 55.80 1pku n ARG 36 Cb 0.49 -1.53 -0.09 0.00 -1.16 0.00 0.00 32.46 30.17 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 -5.62 -0.30 -0.26 -0.13 0.00 -0.99 -1.24 107.32 98.77 1pku s GLY 37 Ca -0.13 0.96 -0.21 0.00 0.00 0.00 0.00 44.72 45.33 1pku s GLY 37 CO 0.80 0.76 0.68 -0.29 0.00 0.00 0.00 173.10 175.04 1pku s MET 38 N -0.42 0.76 -0.28 2.90 0.00 -1.25 0.01 119.30 121.02 1pku s MET 38 Ca -0.06 1.01 -0.18 0.00 0.00 0.00 0.00 55.69 56.47 1pku s MET 38 Cb -0.03 0.32 0.10 0.00 0.00 0.00 0.00 34.83 35.21 1pku s MET 38 CO 0.03 -0.11 0.78 -1.59 0.00 0.00 0.00 175.02 174.13 1pku s LYS 39 N 0.70 0.64 -0.02 4.11 -2.85 0.09 -4.98 119.74 117.43 1pku s LYS 39 Ca -0.03 1.02 -0.24 0.00 -1.00 0.00 0.00 55.97 55.73 1pku s LYS 39 Cb -0.05 0.17 -0.04 0.00 -2.06 0.00 0.00 37.83 35.85 1pku s LYS 39 CO -0.04 -0.12 0.72 0.12 0.10 0.00 0.00 175.35 176.12 1pku s PHE 40 N 1.29 3.65 0.13 1.78 5.36 -1.26 -1.23 117.98 127.69 1pku s PHE 40 Ca -0.07 1.33 -0.24 0.00 -0.96 0.00 0.00 56.93 56.98 1pku s PHE 40 Cb -0.05 -2.79 0.07 0.00 -0.34 0.00 0.00 43.02 39.91 1pku s PHE 40 CO -0.15 0.19 0.72 0.00 -1.46 0.00 0.00 175.22 174.52 1pku s MET 41 N 0.37 1.22 -0.46 10.12 0.23 -0.59 -4.98 119.30 125.21 1pku s MET 41 Ca 0.37 -0.51 -0.14 0.00 -1.03 0.00 0.00 55.69 54.38 1pku s MET 41 Cb -0.19 0.52 0.07 0.00 -1.53 0.00 0.00 34.83 33.70 1pku s MET 41 CO 0.20 -0.54 0.36 -0.80 -2.03 0.00 0.00 175.02 172.21 1pku s ASN 42 N -2.72 6.02 0.31 -1.18 0.01 -1.26 -1.27 114.94 114.85 1pku s ASN 42 Ca 0.04 -1.35 -0.29 0.00 -0.71 0.00 0.00 52.86 50.55 1pku s ASN 42 Cb -0.02 -2.13 -0.10 0.00 0.41 0.00 0.00 41.25 39.40 1pku s ASN 42 CO -0.08 -0.61 1.40 -0.69 -1.51 0.00 0.00 177.10 175.61 1pku s VAL 43 N 1.59 2.54 0.06 1.60 1.01 -1.26 -5.01 120.40 120.92 1pku s VAL 43 Ca 0.04 0.50 -0.22 0.00 0.00 0.00 0.00 61.98 62.30 1pku s VAL 43 Cb -0.24 -3.32 -0.06 0.00 0.00 0.00 0.00 36.38 32.76 1pku s VAL 43 CO 0.06 0.10 0.64 -0.70 0.00 0.00 0.00 175.10 175.20 1pku s GLU 44 N -1.25 4.34 0.25 2.72 2.56 -1.26 -4.71 118.70 121.35 1pku s GLU 44 Ca 0.54 0.86 -0.04 0.00 0.00 0.00 0.00 54.97 56.33 1pku s GLU 44 Cb -0.42 -3.29 0.48 0.00 2.00 0.00 0.00 34.13 32.90 1pku s GLU 44 CO 0.51 0.49 1.70 -0.09 -0.56 0.00 0.00 175.26 177.31 1pku h ARG 45 N 5.02 0.31 -0.65 4.30 2.43 -1.95 0.23 114.38 124.07 1pku h ARG 45 Ca -0.47 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 58.63 1pku h ARG 45 Cb 1.21 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 1pku h ARG 45 CO 0.67 0.21 0.20 1.03 -1.51 0.00 0.00 179.97 180.57 1pku h SER 46 N 0.32 0.92 -0.31 -3.80 0.87 -2.00 -1.00 113.55 108.56 1pku h SER 46 Ca 0.43 -0.16 -0.08 0.00 -1.23 0.00 0.00 61.79 60.74 1pku h SER 46 Cb 0.72 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 1pku h SER 46 CO -0.48 0.87 -0.13 0.15 -0.53 0.00 0.00 176.83 176.71 1pku h PHE 47 N 0.96 0.73 -0.45 2.24 3.57 -1.49 -3.04 116.94 119.46 1pku h PHE 47 Ca 0.21 -0.17 0.03 0.00 3.53 0.00 0.00 57.97 61.57 1pku h PHE 47 Cb 0.28 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 1pku h PHE 47 CO 0.02 0.84 0.25 0.00 -2.23 0.00 0.00 178.31 177.19 1pku h ALA 48 N 0.77 0.57 -0.84 2.41 0.00 -0.24 -1.34 119.26 120.59 1pku h ALA 48 Ca 0.07 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.13 1pku h ALA 48 Cb 0.64 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 1pku h ALA 48 CO 0.04 -0.09 0.55 1.96 0.00 0.00 0.00 179.25 181.71 1pku h GLN 49 N 0.49 0.57 0.00 0.00 4.20 -1.10 0.12 115.11 119.39 1pku h GLN 49 Ca 0.19 -0.03 -0.17 0.00 0.06 0.00 0.00 58.65 58.69 1pku h GLN 49 Cb 0.05 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 1pku h GLN 49 CO -0.11 0.38 -0.82 0.37 -0.67 0.00 0.00 178.83 177.98 1pku h GLN 50 N 0.59 0.00 -0.04 1.46 5.75 -1.22 -1.85 115.11 119.80 1pku h GLN 50 Ca 0.42 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.81 1pku h GLN 50 Cb 0.78 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.31 1pku h GLN 50 CO -0.17 0.82 -0.50 1.25 -2.65 0.00 0.00 178.83 177.58 1pku h HIS 51 N 0.00 0.12 -0.61 3.99 2.76 0.21 -2.53 115.15 119.09 1pku h HIS 51 Ca -0.01 -0.04 -0.22 0.00 -2.20 0.00 0.00 60.37 57.91 1pku h HIS 51 Cb 1.54 -0.02 -0.13 0.00 1.55 0.00 0.00 27.41 30.35 1pku h HIS 51 CO 0.00 0.58 0.21 0.66 -1.30 0.00 0.00 177.93 178.07 1pku n TYR 52 N -3.95 2.00 -0.02 5.26 4.01 -0.17 -4.71 117.16 119.57 1pku n TYR 52 Ca -0.02 -1.34 -0.09 0.00 -0.16 0.00 0.00 57.90 56.30 1pku n TYR 52 Cb 0.52 -0.62 -0.02 0.00 -0.31 0.00 0.00 39.34 38.91 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 1.89 0.01 0.00 -0.72 0.00 -0.88 -1.42 119.26 118.14 1pku h ALA 53 Ca 0.27 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1pku h ALA 53 Cb 2.12 0.28 0.00 0.00 0.00 0.00 0.00 17.79 20.19 1pku h ALA 53 CO 0.63 -0.56 0.05 -0.40 0.00 0.00 0.00 179.25 178.97 1pku n ASP 54 N -5.28 0.00 0.00 0.00 5.75 -1.26 -0.85 116.55 114.91 1pku n ASP 54 Ca -0.02 0.26 0.00 0.00 -0.01 0.00 0.00 54.79 55.02 1pku n ASP 54 Cb 0.20 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 1pku n ASP 54 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1pku n LEU 55 N -1.23 1.20 -0.38 -2.12 4.77 -0.56 -4.78 117.00 113.89 1pku n LEU 55 Ca 0.00 -1.20 0.00 0.00 -0.03 0.00 0.00 56.01 54.78 1pku n LEU 55 Cb 0.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1pku n LEU 55 CO 0.00 0.30 0.10 -1.54 -1.33 0.00 0.00 177.39 174.92 1pku n SER 56 N -0.14 0.26 -0.06 -1.43 3.41 -0.03 -1.16 113.62 114.46 1pku n SER 56 Ca 0.00 -0.68 0.02 0.00 -0.26 0.00 0.00 58.87 57.96 1pku n SER 56 Cb 0.09 -0.13 -0.01 0.00 -0.26 0.00 0.00 64.21 63.90 1pku n SER 56 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1pku n ASP 57 N 0.13 0.61 -4.92 4.04 5.68 -1.26 -5.02 116.55 115.81 1pku n ASP 57 Ca 0.00 -0.81 -0.27 0.00 -0.50 0.00 0.00 54.79 53.22 1pku n ASP 57 Cb 0.06 0.65 0.05 0.00 -1.14 0.00 0.00 41.12 40.74 1pku n ASP 57 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1pku s LYS 58 N -1.03 2.64 0.20 0.11 -0.14 -0.31 -5.01 119.74 116.20 1pku s LYS 58 Ca 0.03 -0.07 0.09 0.00 -1.36 0.00 0.00 55.97 54.67 1pku s LYS 58 Cb 0.03 -2.21 0.07 0.00 -1.68 0.00 0.00 37.83 34.04 1pku s LYS 58 CO 0.13 -0.93 1.44 -1.35 -0.76 0.00 0.00 175.35 173.88 1pku h PRO 59 N -0.37 0.00 -0.11 -1.68 0.11 -1.96 -3.26 132.00 124.74 1pku h PRO 59 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1pku h PRO 59 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1pku h PRO 59 CO 0.61 0.79 0.00 1.97 -0.21 0.00 0.00 178.00 181.16 1pku n PHE 60 N -3.53 0.13 -0.33 0.65 1.16 -1.26 -4.21 117.46 110.07 1pku n PHE 60 Ca -0.00 -0.06 0.09 0.00 -1.87 0.00 0.00 57.45 55.60 1pku n PHE 60 Cb 0.78 0.00 0.25 0.00 -1.61 0.00 0.00 39.48 38.90 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 2.14 0.94 0.30 2.97 3.57 -1.81 -1.03 116.94 124.03 1pku h PHE 61 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1pku h PHE 61 Cb 0.46 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1pku h PHE 61 CO 0.06 0.27 -0.32 -1.35 -2.23 0.00 0.00 178.31 174.74 1pku h PRO 62 N 0.76 -0.63 -0.10 6.41 0.11 -1.85 -2.36 132.00 134.33 1pku h PRO 62 Ca 0.50 0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.63 1pku h PRO 62 Cb 0.67 0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 1pku h PRO 62 CO -0.34 -0.42 -0.06 0.78 -0.21 0.00 0.00 178.00 177.76 1pku h GLY 63 N -0.65 0.15 0.81 -0.55 0.00 -1.75 -0.81 103.07 100.26 1pku h GLY 63 Ca -0.01 -0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.28 1pku h GLY 63 CO -0.07 0.07 0.26 -2.00 0.00 0.00 0.00 176.54 174.80 1pku h LEU 64 N 0.14 0.40 -0.26 3.11 5.85 -0.74 0.31 115.31 124.12 1pku h LEU 64 Ca 0.03 0.02 -0.17 0.00 0.84 0.00 0.00 57.88 58.60 1pku h LEU 64 Cb 0.20 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1pku h LEU 64 CO 0.01 0.28 -0.50 0.58 -0.34 0.00 0.00 178.44 178.47 1pku h VAL 65 N 0.52 1.29 0.03 1.05 2.07 -0.93 -3.04 116.25 117.24 1pku h VAL 65 Ca 0.20 -1.70 0.03 0.00 0.82 0.00 0.00 66.70 66.05 1pku h VAL 65 Cb 0.08 1.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 1pku h VAL 65 CO -0.12 0.55 -0.22 -0.33 0.02 0.00 0.00 177.57 177.47 1pku h GLU 66 N 0.55 -0.35 -0.31 1.57 4.39 -0.66 -2.53 114.58 117.24 1pku h GLU 66 Ca 0.01 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 1pku h GLU 66 Cb 1.11 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 1pku h GLU 66 CO 0.11 -0.23 0.11 -0.92 -1.16 0.00 0.00 179.01 176.92 1pku h TYR 67 N -0.36 0.48 0.00 4.33 5.03 -1.00 -2.42 116.97 123.02 1pku h TYR 67 Ca 0.05 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.32 1pku h TYR 67 Cb 0.43 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.57 1pku h TYR 67 CO -0.25 0.48 0.00 0.97 -1.32 0.00 0.00 178.16 178.05 1pku h ILE 68 N 0.34 0.00 -0.03 1.81 6.09 -1.50 -1.19 117.51 123.03 1pku h ILE 68 Ca 0.10 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.42 1pku h ILE 68 Cb 0.22 0.89 0.00 0.00 0.47 0.00 0.00 36.82 38.40 1pku h ILE 68 CO -0.01 0.00 -0.13 -0.38 -3.07 0.00 0.00 178.15 174.56 1pku n ILE 69 N -2.47 0.00 1.15 2.19 -0.00 -0.96 -4.40 119.36 114.86 1pku n ILE 69 Ca 0.00 -0.43 0.13 0.00 -0.00 0.00 0.00 62.75 62.44 1pku n ILE 69 Cb 0.16 1.43 0.34 0.00 -0.00 0.00 0.00 39.64 41.57 1pku n ILE 69 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 1pku n SER 70 N 0.97 0.76 -3.58 4.38 3.41 -0.45 -4.89 113.62 114.22 1pku n SER 70 Ca 0.13 -0.58 -0.13 0.00 -0.26 0.00 0.00 58.87 58.02 1pku n SER 70 Cb 0.56 0.16 -0.06 0.00 -0.26 0.00 0.00 64.21 64.61 1pku n SER 70 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1pku s GLY 71 N -2.71 -0.39 0.98 5.00 0.00 -1.26 -5.12 107.32 103.82 1pku s GLY 71 Ca 0.19 1.96 -0.14 0.00 0.00 0.00 0.00 44.72 46.73 1pku s GLY 71 CO 0.59 1.32 0.25 -1.55 0.00 0.00 0.00 173.10 173.71 1pku n PRO 72 N 1.48 -0.49 -4.09 2.90 -0.04 -1.26 -4.51 135.00 128.99 1pku n PRO 72 Ca -0.14 -0.11 -0.07 0.00 -0.04 0.00 0.00 63.50 63.14 1pku n PRO 72 Cb 0.57 -1.77 -0.10 0.00 -0.04 0.00 0.00 33.50 32.16 1pku n PRO 72 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1pku s VAL 73 N -2.34 0.24 -0.33 0.52 -7.23 -0.39 -3.89 120.40 106.98 1pku s VAL 73 Ca 0.55 -1.77 -0.07 0.00 -1.81 0.00 0.00 61.98 58.89 1pku s VAL 73 Cb -0.19 -1.46 0.03 0.00 0.56 0.00 0.00 36.38 35.32 1pku s VAL 73 CO 0.68 -0.96 0.10 -0.69 -0.31 0.00 0.00 175.10 173.92 1pku s VAL 74 N -3.76 3.85 -0.21 1.32 1.01 -0.96 -1.55 120.40 120.11 1pku s VAL 74 Ca 0.06 -1.00 -0.16 0.00 0.00 0.00 0.00 61.98 60.88 1pku s VAL 74 Cb 0.07 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1pku s VAL 74 CO -0.09 -0.11 0.41 0.00 0.00 0.00 0.00 175.10 175.31 1pku s ALA 75 N 1.43 3.56 0.23 5.51 0.00 -0.37 -1.12 121.76 131.00 1pku s ALA 75 Ca -0.00 -0.56 0.04 0.00 0.00 0.00 0.00 51.96 51.43 1pku s ALA 75 Cb -0.19 -2.67 -0.05 0.00 0.00 0.00 0.00 23.12 20.21 1pku s ALA 75 CO 0.03 -0.38 -0.02 -1.64 0.00 0.00 0.00 175.76 173.75 1pku s MET 76 N 1.49 1.34 -0.16 0.00 -1.94 0.19 -0.73 119.30 119.48 1pku s MET 76 Ca 0.19 -1.67 -0.04 0.00 -1.71 0.00 0.00 55.69 52.45 1pku s MET 76 Cb -0.15 -0.67 0.06 0.00 2.01 0.00 0.00 34.83 36.08 1pku s MET 76 CO 0.08 -0.07 0.12 0.08 -0.01 0.00 0.00 175.02 175.23 1pku s VAL 77 N -3.37 -0.15 -0.04 -6.03 1.01 0.10 -1.21 120.40 110.71 1pku s VAL 77 Ca 0.28 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.19 1pku s VAL 77 Cb 0.05 -0.55 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 1pku s VAL 77 CO 0.08 -0.20 -0.04 0.26 0.00 0.00 0.00 175.10 175.20 1pku s TRP 78 N 2.19 3.00 0.07 5.22 0.52 -0.83 -0.36 118.94 128.76 1pku s TRP 78 Ca 0.03 0.05 0.07 0.00 0.02 0.00 0.00 56.10 56.28 1pku s TRP 78 Cb -0.15 -1.69 -0.04 0.00 -1.15 0.00 0.00 33.47 30.44 1pku s TRP 78 CO -0.09 0.40 -0.16 -2.00 0.02 0.00 0.00 176.95 175.12 1pku s GLU 79 N -1.16 2.04 0.00 4.98 2.12 0.73 -1.18 118.70 126.23 1pku s GLU 79 Ca 0.15 -1.02 0.00 0.00 0.36 0.00 0.00 54.97 54.46 1pku s GLU 79 Cb -0.11 -2.21 0.00 0.00 0.26 0.00 0.00 34.13 32.07 1pku s GLU 79 CO 0.05 0.52 0.00 0.41 -0.54 0.00 0.00 175.26 175.71 1pku n GLY 80 N 1.20 1.05 3.61 -1.50 0.00 -0.90 -1.62 105.19 107.04 1pku n GLY 80 Ca -0.15 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.28 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 3.67 -0.94 1.61 2.36 -1.25 -2.93 119.74 120.26 1pku s LYS 81 Ca 0.00 1.28 0.00 0.00 -2.55 0.00 0.00 55.97 54.70 1pku s LYS 81 Cb 0.00 -4.02 0.00 0.00 -1.05 0.00 0.00 37.83 32.76 1pku s LYS 81 CO 0.00 -1.44 0.00 -3.47 1.55 0.00 0.00 175.35 171.99 1pku n ASP 82 N 8.70 -3.59 -0.22 1.43 2.03 -1.26 -4.93 116.55 118.70 1pku n ASP 82 Ca 0.18 0.01 0.01 0.00 0.52 0.00 0.00 54.79 55.51 1pku n ASP 82 Cb 0.47 -2.79 0.13 0.00 -0.72 0.00 0.00 41.12 38.21 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 0.00 0.77 0.08 5.18 2.07 -1.80 -1.92 116.25 120.64 1pku h VAL 83 Ca -0.25 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 1pku h VAL 83 Cb 1.16 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1pku h VAL 83 CO 0.30 0.08 -0.12 0.58 0.02 0.00 0.00 177.57 178.44 1pku h VAL 84 N 0.46 0.00 -0.81 2.57 2.07 -1.88 0.12 116.25 118.78 1pku h VAL 84 Ca 0.34 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.92 1pku h VAL 84 Cb 0.42 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.13 1pku h VAL 84 CO -0.32 0.00 0.49 0.00 0.02 0.00 0.00 177.57 177.76 1pku h ALA 85 N -1.47 1.11 0.00 1.67 0.00 -1.86 -2.12 119.26 116.58 1pku h ALA 85 Ca -0.01 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1pku h ALA 85 Cb 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1pku h ALA 85 CO -0.03 0.21 -0.28 1.79 0.00 0.00 0.00 179.25 180.94 1pku h THR 86 N 0.89 0.66 -0.20 0.00 1.35 -1.33 -2.43 112.91 111.85 1pku h THR 86 Ca 0.36 -1.29 -0.07 0.00 -0.55 0.00 0.00 66.41 64.85 1pku h THR 86 Cb 0.18 1.85 -0.00 0.00 -1.73 0.00 0.00 68.15 68.45 1pku h THR 86 CO -0.18 0.28 -0.15 1.23 -0.25 0.00 0.00 175.52 176.45 1pku h GLY 87 N 2.16 0.51 1.06 5.82 0.00 -0.10 0.26 103.07 112.78 1pku h GLY 87 Ca -0.00 -0.49 0.05 0.00 0.00 0.00 0.00 47.33 46.89 1pku h GLY 87 CO 0.04 0.44 0.50 3.21 0.00 0.00 0.00 176.54 180.73 1pku h ARG 88 N 0.15 0.85 0.53 4.80 2.47 -1.34 0.24 114.38 122.09 1pku h ARG 88 Ca 0.04 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.68 1pku h ARG 88 Cb 0.67 -0.19 0.01 0.00 -1.65 0.00 0.00 29.97 28.81 1pku h ARG 88 CO 0.04 0.56 -0.26 -0.09 0.56 0.00 0.00 179.97 180.79 1pku h ARG 89 N 0.88 -0.69 -0.94 0.04 2.43 -0.91 0.17 114.38 115.36 1pku h ARG 89 Ca 0.32 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 1pku h ARG 89 Cb 0.15 0.16 -0.05 0.00 -0.42 0.00 0.00 29.97 29.81 1pku h ARG 89 CO -0.10 -0.43 0.60 0.82 -1.51 0.00 0.00 179.97 179.35 1pku h ILE 90 N -0.80 1.25 0.03 1.20 2.04 -0.02 -3.04 117.51 118.17 1pku h ILE 90 Ca -0.07 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 65.30 1pku h ILE 90 Cb 0.58 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1pku h ILE 90 CO 0.12 0.25 -0.01 0.40 0.00 0.00 0.00 178.15 178.91 1pku h ILE 91 N 1.28 1.20 0.00 -0.67 2.04 -0.38 -1.10 117.51 119.87 1pku h ILE 91 Ca 0.34 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1pku h ILE 91 Cb -0.11 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1pku h ILE 91 CO -0.07 0.18 0.00 0.61 0.00 0.00 0.00 178.15 178.87 1pku n GLY 92 N -0.28 2.11 3.19 5.37 0.00 0.59 -0.94 105.19 115.23 1pku n GLY 92 Ca -0.08 -1.92 -0.36 0.00 0.00 0.00 0.00 46.02 43.66 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 1.88 -3.98 -0.10 4.61 0.00 -1.26 -4.87 120.51 116.79 1pku n ALA 93 Ca 0.00 -0.49 -0.07 0.00 0.00 0.00 0.00 53.44 52.88 1pku n ALA 93 Cb 0.00 -1.41 0.01 0.00 0.00 0.00 0.00 19.45 18.05 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 -0.83 0.93 -3.38 0.00 2.02 -1.97 -3.39 112.91 106.30 1pku h THR 94 Ca -0.44 -0.10 -0.59 0.00 0.77 0.00 0.00 66.41 66.05 1pku h THR 94 Cb 1.33 0.60 -0.09 0.00 -1.74 0.00 0.00 68.15 68.25 1pku h THR 94 CO 0.31 0.06 0.27 -0.13 0.37 0.00 0.00 175.52 176.39 1pku s ARG 95 N -6.16 4.20 0.59 6.66 0.52 -1.26 -4.67 118.95 118.82 1pku s ARG 95 Ca -0.13 0.75 0.29 0.00 -0.52 0.00 0.00 55.73 56.12 1pku s ARG 95 Cb 0.12 -3.61 1.74 0.00 0.52 0.00 0.00 34.95 33.71 1pku s ARG 95 CO 0.71 -0.37 2.19 -1.35 0.02 0.00 0.00 175.30 176.51 1pku h PRO 96 N 7.60 0.00 0.00 3.54 0.11 -1.82 -1.16 132.00 140.27 1pku h PRO 96 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1pku h PRO 96 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1pku h PRO 96 CO 0.81 0.00 0.00 -2.67 -0.21 0.00 0.00 178.00 175.93 1pku n TRP 97 N -3.86 0.00 0.08 0.65 4.27 -1.26 -2.70 117.44 114.62 1pku n TRP 97 Ca -0.01 0.00 0.03 0.00 -3.89 0.00 0.00 57.50 53.62 1pku n TRP 97 Cb 0.17 -0.38 -0.04 0.00 -1.36 0.00 0.00 31.31 29.71 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 -1.38 1.90 -1.73 -2.67 1.02 -0.51 -5.00 120.64 112.26 1pku n GLU 98 Ca 0.09 -0.03 -0.42 0.00 -0.02 0.00 0.00 57.16 56.78 1pku n GLU 98 Cb 0.23 -1.00 -0.02 0.00 -0.02 0.00 0.00 31.44 30.63 1pku n GLU 98 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pku n ALA 99 N -1.50 2.75 -2.05 0.62 0.00 -0.76 -4.80 120.51 114.78 1pku n ALA 99 Ca -0.00 0.39 -0.41 0.00 0.00 0.00 0.00 53.44 53.41 1pku n ALA 99 Cb 0.12 -2.50 -0.03 0.00 0.00 0.00 0.00 19.45 17.04 1pku n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pku s ALA 100 N 0.67 3.46 0.18 0.00 0.00 -1.26 -4.63 121.76 120.17 1pku s ALA 100 Ca 0.70 1.00 -0.33 0.00 0.00 0.00 0.00 51.96 53.33 1pku s ALA 100 Cb -0.50 -3.43 -0.15 0.00 0.00 0.00 0.00 23.12 19.04 1pku s ALA 100 CO 0.39 -0.42 1.35 -2.30 0.00 0.00 0.00 175.76 174.78 1pku n PRO 101 N 2.57 1.62 0.00 0.00 -0.02 -1.26 -2.06 135.00 135.85 1pku n PRO 101 Ca 0.05 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1pku n PRO 101 Cb 0.44 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 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 2.39 2.07 3.89 -1.23 0.00 -1.26 -5.08 105.19 105.97 1pku n GLY 102 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.94 4.94 0.13 2.61 -4.23 -0.88 -4.96 115.64 111.32 1pku s THR 103 Ca 0.00 0.35 -0.32 0.00 -1.18 0.00 0.00 61.69 60.54 1pku s THR 103 Cb 0.00 -3.67 -0.08 0.00 1.34 0.00 0.00 72.50 70.08 1pku s THR 103 CO 0.00 -0.23 1.56 0.40 -0.54 0.00 0.00 174.62 175.81 1pku h ILE 104 N 1.64 0.03 -0.78 2.99 2.04 -1.20 -1.29 117.51 120.94 1pku h ILE 104 Ca -0.47 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.47 1pku h ILE 104 Cb 1.18 0.03 -0.07 0.00 -0.74 0.00 0.00 36.82 37.23 1pku h ILE 104 CO 0.67 0.00 0.45 0.03 0.00 0.00 0.00 178.15 179.30 1pku h ARG 105 N -0.43 0.76 0.00 2.37 3.08 -1.28 0.12 114.38 119.00 1pku h ARG 105 Ca 0.08 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 1pku h ARG 105 Cb 0.62 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1pku h ARG 105 CO -0.55 0.50 -0.19 0.00 -1.07 0.00 0.00 179.97 178.67 1pku h ALA 106 N 1.41 1.20 -0.00 0.04 0.00 -1.63 -1.95 119.26 118.34 1pku h ALA 106 Ca 0.36 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1pku h ALA 106 Cb 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1pku h ALA 106 CO -0.22 0.24 -0.64 -0.25 0.00 0.00 0.00 179.25 178.38 1pku n ASP 107 N -3.61 0.89 0.00 0.00 8.00 -0.54 -4.75 116.55 116.54 1pku n ASP 107 Ca -0.01 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.54 1pku n ASP 107 Cb 0.33 0.90 0.00 0.00 -0.02 0.00 0.00 41.12 42.32 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 -1.12 0.00 -4.32 1.24 0.53 0.36 -5.07 117.16 108.79 1pku n TYR 108 Ca 0.04 0.00 -0.24 0.00 -1.02 0.00 0.00 57.90 56.67 1pku n TYR 108 Cb 0.26 0.00 -0.08 0.00 -1.03 0.00 0.00 39.34 38.48 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 -1.64 3.22 0.00 -0.72 0.00 -0.74 -5.00 121.76 116.87 1pku s ALA 109 Ca 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 51.96 50.03 1pku s ALA 109 Cb 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.70 1pku s ALA 109 CO 0.00 0.08 0.00 0.28 0.00 0.00 0.00 175.76 176.12 1pku n VAL 110 N -0.96 0.00 -4.43 0.00 0.31 -1.26 -4.79 118.33 107.20 1pku n VAL 110 Ca -0.04 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.06 1pku n VAL 110 Cb 0.62 -0.53 -0.10 0.00 -0.91 0.00 0.00 33.84 32.92 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 -1.96 1.58 0.08 5.55 2.02 -1.26 -4.63 118.70 120.08 1pku s GLU 111 Ca 0.00 -1.71 -0.24 0.00 0.02 0.00 0.00 54.97 53.03 1pku s GLU 111 Cb 0.00 -1.58 -0.16 0.00 0.10 0.00 0.00 34.13 32.49 1pku s GLU 111 CO 0.00 0.29 1.69 0.28 0.02 0.00 0.00 175.26 177.54 1pku h VAL 112 N 2.37 0.97 0.00 2.63 2.07 -1.98 -2.60 116.25 119.71 1pku h VAL 112 Ca -0.40 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1pku h VAL 112 Cb 1.25 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1pku h VAL 112 CO 0.60 0.02 0.00 0.61 0.02 0.00 0.00 177.57 178.83 1pku n GLY 113 N -1.01 -0.47 2.67 2.17 0.00 -1.26 -2.55 105.19 104.75 1pku n GLY 113 Ca -0.08 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 1pku n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pku n ARG 114 N -1.24 1.23 -0.55 1.61 5.12 -1.00 -4.96 116.66 116.88 1pku n ARG 114 Ca 0.04 -3.29 -0.09 0.00 -1.93 0.00 0.00 57.85 52.57 1pku n ARG 114 Cb 0.05 -1.29 0.04 0.00 -1.16 0.00 0.00 32.46 30.10 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 -0.11 4.50 0.00 0.55 0.23 -1.06 -4.55 115.26 114.82 1pku n ASN 115 Ca 0.09 -2.65 0.00 0.00 -0.53 0.00 0.00 54.58 51.50 1pku n ASN 115 Cb 0.82 -0.82 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1pku n ASN 115 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1pku n VAL 116 N 0.33 0.00 -4.17 3.53 0.31 -1.26 -4.80 118.33 112.28 1pku n VAL 116 Ca 0.19 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.41 1pku n VAL 116 Cb 0.72 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.55 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 0.62 0.04 2.52 2.07 -1.26 -1.18 121.20 124.02 1pku s ILE 117 Ca 0.00 -1.93 0.06 0.00 -1.41 0.00 0.00 60.65 57.37 1pku s ILE 117 Cb 0.00 -1.74 -0.02 0.00 0.13 0.00 0.00 42.46 40.83 1pku s ILE 117 CO 0.00 -0.82 -0.16 -2.28 -1.91 0.00 0.00 174.94 169.77 1pku s HIS 118 N -3.67 1.42 -0.02 3.50 5.65 0.21 -4.87 115.29 117.50 1pku s HIS 118 Ca 0.13 -0.37 -0.07 0.00 0.25 0.00 0.00 55.06 55.01 1pku s HIS 118 Cb 0.06 -0.84 0.01 0.00 -1.18 0.00 0.00 32.58 30.63 1pku s HIS 118 CO -0.04 0.06 0.16 0.20 -0.65 0.00 0.00 174.74 174.47 1pku s GLY 119 N -1.21 -0.02 0.53 1.59 0.00 -1.26 -0.96 107.32 105.99 1pku s GLY 119 Ca 0.03 0.10 -0.22 0.00 0.00 0.00 0.00 44.72 44.63 1pku s GLY 119 CO 0.02 -0.02 1.34 -0.56 0.00 0.00 0.00 173.10 173.88 1pku s SER 120 N -0.88 5.41 -0.03 1.64 0.01 -0.82 -4.94 113.70 114.09 1pku s SER 120 Ca -0.10 2.72 0.21 0.00 1.31 0.00 0.00 55.95 60.10 1pku s SER 120 Cb -0.05 -2.63 -0.32 0.00 0.21 0.00 0.00 66.02 63.23 1pku s SER 120 CO 0.01 -1.47 0.51 -0.90 0.41 0.00 0.00 173.24 171.80 1pku n ASP 121 N -0.91 0.25 -4.27 2.44 3.85 -1.26 -4.72 116.55 111.93 1pku n ASP 121 Ca 0.10 -0.11 -0.15 0.00 -0.71 0.00 0.00 54.79 53.93 1pku n ASP 121 Cb 0.45 1.86 -0.10 0.00 -1.35 0.00 0.00 41.12 41.98 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 -4.28 1.37 0.30 -1.12 1.04 -1.26 -4.83 113.70 104.92 1pku s SER 122 Ca -0.06 -1.19 0.09 0.00 0.48 0.00 0.00 55.95 55.27 1pku s SER 122 Cb 0.14 0.09 0.46 0.00 0.10 0.00 0.00 66.02 66.81 1pku s SER 122 CO 0.88 -0.56 1.69 -0.37 0.98 0.00 0.00 173.24 175.85 1pku h VAL 123 N 2.62 1.35 -0.03 5.02 -1.51 -1.94 -2.67 116.25 119.10 1pku h VAL 123 Ca -0.37 -1.71 -0.01 0.00 -1.23 0.00 0.00 66.70 63.37 1pku h VAL 123 Cb 1.21 1.88 -0.00 0.00 -2.13 0.00 0.00 31.29 32.25 1pku h VAL 123 CO 0.63 0.50 -0.04 0.44 -1.23 0.00 0.00 177.57 177.87 1pku h ASP 124 N 0.08 0.08 -0.67 4.19 3.32 -1.95 -2.97 116.42 118.50 1pku h ASP 124 Ca 0.00 -0.53 0.11 0.00 0.02 0.00 0.00 57.03 56.63 1pku h ASP 124 Cb 0.90 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.39 1pku h ASP 124 CO 0.07 0.60 0.45 0.78 -1.72 0.00 0.00 179.24 179.42 1pku h ASN 125 N -0.43 0.42 -0.44 6.45 2.35 -1.94 -0.80 115.58 121.18 1pku h ASN 125 Ca 0.00 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1pku h ASN 125 Cb 0.58 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.86 1pku h ASN 125 CO 0.01 0.24 0.24 1.23 -1.65 0.00 0.00 177.43 177.50 1pku h GLY 126 N 0.46 0.66 1.48 2.83 0.00 -1.41 -0.93 103.07 106.16 1pku h GLY 126 Ca 0.31 -0.30 0.05 0.00 0.00 0.00 0.00 47.33 47.39 1pku h GLY 126 CO -0.10 0.29 0.24 0.50 0.00 0.00 0.00 176.54 177.48 1pku h LYS 127 N 0.57 0.29 0.36 4.80 1.57 -1.00 0.35 116.57 123.51 1pku h LYS 127 Ca 0.15 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 1pku h LYS 127 Cb 0.06 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1pku h LYS 127 CO -0.02 0.19 -0.17 0.87 -0.57 0.00 0.00 179.45 179.75 1pku h LYS 128 N 0.30 -0.46 -0.61 3.15 1.57 -0.90 -2.70 116.57 116.92 1pku h LYS 128 Ca 0.15 0.03 0.07 0.00 -1.87 0.00 0.00 60.65 59.03 1pku h LYS 128 Cb 0.24 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.60 1pku h LYS 128 CO -0.03 -0.15 0.31 0.93 -0.57 0.00 0.00 179.45 179.94 1pku h GLU 129 N -0.96 0.55 -0.90 3.15 5.08 -0.73 -1.66 114.58 119.11 1pku h GLU 129 Ca -0.05 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1pku h GLU 129 Cb 0.52 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 1pku h GLU 129 CO 0.08 0.36 0.58 0.82 -1.00 0.00 0.00 179.01 179.85 1pku h ILE 130 N 0.57 1.24 0.00 3.13 2.04 -0.39 0.16 117.51 124.26 1pku h ILE 130 Ca 0.28 -0.47 -0.05 0.00 1.00 0.00 0.00 64.86 65.63 1pku h ILE 130 Cb 0.23 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.23 1pku h ILE 130 CO -0.21 0.24 -0.25 0.00 0.00 0.00 0.00 178.15 177.93 1pku h ALA 131 N 1.41 1.21 0.00 1.87 0.00 -0.98 0.17 119.26 122.93 1pku h ALA 131 Ca 0.33 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1pku h ALA 131 Cb -0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1pku h ALA 131 CO -0.07 0.32 -0.37 1.25 0.00 0.00 0.00 179.25 180.38 1pku h LEU 132 N 0.00 0.00 0.00 0.00 6.46 -0.46 -3.22 115.31 118.09 1pku h LEU 132 Ca -0.00 -0.61 -0.02 0.00 -0.12 0.00 0.00 57.88 57.13 1pku h LEU 132 Cb 0.60 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.52 1pku h LEU 132 CO 0.03 1.02 -0.10 -0.50 -0.62 0.00 0.00 178.44 178.27 1pku h TRP 133 N -1.00 0.00 -1.86 1.25 4.06 -1.06 -3.37 115.95 113.97 1pku h TRP 133 Ca -0.09 0.00 -0.47 0.00 2.06 0.00 0.00 58.89 60.39 1pku h TRP 133 Cb 0.86 0.00 -0.40 0.00 -1.00 0.00 0.00 29.16 28.62 1pku h TRP 133 CO 0.14 0.09 -1.15 1.19 -3.56 0.00 0.00 178.44 175.15 1pku n PHE 134 N -3.12 0.66 0.48 0.49 3.01 0.58 -4.90 117.46 114.66 1pku n PHE 134 Ca 0.04 -3.66 0.05 0.00 1.01 0.00 0.00 57.45 54.89 1pku n PHE 134 Cb 0.57 -0.41 0.27 0.00 -0.01 0.00 0.00 39.48 39.89 1pku n PHE 134 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1pku n PRO 135 N 0.18 0.11 -0.40 -1.08 -0.04 -1.21 -1.89 135.00 130.66 1pku n PRO 135 Ca 0.23 0.22 0.10 0.00 -0.04 0.00 0.00 63.50 64.02 1pku n PRO 135 Cb 0.67 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.93 1pku n PRO 135 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1pku n GLU 136 N -1.36 2.78 0.00 0.54 0.00 -1.26 -5.07 120.64 116.27 1pku n GLU 136 Ca 0.04 -2.44 0.00 0.00 0.00 0.00 0.00 57.16 54.77 1pku n GLU 136 Cb 0.10 -1.60 0.00 0.00 0.00 0.00 0.00 31.44 29.95 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 1.43 -1.02 3.71 -1.84 0.00 -0.79 -5.04 105.19 101.65 1pku n GLY 137 Ca 0.22 -1.64 -0.26 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.15 2.99 0.16 0.99 1.43 -1.26 -4.96 118.68 115.88 1pku s LEU 138 Ca 0.00 -1.20 -0.30 0.00 -1.03 0.00 0.00 54.13 51.60 1pku s LEU 138 Cb 0.00 -1.24 -0.07 0.00 0.03 0.00 0.00 46.19 44.91 1pku s LEU 138 CO 0.00 -0.56 0.94 0.00 0.23 0.00 0.00 176.35 176.96 1pku s ALA 139 N -2.65 3.29 -0.23 4.21 0.00 -0.37 -5.04 121.76 120.96 1pku s ALA 139 Ca 0.37 0.58 -0.14 0.00 0.00 0.00 0.00 51.96 52.76 1pku s ALA 139 Cb 0.05 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 1pku s ALA 139 CO 0.20 0.07 0.34 -1.21 0.00 0.00 0.00 175.76 175.16 1pku s GLU 140 N -0.46 4.10 0.07 0.00 0.41 -1.26 -4.81 118.70 116.75 1pku s GLU 140 Ca 0.44 0.04 -0.26 0.00 -0.41 0.00 0.00 54.97 54.78 1pku s GLU 140 Cb -0.24 -3.58 0.09 0.00 -1.78 0.00 0.00 34.13 28.62 1pku s GLU 140 CO 0.30 -0.10 0.78 1.67 -0.49 0.00 0.00 175.26 177.42 1pku s TRP 141 N 1.52 -0.41 -0.11 1.61 1.48 -1.26 -5.16 118.94 116.61 1pku s TRP 141 Ca 0.15 0.23 0.01 0.00 -1.06 0.00 0.00 56.10 55.43 1pku s TRP 141 Cb -0.15 0.55 0.02 0.00 -1.16 0.00 0.00 33.47 32.73 1pku s TRP 141 CO 0.08 -0.68 -0.13 0.50 -4.06 0.00 0.00 176.95 172.66 1pku s ARG 142 N -3.38 2.01 -0.04 3.25 3.52 -1.26 -5.12 118.95 117.94 1pku s ARG 142 Ca 0.04 -0.48 -0.30 0.00 -0.13 0.00 0.00 55.73 54.86 1pku s ARG 142 Cb -0.01 -1.78 -0.03 0.00 -1.56 0.00 0.00 34.95 31.57 1pku s ARG 142 CO -0.10 -0.11 1.15 0.45 -0.81 0.00 0.00 175.30 175.88 1pku s SER 143 N 1.14 7.12 0.35 -2.12 0.15 -1.26 -4.89 113.70 114.19 1pku s SER 143 Ca -0.04 1.79 0.24 0.00 0.70 0.00 0.00 55.95 58.64 1pku s SER 143 Cb -0.14 -2.56 1.27 0.00 -1.71 0.00 0.00 66.02 62.87 1pku s SER 143 CO -0.03 -0.51 1.73 0.78 1.20 0.00 0.00 173.24 176.40 1pku h ASN 144 N 7.22 0.00 -0.29 5.45 4.21 -2.06 0.15 115.58 130.25 1pku h ASN 144 Ca -0.36 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.15 1pku h ASN 144 Cb 1.17 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.37 1pku h ASN 144 CO 0.85 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 177.17 1pku n LEU 145 N -2.33 2.92 -0.12 1.61 4.77 -1.26 -4.55 117.00 118.04 1pku n LEU 145 Ca -0.01 -1.22 -0.04 0.00 -0.03 0.00 0.00 56.01 54.70 1pku n LEU 145 Cb 0.05 -0.19 0.03 0.00 -2.33 0.00 0.00 43.42 40.98 1pku n LEU 145 CO 0.11 0.61 0.85 -0.74 -1.33 0.00 0.00 177.39 176.90 1pku h HIS 146 N 3.87 -0.02 -0.43 -1.77 2.76 -1.09 -1.94 115.15 116.55 1pku h HIS 146 Ca 0.00 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.24 1pku h HIS 146 Cb 0.85 0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.86 1pku h HIS 146 CO 0.19 -0.08 0.29 -1.00 -1.30 0.00 0.00 177.93 176.03 1pku h PRO 147 N 0.11 0.43 0.00 5.26 0.13 -1.81 0.24 132.00 136.36 1pku h PRO 147 Ca 0.20 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1pku h PRO 147 Cb 0.28 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.32 1pku h PRO 147 CO -0.33 0.28 -0.18 0.91 -0.23 0.00 0.00 178.00 178.45 1pku n TRP 148 N -4.48 0.11 -0.13 1.56 7.02 -0.81 -3.96 117.44 116.75 1pku n TRP 148 Ca 0.05 0.03 -0.21 0.00 -1.02 0.00 0.00 57.50 56.35 1pku n TRP 148 Cb 0.17 -0.47 -0.11 0.00 -2.42 0.00 0.00 31.31 28.47 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 -1.60 1.48 -3.14 -0.99 5.41 -0.61 -5.03 119.36 114.89 1pku n ILE 149 Ca 0.06 -0.51 0.00 0.00 1.00 0.00 0.00 62.75 63.30 1pku n ILE 149 Cb 0.35 -1.54 0.00 0.00 -0.71 0.00 0.00 39.64 37.74 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 -3.52 -0.97 -0.89 1.39 4.02 -0.03 -5.10 117.16 112.06 1pku n TYR 150 Ca -0.48 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.41 1pku n TYR 150 Cb 0.96 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.28 1pku n TYR 150 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24