#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ljo s ALA 2 N 0.00 0.08 0.12 4.61 0.00 -1.26 -5.18 121.76 120.13 1ljo s ALA 2 Ca 0.00 -0.89 -0.22 0.00 0.00 0.00 0.00 51.96 50.85 1ljo s ALA 2 Cb 0.00 0.64 0.06 0.00 0.00 0.00 0.00 23.12 23.82 1ljo s ALA 2 CO 0.00 -0.54 0.54 0.00 0.00 0.00 0.00 175.76 175.76 1ljo s MET 3 N -3.93 1.17 -0.27 0.00 0.00 -1.26 -5.14 119.30 109.87 1ljo s MET 3 Ca 0.12 -0.45 -0.09 0.00 0.00 0.00 0.00 55.69 55.27 1ljo s MET 3 Cb 0.05 0.53 -0.04 0.00 0.00 0.00 0.00 34.83 35.38 1ljo s MET 3 CO -0.05 -0.48 0.13 0.08 0.00 0.00 0.00 175.02 174.70 1ljo s VAL 4 N -3.39 4.77 0.34 5.16 1.01 -1.26 -5.07 120.40 121.96 1ljo s VAL 4 Ca -0.00 -0.05 -0.28 0.00 0.00 0.00 0.00 61.98 61.65 1ljo s VAL 4 Cb -0.00 -3.27 -0.10 0.00 0.00 0.00 0.00 36.38 33.01 1ljo s VAL 4 CO -0.09 0.28 1.32 -0.76 0.00 0.00 0.00 175.10 175.85 1ljo s LEU 5 N 1.68 4.40 0.20 3.92 1.43 -1.26 -4.87 118.68 124.17 1ljo s LEU 5 Ca 0.07 2.72 -0.12 0.00 -1.03 0.00 0.00 54.13 55.77 1ljo s LEU 5 Cb -0.16 -3.67 0.23 0.00 0.03 0.00 0.00 46.19 42.62 1ljo s LEU 5 CO 0.07 -0.60 1.70 -0.65 0.23 0.00 0.00 176.35 177.11 1ljo h PRO 6 N 3.27 0.21 -0.50 1.29 0.11 -1.99 -0.02 132.00 134.36 1ljo h PRO 6 Ca -0.49 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.62 1ljo h PRO 6 Cb 1.23 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1ljo h PRO 6 CO 0.65 0.14 0.33 -0.91 -0.21 0.00 0.00 178.00 178.00 1ljo h ASN 7 N 0.21 0.54 -0.40 -2.05 -0.26 -1.97 0.11 115.58 111.77 1ljo h ASN 7 Ca 0.27 -0.01 -0.06 0.00 -0.56 0.00 0.00 56.30 55.94 1ljo h ASN 7 Cb 0.39 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.51 1ljo h ASN 7 CO -0.38 0.39 0.01 1.56 -1.06 0.00 0.00 177.43 177.95 1ljo h GLN 8 N 0.64 0.70 -0.13 0.81 4.20 -1.44 -1.73 115.11 118.16 1ljo h GLN 8 Ca 0.19 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 1ljo h GLN 8 Cb -0.01 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1ljo h GLN 8 CO -0.05 0.79 0.06 1.98 -0.67 0.00 0.00 178.83 180.94 1ljo h MET 9 N 0.54 0.19 -0.93 1.46 4.05 -0.06 -2.25 114.93 117.93 1ljo h MET 9 Ca 0.11 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.50 1ljo h MET 9 Cb 0.47 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.19 1ljo h MET 9 CO 0.02 0.26 0.56 0.28 0.23 0.00 0.00 176.91 178.26 1ljo h VAL 10 N 0.08 1.25 -0.20 -5.77 2.07 -0.96 -1.95 116.25 110.78 1ljo h VAL 10 Ca 0.04 -0.55 -0.06 0.00 0.82 0.00 0.00 66.70 66.96 1ljo h VAL 10 Cb 0.13 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 1ljo h VAL 10 CO -0.01 0.27 -0.13 0.50 0.02 0.00 0.00 177.57 178.22 1ljo h LYS 11 N 1.28 0.33 0.00 1.57 3.64 -1.17 -1.38 116.57 120.82 1ljo h LYS 11 Ca 0.33 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1ljo h LYS 11 Cb -0.06 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1ljo h LYS 11 CO -0.06 0.47 0.00 0.66 -2.27 0.00 0.00 179.45 178.24 1ljo h SER 12 N 0.31 0.00 0.42 4.20 4.64 -0.74 -2.05 113.55 120.32 1ljo h SER 12 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1ljo h SER 12 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1ljo h SER 12 CO 0.03 0.00 -0.16 0.23 -0.87 0.00 0.00 176.83 176.06 1ljo n MET 13 N -2.46 0.58 -1.82 4.77 2.81 -0.52 -4.90 117.12 115.58 1ljo n MET 13 Ca 0.01 -0.22 -0.41 0.00 -1.81 0.00 0.00 57.70 55.26 1ljo n MET 13 Cb 0.19 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.20 1ljo n MET 13 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1ljo s VAL 14 N -2.58 2.16 0.00 2.03 1.01 -0.77 -1.47 120.40 120.78 1ljo s VAL 14 Ca 0.25 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1ljo s VAL 14 Cb 0.20 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.49 1ljo s VAL 14 CO 0.51 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1ljo n GLY 15 N 1.76 1.47 3.65 4.51 0.00 0.14 -4.99 105.19 111.72 1ljo n GLY 15 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 1ljo n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ljo s LYS 16 N -0.42 2.07 -0.02 1.61 1.02 -0.54 -4.84 119.74 118.61 1ljo s LYS 16 Ca 0.00 -1.89 -0.27 0.00 0.02 0.00 0.00 55.97 53.83 1ljo s LYS 16 Cb 0.00 -1.85 -0.03 0.00 -0.52 0.00 0.00 37.83 35.43 1ljo s LYS 16 CO 0.00 0.01 0.85 0.42 -0.92 0.00 0.00 175.35 175.72 1ljo s ILE 17 N -2.60 4.93 0.17 2.17 -1.09 -1.26 -1.24 121.20 122.28 1ljo s ILE 17 Ca 0.36 1.79 0.05 0.00 -2.23 0.00 0.00 60.65 60.62 1ljo s ILE 17 Cb 0.04 -4.19 -0.05 0.00 -1.58 0.00 0.00 42.46 36.68 1ljo s ILE 17 CO 0.20 0.21 -0.08 0.27 -1.23 0.00 0.00 174.94 174.30 1ljo s ILE 18 N 0.85 1.19 -0.10 2.92 -4.36 -0.46 -0.20 121.20 121.05 1ljo s ILE 18 Ca 0.45 -2.07 0.03 0.00 -0.26 0.00 0.00 60.65 58.81 1ljo s ILE 18 Cb -0.20 -1.97 -0.01 0.00 1.25 0.00 0.00 42.46 41.54 1ljo s ILE 18 CO 0.24 -0.64 -0.21 -0.60 0.24 0.00 0.00 174.94 173.96 1ljo s ARG 19 N -3.76 3.03 -0.05 0.37 3.52 0.52 -2.16 118.95 120.40 1ljo s ARG 19 Ca 0.20 -0.83 0.04 0.00 -0.13 0.00 0.00 55.73 55.01 1ljo s ARG 19 Cb 0.03 -2.37 0.00 0.00 -1.56 0.00 0.00 34.95 31.05 1ljo s ARG 19 CO 0.03 0.24 -0.16 0.08 -0.81 0.00 0.00 175.30 174.68 1ljo s VAL 20 N 0.20 1.41 -0.22 7.11 1.01 0.10 -0.81 120.40 129.21 1ljo s VAL 20 Ca -0.13 -0.68 -0.07 0.00 0.00 0.00 0.00 61.98 61.11 1ljo s VAL 20 Cb -0.16 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 1ljo s VAL 20 CO 0.07 0.41 0.05 -0.70 0.00 0.00 0.00 175.10 174.92 1ljo s GLU 21 N 0.22 3.73 0.03 2.72 2.12 -0.33 -1.12 118.70 126.08 1ljo s GLU 21 Ca -0.08 -0.46 0.01 0.00 0.36 0.00 0.00 54.97 54.80 1ljo s GLU 21 Cb -0.13 -3.22 -0.04 0.00 0.26 0.00 0.00 34.13 31.00 1ljo s GLU 21 CO 0.03 -0.00 0.09 -1.64 -0.54 0.00 0.00 175.26 173.20 1ljo s MET 22 N 1.10 3.03 0.17 4.30 -1.94 -1.26 -0.12 119.30 124.58 1ljo s MET 22 Ca 0.04 -0.56 -0.13 0.00 -1.71 0.00 0.00 55.69 53.33 1ljo s MET 22 Cb -0.14 -2.83 0.06 0.00 2.01 0.00 0.00 34.83 33.93 1ljo s MET 22 CO 0.03 0.61 1.74 -0.22 -0.01 0.00 0.00 175.02 177.18 1ljo h LYS 23 N 3.71 0.81 -1.12 2.03 3.64 -0.86 -2.84 116.57 121.93 1ljo h LYS 23 Ca -0.48 -0.12 -0.48 0.00 -1.27 0.00 0.00 60.65 58.30 1ljo h LYS 23 Cb 1.17 -0.14 -0.23 0.00 -0.41 0.00 0.00 32.23 32.62 1ljo h LYS 23 CO 0.65 0.67 0.61 0.41 -2.27 0.00 0.00 179.45 179.52 1ljo n GLY 24 N -0.91 4.61 3.05 5.01 0.00 -1.26 -4.86 105.19 110.83 1ljo n GLY 24 Ca 0.03 -1.38 -0.13 0.00 0.00 0.00 0.00 46.02 44.55 1ljo n GLY 24 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ljo s GLU 25 N -2.82 0.20 0.17 1.61 0.41 -1.07 -5.05 118.70 112.16 1ljo s GLU 25 Ca 0.48 0.44 0.18 0.00 -0.41 0.00 0.00 54.97 55.65 1ljo s GLU 25 Cb 0.39 -0.06 -0.02 0.00 -1.78 0.00 0.00 34.13 32.66 1ljo s GLU 25 CO 0.04 -0.12 1.09 1.05 -0.49 0.00 0.00 175.26 176.82 1ljo h GLU 26 N 6.79 0.00 -6.24 1.61 4.11 -1.89 -3.40 114.58 115.56 1ljo h GLU 26 Ca -0.37 0.00 -0.61 0.00 0.07 0.00 0.00 59.36 58.46 1ljo h GLU 26 Cb 1.17 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.33 1ljo h GLU 26 CO 0.38 0.28 -0.60 -0.80 0.07 0.00 0.00 179.01 178.34 1ljo s ASN 27 N -5.93 5.34 0.53 3.06 0.01 -1.26 -5.04 114.94 111.65 1ljo s ASN 27 Ca 0.00 -0.14 -0.08 0.00 -0.71 0.00 0.00 52.86 51.92 1ljo s ASN 27 Cb 0.08 -1.36 -0.04 0.00 0.41 0.00 0.00 41.25 40.34 1ljo s ASN 27 CO 0.78 0.12 0.89 -1.10 -1.51 0.00 0.00 177.10 176.27 1ljo s GLN 28 N -2.77 3.61 -0.13 -0.60 1.11 0.51 -4.71 119.66 116.68 1ljo s GLN 28 Ca 0.29 0.48 -0.02 0.00 0.01 0.00 0.00 55.36 56.12 1ljo s GLN 28 Cb -0.11 -2.25 -0.03 0.00 -1.01 0.00 0.00 33.01 29.62 1ljo s GLN 28 CO 0.22 -0.34 -0.05 -0.51 0.01 0.00 0.00 175.29 174.62 1ljo s LEU 29 N -4.80 3.22 -0.08 2.90 2.01 -0.27 -0.02 118.68 121.64 1ljo s LEU 29 Ca 0.51 -0.09 0.02 0.00 0.01 0.00 0.00 54.13 54.58 1ljo s LEU 29 Cb -0.11 -1.75 0.01 0.00 0.01 0.00 0.00 46.19 44.36 1ljo s LEU 29 CO 0.47 0.23 -0.14 -0.69 1.01 0.00 0.00 176.35 177.23 1ljo s VAL 30 N -0.02 1.30 0.03 -1.59 1.01 -0.25 0.03 120.40 120.90 1ljo s VAL 30 Ca 0.01 -0.55 -0.27 0.00 0.00 0.00 0.00 61.98 61.17 1ljo s VAL 30 Cb -0.13 -1.18 0.09 0.00 0.00 0.00 0.00 36.38 35.15 1ljo s VAL 30 CO 0.03 0.40 1.23 -0.83 0.00 0.00 0.00 175.10 175.92 1ljo s GLY 31 N 0.80 -0.05 -0.10 4.51 0.00 -0.92 -0.45 107.32 111.11 1ljo s GLY 31 Ca -0.11 -0.09 -0.25 0.00 0.00 0.00 0.00 44.72 44.27 1ljo s GLY 31 CO 0.02 5.09 0.80 1.25 0.00 0.00 0.00 173.10 180.27 1ljo s LYS 32 N -2.03 4.39 -0.53 2.90 2.20 -0.53 -1.36 119.74 124.79 1ljo s LYS 32 Ca 0.28 1.02 -0.28 0.00 -0.36 0.00 0.00 55.97 56.63 1ljo s LYS 32 Cb -0.01 -3.51 0.02 0.00 -1.51 0.00 0.00 37.83 32.82 1ljo s LYS 32 CO 0.01 -0.13 1.26 -1.17 -0.36 0.00 0.00 175.35 174.96 1ljo s LEU 33 N 1.43 3.50 0.07 5.43 2.96 -0.37 -1.11 118.68 130.60 1ljo s LEU 33 Ca 0.40 0.34 0.22 0.00 -0.22 0.00 0.00 54.13 54.87 1ljo s LEU 33 Cb -0.18 -3.29 -0.17 0.00 0.50 0.00 0.00 46.19 43.05 1ljo s LEU 33 CO 0.17 -1.47 0.73 -0.62 -1.32 0.00 0.00 176.35 173.84 1ljo n GLU 34 N 8.29 0.63 -3.56 1.98 -0.58 0.43 0.26 120.64 128.10 1ljo n GLU 34 Ca 0.11 -0.02 -0.10 0.00 -0.42 0.00 0.00 57.16 56.73 1ljo n GLU 34 Cb 0.49 -1.68 -0.05 0.00 -0.57 0.00 0.00 31.44 29.64 1ljo n GLU 34 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1ljo s GLY 35 N -4.52 -0.32 0.04 0.62 0.00 -1.01 -4.87 107.32 97.26 1ljo s GLY 35 Ca -0.04 1.81 -0.20 0.00 0.00 0.00 0.00 44.72 46.29 1ljo s GLY 35 CO 0.85 0.90 0.46 0.54 0.00 0.00 0.00 173.10 175.84 1ljo s VAL 36 N -1.48 0.04 0.46 1.40 0.11 -1.26 -0.70 120.40 118.98 1ljo s VAL 36 Ca -0.01 -0.36 0.03 0.00 -2.93 0.00 0.00 61.98 58.70 1ljo s VAL 36 Cb -0.01 -0.94 -0.01 0.00 -1.53 0.00 0.00 36.38 33.90 1ljo s VAL 36 CO 0.00 -0.20 0.09 -0.90 -3.33 0.00 0.00 175.10 170.76 1ljo n ASP 37 N 0.55 2.12 0.30 3.54 5.68 -1.16 -4.98 116.55 122.60 1ljo n ASP 37 Ca -0.19 -3.26 0.20 0.00 -0.50 0.00 0.00 54.79 51.05 1ljo n ASP 37 Cb 0.60 0.79 1.01 0.00 -1.14 0.00 0.00 41.12 42.37 1ljo n ASP 37 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1ljo h ASP 38 N 1.51 0.00 -0.39 -1.12 3.32 -1.99 0.33 116.42 118.08 1ljo h ASP 38 Ca -0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1ljo h ASP 38 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1ljo h ASP 38 CO 0.60 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.90 1ljo n TYR 39 N -2.97 0.51 -2.13 4.55 4.02 -1.26 -4.92 117.16 114.96 1ljo n TYR 39 Ca -0.02 -0.25 -0.16 0.00 -0.01 0.00 0.00 57.90 57.45 1ljo n TYR 39 Cb 0.13 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.43 1ljo n TYR 39 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 1ljo n MET 40 N 0.86 -1.27 -2.25 -0.72 2.81 0.11 -4.27 117.12 112.39 1ljo n MET 40 Ca 0.17 0.85 -0.37 0.00 -1.81 0.00 0.00 57.70 56.54 1ljo n MET 40 Cb 0.42 -5.22 -0.01 0.00 -0.71 0.00 0.00 33.22 27.71 1ljo n MET 40 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1ljo s ASN 41 N -2.38 6.12 -0.01 7.83 0.01 -1.26 -3.77 114.94 121.48 1ljo s ASN 41 Ca 0.00 2.31 0.05 0.00 -0.71 0.00 0.00 52.86 54.51 1ljo s ASN 41 Cb 0.00 -2.60 -0.01 0.00 0.41 0.00 0.00 41.25 39.04 1ljo s ASN 41 CO 0.00 -0.95 -0.17 -0.76 -1.51 0.00 0.00 177.10 173.71 1ljo s LEU 42 N -3.09 2.04 -0.26 0.60 1.43 -0.11 -2.96 118.68 116.32 1ljo s LEU 42 Ca 0.64 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 53.45 1ljo s LEU 42 Cb -0.28 -0.87 0.05 0.00 0.03 0.00 0.00 46.19 45.12 1ljo s LEU 42 CO 0.34 0.20 -0.09 -0.47 0.23 0.00 0.00 176.35 176.57 1ljo s TYR 43 N -0.41 3.21 0.06 0.29 5.04 0.12 0.40 117.35 126.07 1ljo s TYR 43 Ca 0.06 -2.11 0.04 0.00 -2.44 0.00 0.00 57.07 52.63 1ljo s TYR 43 Cb -0.07 -1.98 -0.04 0.00 0.35 0.00 0.00 41.96 40.23 1ljo s TYR 43 CO -0.01 -0.84 -0.02 -0.51 -1.34 0.00 0.00 175.55 172.83 1ljo s LEU 44 N 1.17 3.38 0.21 6.97 1.43 -0.40 -0.43 118.68 131.00 1ljo s LEU 44 Ca -0.06 -0.16 0.09 0.00 -1.03 0.00 0.00 54.13 52.97 1ljo s LEU 44 Cb -0.19 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.92 1ljo s LEU 44 CO -0.05 0.21 -0.17 0.42 0.23 0.00 0.00 176.35 176.99 1ljo s THR 45 N -1.21 1.95 -1.38 5.49 -4.23 -0.27 -1.45 115.64 114.54 1ljo s THR 45 Ca 0.23 -2.14 -0.04 0.00 -1.18 0.00 0.00 61.69 58.56 1ljo s THR 45 Cb -0.11 -2.03 0.02 0.00 1.34 0.00 0.00 72.50 71.72 1ljo s THR 45 CO 0.14 -0.43 0.29 0.59 -0.54 0.00 0.00 174.62 174.67 1ljo n ASN 46 N -0.16 -4.84 -4.84 3.99 3.02 -1.05 -1.45 115.26 109.93 1ljo n ASN 46 Ca -0.09 -0.12 -0.32 0.00 -0.03 0.00 0.00 54.58 54.02 1ljo n ASN 46 Cb 0.59 -4.01 0.00 0.00 -0.61 0.00 0.00 39.78 35.76 1ljo n ASN 46 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ljo s ALA 47 N -2.93 2.95 0.05 5.41 0.00 0.09 -4.60 121.76 122.72 1ljo s ALA 47 Ca 0.18 0.12 -0.09 0.00 0.00 0.00 0.00 51.96 52.17 1ljo s ALA 47 Cb -0.09 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1ljo s ALA 47 CO 0.22 -0.67 0.19 0.00 0.00 0.00 0.00 175.76 175.50 1ljo s MET 48 N -4.60 0.71 -0.16 0.00 0.23 0.40 -0.85 119.30 115.02 1ljo s MET 48 Ca 0.58 -0.68 -0.15 0.00 -1.03 0.00 0.00 55.69 54.41 1ljo s MET 48 Cb -0.12 0.29 -0.04 0.00 -1.53 0.00 0.00 34.83 33.42 1ljo s MET 48 CO 0.44 -0.20 0.33 -2.00 -2.03 0.00 0.00 175.02 171.55 1ljo s GLU 49 N -2.74 4.26 0.15 3.16 2.12 0.12 -1.09 118.70 124.68 1ljo s GLU 49 Ca -0.04 0.15 0.03 0.00 0.36 0.00 0.00 54.97 55.47 1ljo s GLU 49 Cb -0.00 -3.45 -0.05 0.00 0.26 0.00 0.00 34.13 30.90 1ljo s GLU 49 CO -0.05 0.18 -0.06 0.00 -0.54 0.00 0.00 175.26 174.79 1ljo n LYS 51 N -0.20 1.11 0.00 0.00 5.02 0.61 -0.37 118.16 124.34 1ljo n LYS 51 Ca -0.09 -3.89 0.00 0.00 -2.02 0.00 0.00 58.31 52.30 1ljo n LYS 51 Cb 0.62 -1.99 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 1ljo n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ljo n GLY 52 N 2.29 0.44 0.51 0.72 0.00 -1.26 -2.79 105.19 105.09 1ljo n GLY 52 Ca 0.25 -0.73 0.10 0.00 0.00 0.00 0.00 46.02 45.63 1ljo n GLY 52 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ljo n GLU 53 N 11.19 1.66 -3.45 1.61 -0.58 -1.26 -4.82 120.64 125.00 1ljo n GLU 53 Ca 0.00 -1.00 -0.39 0.00 -0.42 0.00 0.00 57.16 55.34 1ljo n GLU 53 Cb 0.00 -1.37 -0.10 0.00 -0.57 0.00 0.00 31.44 29.41 1ljo n GLU 53 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1ljo s GLU 54 N -1.78 3.88 0.00 3.49 0.41 -1.12 -5.06 118.70 118.51 1ljo s GLU 54 Ca 0.31 -0.17 -0.29 0.00 -0.41 0.00 0.00 54.97 54.41 1ljo s GLU 54 Cb 0.16 -3.70 -0.03 0.00 -1.78 0.00 0.00 34.13 28.78 1ljo s GLU 54 CO 0.24 -0.32 0.93 0.21 -0.49 0.00 0.00 175.26 175.83 1ljo s LYS 55 N 1.97 4.55 -0.01 1.61 2.47 -1.26 -0.28 119.74 128.79 1ljo s LYS 55 Ca 0.12 1.32 0.02 0.00 -1.56 0.00 0.00 55.97 55.87 1ljo s LYS 55 Cb -0.16 -3.45 -0.02 0.00 -1.46 0.00 0.00 37.83 32.74 1ljo s LYS 55 CO 0.11 0.00 0.02 1.33 0.16 0.00 0.00 175.35 176.97 1ljo n VAL 56 N 3.74 0.08 -3.71 4.02 0.24 -0.01 -4.96 118.33 117.73 1ljo n VAL 56 Ca 0.04 -0.06 -0.13 0.00 -2.04 0.00 0.00 64.34 62.14 1ljo n VAL 56 Cb 0.51 -0.49 -0.09 0.00 -1.47 0.00 0.00 33.84 32.29 1ljo n VAL 56 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1ljo s ARG 57 N -2.07 0.57 -0.04 7.34 0.52 -1.12 -4.98 118.95 119.17 1ljo s ARG 57 Ca -0.01 0.69 -0.18 0.00 -0.52 0.00 0.00 55.73 55.71 1ljo s ARG 57 Cb 0.01 0.28 -0.05 0.00 0.52 0.00 0.00 34.95 35.71 1ljo s ARG 57 CO 0.07 -0.07 0.49 -1.12 0.02 0.00 0.00 175.30 174.70 1ljo s SER 58 N 0.27 6.82 -0.00 0.23 0.01 -1.26 0.16 113.70 119.93 1ljo s SER 58 Ca -0.00 0.98 0.00 0.00 1.31 0.00 0.00 55.95 58.24 1ljo s SER 58 Cb -0.03 -2.30 -0.00 0.00 0.21 0.00 0.00 66.02 63.89 1ljo s SER 58 CO 0.01 0.14 -0.00 0.18 0.41 0.00 0.00 173.24 173.97 1ljo n LEU 59 N 2.76 1.60 0.00 2.44 4.77 -0.03 -4.91 117.00 123.62 1ljo n LEU 59 Ca -0.09 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1ljo n LEU 59 Cb 0.52 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1ljo n LEU 59 CO 0.41 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 1ljo n GLY 60 N 3.24 1.14 3.70 -0.72 0.00 -0.49 -4.77 105.19 107.29 1ljo n GLY 60 Ca -0.01 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 1ljo n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ljo s GLU 61 N 0.00 4.41 0.02 1.61 2.02 -1.26 -0.74 118.70 124.76 1ljo s GLU 61 Ca 0.00 1.06 -0.09 0.00 0.02 0.00 0.00 54.97 55.96 1ljo s GLU 61 Cb 0.00 -3.50 0.00 0.00 0.10 0.00 0.00 34.13 30.73 1ljo s GLU 61 CO 0.00 -0.12 0.18 0.96 0.02 0.00 0.00 175.26 176.30 1ljo s ILE 62 N 1.39 0.09 -0.15 -1.63 -4.36 -0.53 -5.02 121.20 111.00 1ljo s ILE 62 Ca 0.41 -0.77 0.01 0.00 -0.26 0.00 0.00 60.65 60.04 1ljo s ILE 62 Cb -0.18 -0.68 0.00 0.00 1.25 0.00 0.00 42.46 42.86 1ljo s ILE 62 CO 0.18 -0.42 -0.18 -0.69 0.24 0.00 0.00 174.94 174.06 1ljo s VAL 63 N -1.93 2.36 -0.17 8.37 1.01 -1.26 -1.28 120.40 127.51 1ljo s VAL 63 Ca -0.10 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 60.93 1ljo s VAL 63 Cb -0.04 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 1ljo s VAL 63 CO -0.01 0.53 0.08 -0.76 0.00 0.00 0.00 175.10 174.95 1ljo s LEU 64 N 0.85 3.96 -0.09 3.92 1.43 0.16 -4.95 118.68 123.96 1ljo s LEU 64 Ca -0.05 0.18 -0.30 0.00 -1.03 0.00 0.00 54.13 52.93 1ljo s LEU 64 Cb -0.15 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 1ljo s LEU 64 CO -0.02 0.23 1.26 -0.60 0.23 0.00 0.00 176.35 177.46 1ljo s ARG 65 N 0.04 4.29 0.24 1.70 6.06 -1.26 -0.93 118.95 129.09 1ljo s ARG 65 Ca 0.07 1.72 -0.04 0.00 -2.50 0.00 0.00 55.73 54.98 1ljo s ARG 65 Cb -0.12 -3.65 0.46 0.00 0.06 0.00 0.00 34.95 31.70 1ljo s ARG 65 CO 0.00 -0.57 1.72 0.78 -2.50 0.00 0.00 175.30 174.73 1ljo h GLY 66 N 8.85 1.13 1.60 8.12 0.00 -1.74 -1.44 103.07 119.57 1ljo h GLY 66 Ca -0.32 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1ljo h GLY 66 CO 0.92 -0.12 0.00 1.16 0.00 0.00 0.00 176.54 178.50 1ljo n ASN 67 N -5.03 0.00 -0.68 0.19 6.94 -1.26 -1.92 115.26 113.50 1ljo n ASN 67 Ca 0.14 0.07 0.07 0.00 -0.02 0.00 0.00 54.58 54.84 1ljo n ASN 67 Cb 0.42 -0.30 0.13 0.00 -2.36 0.00 0.00 39.78 37.67 1ljo n ASN 67 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1ljo n ASN 68 N -1.30 2.68 -4.73 0.53 3.02 -0.55 -4.94 115.26 109.97 1ljo n ASN 68 Ca 0.08 -1.80 -0.41 0.00 -0.03 0.00 0.00 54.58 52.42 1ljo n ASN 68 Cb 0.14 -0.15 -0.04 0.00 -0.61 0.00 0.00 39.78 39.12 1ljo n ASN 68 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ljo s VAL 69 N -1.08 4.57 -0.20 2.41 1.01 -0.81 -0.15 120.40 126.15 1ljo s VAL 69 Ca 0.23 1.99 -0.13 0.00 0.00 0.00 0.00 61.98 64.07 1ljo s VAL 69 Cb 0.13 -4.28 -0.09 0.00 0.00 0.00 0.00 36.38 32.14 1ljo s VAL 69 CO 0.19 0.32 -0.30 0.52 0.00 0.00 0.00 175.10 175.82 1ljo n VAL 70 N 2.86 1.35 -3.85 2.92 0.31 0.84 -4.83 118.33 117.93 1ljo n VAL 70 Ca 0.02 -0.17 -0.12 0.00 -0.01 0.00 0.00 64.34 64.06 1ljo n VAL 70 Cb 0.49 -1.95 -0.12 0.00 -0.91 0.00 0.00 33.84 31.35 1ljo n VAL 70 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1ljo s LEU 71 N -7.43 1.64 -0.07 7.52 0.20 -1.09 -4.99 118.68 114.45 1ljo s LEU 71 Ca -0.30 0.11 0.04 0.00 0.69 0.00 0.00 54.13 54.67 1ljo s LEU 71 Cb 0.10 0.38 0.00 0.00 -0.43 0.00 0.00 46.19 46.23 1ljo s LEU 71 CO 0.40 -0.09 -0.19 -0.63 -0.29 0.00 0.00 176.35 175.54 1ljo s ILE 72 N -0.21 1.66 -0.05 6.68 1.01 -1.26 -1.18 121.20 127.84 1ljo s ILE 72 Ca -0.03 -0.81 -0.00 0.00 0.00 0.00 0.00 60.65 59.81 1ljo s ILE 72 Cb -0.02 -1.44 0.03 0.00 0.01 0.00 0.00 42.46 41.04 1ljo s ILE 72 CO 0.00 0.47 -0.01 -1.58 0.00 0.00 0.00 174.94 173.83 1ljo s GLN 73 N 0.26 0.49 0.45 2.79 0.74 0.01 -4.98 119.66 119.42 1ljo s GLN 73 Ca -0.11 0.06 -0.25 0.00 0.05 0.00 0.00 55.36 55.10 1ljo s GLN 73 Cb -0.15 -0.71 -0.09 0.00 1.10 0.00 0.00 33.01 33.16 1ljo s GLN 73 CO 0.05 -0.18 1.40 -2.30 -0.55 0.00 0.00 175.29 173.71 1ljo n PRO 74 N 4.47 2.19 0.00 1.67 -0.02 -1.26 -0.36 135.00 141.69 1ljo n PRO 74 Ca -0.19 0.78 0.13 0.00 -2.02 0.00 0.00 63.50 62.19 1ljo n PRO 74 Cb 0.50 -2.58 0.26 0.00 -0.02 0.00 0.00 33.50 31.66 1ljo n PRO 74 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42