#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ieu n LYS 2 N 0.00 -3.26 -1.72 -0.67 4.81 -1.26 -4.54 118.16 111.53 1ieu n LYS 2 Ca 0.00 2.52 -0.42 0.00 -0.87 0.00 0.00 58.31 59.54 1ieu n LYS 2 Cb 0.00 -3.86 -0.03 0.00 0.02 0.00 0.00 35.03 31.16 1ieu n LYS 2 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 1ieu s ASP 3 N -7.29 6.15 -0.41 3.14 -4.77 -1.26 -4.90 116.67 107.33 1ieu s ASP 3 Ca 0.00 2.31 -0.28 0.00 -3.30 0.00 0.00 52.55 51.27 1ieu s ASP 3 Cb 0.00 -2.52 0.00 0.00 -1.09 0.00 0.00 42.92 39.31 1ieu s ASP 3 CO 0.00 -1.34 1.53 -0.69 0.70 0.00 0.00 175.17 175.37 1ieu s VAL 4 N 5.67 3.76 -0.29 2.11 1.01 -1.26 -4.81 120.40 126.59 1ieu s VAL 4 Ca 0.89 0.75 -0.08 0.00 0.00 0.00 0.00 61.98 63.55 1ieu s VAL 4 Cb -0.37 -4.07 -0.00 0.00 0.00 0.00 0.00 36.38 31.93 1ieu s VAL 4 CO 0.38 -0.72 0.10 -0.75 0.00 0.00 0.00 175.10 174.11 1ieu s LYS 5 N 5.27 3.29 0.34 2.72 2.20 -1.26 -4.78 119.74 127.52 1ieu s LYS 5 Ca 0.65 -0.73 -0.26 0.00 -0.36 0.00 0.00 55.97 55.28 1ieu s LYS 5 Cb -0.16 -3.42 -0.10 0.00 -1.51 0.00 0.00 37.83 32.64 1ieu s LYS 5 CO 0.32 -0.38 0.98 0.71 -0.36 0.00 0.00 175.35 176.61 1ieu s TYR 6 N 1.56 3.58 -0.06 4.03 2.02 -1.26 -1.98 117.35 125.24 1ieu s TYR 6 Ca 0.04 1.74 0.08 0.00 -0.37 0.00 0.00 57.07 58.57 1ieu s TYR 6 Cb -0.17 -2.98 0.13 0.00 -0.40 0.00 0.00 41.96 38.54 1ieu s TYR 6 CO 0.04 -0.03 1.04 0.66 -1.57 0.00 0.00 175.55 175.69 1ieu n TYR 7 N 0.40 0.00 -1.63 2.71 4.01 -1.15 -4.90 117.16 116.61 1ieu n TYR 7 Ca 0.03 -0.67 0.00 0.00 -0.16 0.00 0.00 57.90 57.10 1ieu n TYR 7 Cb 0.50 -0.09 0.00 0.00 -0.31 0.00 0.00 39.34 39.44 1ieu n TYR 7 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1ieu n THR 8 N -0.87 -5.21 0.26 -0.72 -2.24 -1.26 -3.87 114.28 100.36 1ieu n THR 8 Ca 0.07 2.35 0.10 0.00 -2.27 0.00 0.00 64.05 64.30 1ieu n THR 8 Cb 0.46 -3.18 0.68 0.00 -2.10 0.00 0.00 70.33 66.19 1ieu n THR 8 CO 0.00 0.00 0.00 0.17 -0.57 0.00 0.00 175.07 174.67 1ieu h LEU 9 N 2.44 0.00 -1.18 3.22 -0.00 -1.94 -1.52 115.31 116.32 1ieu h LEU 9 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.80 1ieu h LEU 9 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 1ieu h LEU 9 CO 0.00 0.10 -0.29 -0.33 -0.00 0.00 0.00 178.44 177.93 1ieu h GLU 10 N 0.00 0.20 -0.05 0.17 5.08 -1.99 -2.53 114.58 115.46 1ieu h GLU 10 Ca -0.00 -0.07 -0.17 0.00 -1.00 0.00 0.00 59.36 58.11 1ieu h GLU 10 Cb 0.22 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1ieu h GLU 10 CO 0.01 0.48 -0.72 1.49 -1.00 0.00 0.00 179.01 179.27 1ieu h GLU 11 N 0.18 0.29 0.19 2.33 4.81 -1.39 -1.61 114.58 119.39 1ieu h GLU 11 Ca 0.03 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.00 1ieu h GLU 11 Cb 0.61 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.04 1ieu h GLU 11 CO 0.04 0.90 -0.09 0.82 -0.73 0.00 0.00 179.01 179.95 1ieu h ILE 12 N 0.20 0.91 0.00 2.32 2.04 -1.32 -2.83 117.51 118.83 1ieu h ILE 12 Ca -0.03 -0.59 -0.04 0.00 1.00 0.00 0.00 64.86 65.21 1ieu h ILE 12 Cb 1.29 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 1ieu h ILE 12 CO 0.12 0.13 -0.17 1.56 0.00 0.00 0.00 178.15 179.79 1ieu h GLN 13 N -0.55 0.00 -0.06 2.37 7.50 -1.51 -2.45 115.11 120.41 1ieu h GLN 13 Ca -0.03 0.00 0.02 0.00 0.50 0.00 0.00 58.65 59.14 1ieu h GLN 13 Cb 0.41 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.94 1ieu h GLN 13 CO 0.04 0.17 0.10 -0.22 -1.50 0.00 0.00 178.83 177.42 1ieu h LYS 14 N 0.00 0.00 0.00 1.46 3.11 -1.03 -3.27 116.57 116.85 1ieu h LYS 14 Ca -0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1ieu h LYS 14 Cb 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.69 1ieu h LYS 14 CO 0.02 0.00 0.00 0.72 -2.81 0.00 0.00 179.45 177.38 1ieu n HIS 15 N -3.55 0.00 -2.24 1.91 8.25 -0.92 -4.90 115.22 113.77 1ieu n HIS 15 Ca -0.01 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.26 1ieu n HIS 15 Cb 0.19 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.27 1ieu n HIS 15 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1ieu n LYS 16 N -0.48 -1.76 -3.87 -0.41 5.02 -1.23 -4.96 118.16 110.46 1ieu n LYS 16 Ca 0.00 0.93 -0.25 0.00 -2.02 0.00 0.00 58.31 56.96 1ieu n LYS 16 Cb 0.00 -5.52 -0.02 0.00 -0.02 0.00 0.00 35.03 29.48 1ieu n LYS 16 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ieu s ASP 17 N -2.14 4.66 -0.08 4.39 1.01 -1.26 -5.06 116.67 118.19 1ieu s ASP 17 Ca 0.00 -1.17 0.08 0.00 0.71 0.00 0.00 52.55 52.17 1ieu s ASP 17 Cb 0.00 0.21 -0.11 0.00 1.01 0.00 0.00 42.92 44.03 1ieu s ASP 17 CO 0.00 -1.00 0.04 -1.54 0.21 0.00 0.00 175.17 172.88 1ieu n SER 18 N -1.69 2.84 0.24 0.27 3.41 -1.26 -4.35 113.62 113.08 1ieu n SER 18 Ca -0.01 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.67 1ieu n SER 18 Cb 0.64 0.75 0.58 0.00 -0.26 0.00 0.00 64.21 65.91 1ieu n SER 18 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1ieu h LYS 19 N 0.00 0.00 -0.51 4.33 3.64 -1.99 -3.41 116.57 118.63 1ieu h LYS 19 Ca -0.23 0.00 0.18 0.00 -1.27 0.00 0.00 60.65 59.34 1ieu h LYS 19 Cb 1.49 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 33.11 1ieu h LYS 19 CO 0.01 0.12 -0.03 0.45 -2.27 0.00 0.00 179.45 177.74 1ieu s SER 20 N -6.90 -0.75 0.29 4.20 0.15 -1.26 -4.93 113.70 104.50 1ieu s SER 20 Ca -0.04 0.32 -0.05 0.00 0.70 0.00 0.00 55.95 56.88 1ieu s SER 20 Cb 0.16 1.57 -0.01 0.00 -1.71 0.00 0.00 66.02 66.03 1ieu s SER 20 CO 0.67 -0.14 0.42 0.28 1.20 0.00 0.00 173.24 175.67 1ieu s THR 21 N 2.92 0.00 0.28 6.45 -1.32 -1.26 -4.64 115.64 118.08 1ieu s THR 21 Ca 0.11 -1.61 0.06 0.00 -1.21 0.00 0.00 61.69 59.04 1ieu s THR 21 Cb -0.09 -2.49 -0.06 0.00 -1.51 0.00 0.00 72.50 68.35 1ieu s THR 21 CO -0.17 0.00 -0.05 0.26 -2.21 0.00 0.00 174.62 172.45 1ieu s TRP 22 N -3.51 1.92 0.03 9.09 0.51 -1.26 -3.05 118.94 122.67 1ieu s TRP 22 Ca 0.30 -0.73 0.06 0.00 -2.12 0.00 0.00 56.10 53.61 1ieu s TRP 22 Cb 0.01 -1.11 -0.02 0.00 -0.81 0.00 0.00 33.47 31.53 1ieu s TRP 22 CO 0.16 0.24 -0.18 0.08 -0.51 0.00 0.00 176.95 176.73 1ieu s VAL 23 N -3.06 1.46 -0.08 4.03 1.01 -1.10 -4.85 120.40 117.81 1ieu s VAL 23 Ca 0.30 -1.03 -0.18 0.00 0.00 0.00 0.00 61.98 61.07 1ieu s VAL 23 Cb 0.04 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 35.11 1ieu s VAL 23 CO 0.12 0.21 0.49 -0.63 0.00 0.00 0.00 175.10 175.29 1ieu s ILE 24 N -0.70 5.11 -0.08 2.22 1.01 -1.26 -1.76 121.20 125.73 1ieu s ILE 24 Ca 0.06 0.99 -0.03 0.00 0.00 0.00 0.00 60.65 61.67 1ieu s ILE 24 Cb -0.08 -3.82 0.04 0.00 0.01 0.00 0.00 42.46 38.61 1ieu s ILE 24 CO 0.01 0.38 0.06 -0.76 0.00 0.00 0.00 174.94 174.63 1ieu s LEU 25 N 0.22 0.28 -1.30 2.97 1.43 -1.14 -4.83 118.68 116.31 1ieu s LEU 25 Ca 0.27 -0.16 -0.24 0.00 -1.03 0.00 0.00 54.13 52.97 1ieu s LEU 25 Cb -0.16 -0.22 0.03 0.00 0.03 0.00 0.00 46.19 45.87 1ieu s LEU 25 CO 0.12 -0.27 0.52 0.00 0.23 0.00 0.00 176.35 176.95 1ieu n HIS 26 N 5.27 -1.42 -2.78 0.29 1.44 -1.26 -3.06 115.22 113.70 1ieu n HIS 26 Ca -0.05 0.26 -0.06 0.00 -2.01 0.00 0.00 57.72 55.85 1ieu n HIS 26 Cb 0.50 -2.89 0.01 0.00 0.12 0.00 0.00 29.99 27.72 1ieu n HIS 26 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 1ieu n HIS 27 N -4.85 -3.19 -3.64 -1.40 -0.00 -1.26 -5.05 115.22 95.83 1ieu n HIS 27 Ca -0.17 1.28 -0.02 0.00 -0.00 0.00 0.00 57.72 58.80 1ieu n HIS 27 Cb 0.60 -3.92 -0.02 0.00 -0.00 0.00 0.00 29.99 26.65 1ieu n HIS 27 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1ieu s LYS 28 N -2.56 0.07 -0.06 1.57 1.02 -1.17 -4.57 119.74 114.05 1ieu s LYS 28 Ca 0.20 -0.02 0.03 0.00 0.02 0.00 0.00 55.97 56.20 1ieu s LYS 28 Cb -0.06 0.03 -0.03 0.00 -0.52 0.00 0.00 37.83 37.26 1ieu s LYS 28 CO 0.71 -0.03 -0.14 0.08 -0.92 0.00 0.00 175.35 175.05 1ieu s VAL 29 N -1.96 3.07 -0.34 3.17 1.01 -1.15 -2.87 120.40 121.33 1ieu s VAL 29 Ca 0.11 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.41 1ieu s VAL 29 Cb -0.01 -2.21 0.10 0.00 0.00 0.00 0.00 36.38 34.26 1ieu s VAL 29 CO -0.03 0.59 0.06 -0.31 0.00 0.00 0.00 175.10 175.40 1ieu s TYR 30 N -0.65 3.71 -0.83 5.22 1.51 -0.72 -2.56 117.35 123.02 1ieu s TYR 30 Ca 0.10 -2.87 -0.25 0.00 -1.01 0.00 0.00 57.07 53.03 1ieu s TYR 30 Cb -0.11 -2.89 -0.03 0.00 -0.11 0.00 0.00 41.96 38.82 1ieu s TYR 30 CO 0.01 -0.95 1.88 0.34 -1.11 0.00 0.00 175.55 175.72 1ieu s ASP 31 N 1.04 5.28 -0.37 2.29 -1.08 -0.45 -2.72 116.67 120.66 1ieu s ASP 31 Ca 0.09 -0.46 0.07 0.00 -0.52 0.00 0.00 52.55 51.73 1ieu s ASP 31 Cb -0.20 -2.55 0.64 0.00 -1.46 0.00 0.00 42.92 39.36 1ieu s ASP 31 CO -0.07 -2.56 1.76 0.18 0.52 0.00 0.00 175.17 175.00 1ieu n LEU 32 N 13.26 5.83 0.29 -1.34 4.77 -1.17 -4.55 117.00 134.09 1ieu n LEU 32 Ca 0.34 -3.53 0.15 0.00 -0.03 0.00 0.00 56.01 52.94 1ieu n LEU 32 Cb 0.49 -0.75 0.89 0.00 -2.33 0.00 0.00 43.42 41.71 1ieu n LEU 32 CO 0.63 1.02 1.10 0.71 -1.33 0.00 0.00 177.39 179.53 1ieu h THR 33 N 1.45 0.52 0.00 -5.08 1.35 -1.85 -2.28 112.91 107.02 1ieu h THR 33 Ca 0.42 -0.10 -0.03 0.00 -0.55 0.00 0.00 66.41 66.15 1ieu h THR 33 Cb 2.39 1.06 -0.01 0.00 -1.73 0.00 0.00 68.15 69.87 1ieu h THR 33 CO 0.81 0.02 -1.78 0.29 -0.25 0.00 0.00 175.52 174.61 1ieu n LYS 34 N -3.79 0.61 0.00 4.72 5.02 -1.26 -4.32 118.16 119.14 1ieu n LYS 34 Ca -0.03 -0.13 0.11 0.00 -2.02 0.00 0.00 58.31 56.24 1ieu n LYS 34 Cb 0.11 -1.39 0.56 0.00 -0.02 0.00 0.00 35.03 34.30 1ieu n LYS 34 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ieu n PHE 35 N -2.12 0.00 -0.06 2.13 7.35 -0.88 -3.43 117.46 120.44 1ieu n PHE 35 Ca -0.05 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.53 1ieu n PHE 35 Cb 0.49 -0.34 -0.03 0.00 0.35 0.00 0.00 39.48 39.94 1ieu n PHE 35 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1ieu h LEU 36 N 0.00 0.30 -3.49 -2.13 3.38 -1.68 -3.01 115.31 108.67 1ieu h LEU 36 Ca 0.00 -0.10 -0.27 0.00 0.09 0.00 0.00 57.88 57.60 1ieu h LEU 36 Cb 0.27 -0.08 -0.16 0.00 0.09 0.00 0.00 40.66 40.78 1ieu h LEU 36 CO 0.00 0.32 0.04 1.21 0.09 0.00 0.00 178.44 180.10 1ieu n GLU 37 N -4.85 1.97 0.07 1.13 4.07 -1.23 -4.57 120.64 117.23 1ieu n GLU 37 Ca -0.03 -3.20 -0.06 0.00 -0.06 0.00 0.00 57.16 53.80 1ieu n GLU 37 Cb 0.09 -1.91 -0.10 0.00 -0.06 0.00 0.00 31.44 29.46 1ieu n GLU 37 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1ieu h GLU 38 N 1.06 0.00 -4.14 5.31 4.39 -1.55 -3.46 114.58 116.20 1ieu h GLU 38 Ca 0.31 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.81 1ieu h GLU 38 Cb 1.84 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 30.28 1ieu h GLU 38 CO 0.56 0.96 -0.71 -1.01 -1.16 0.00 0.00 179.01 177.65 1ieu s HIS 39 N -2.74 0.37 -0.79 4.33 3.76 -1.26 -5.10 115.29 113.86 1ieu s HIS 39 Ca 0.01 -0.53 -0.24 0.00 -0.15 0.00 0.00 55.06 54.15 1ieu s HIS 39 Cb 0.10 -0.25 0.06 0.00 1.11 0.00 0.00 32.58 33.60 1ieu s HIS 39 CO 0.81 -0.17 1.19 -1.25 -0.85 0.00 0.00 174.74 174.48 1ieu s PRO 40 N -1.54 3.29 0.00 8.40 0.04 -1.26 -4.90 135.00 139.02 1ieu s PRO 40 Ca -0.14 -0.78 0.00 0.00 0.04 0.00 0.00 61.00 60.12 1ieu s PRO 40 Cb -0.10 -4.50 0.00 0.00 0.04 0.00 0.00 34.50 29.94 1ieu s PRO 40 CO -0.01 -2.01 0.00 0.41 0.04 0.00 0.00 177.00 175.43 1ieu n GLY 41 N 5.66 3.29 2.29 0.56 0.00 -1.26 -5.01 105.19 110.72 1ieu n GLY 41 Ca 0.09 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 1ieu n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ieu n GLY 42 N -0.85 5.69 0.96 -0.02 0.00 -1.26 -4.23 105.19 105.48 1ieu n GLY 42 Ca 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.88 1ieu n GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ieu n GLU 43 N -0.95 0.00 0.28 1.61 0.00 -1.26 -4.31 120.64 116.01 1ieu n GLU 43 Ca 0.61 0.00 0.13 0.00 0.00 0.00 0.00 57.16 57.90 1ieu n GLU 43 Cb 0.83 0.00 0.79 0.00 0.00 0.00 0.00 31.44 33.06 1ieu n GLU 43 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 1ieu h GLU 44 N 0.00 0.00 0.00 5.31 4.11 -1.69 -3.32 114.58 118.99 1ieu h GLU 44 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1ieu h GLU 44 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ieu h GLU 44 CO 0.00 0.06 0.00 1.33 0.07 0.00 0.00 179.01 180.47 1ieu n VAL 45 N -3.86 0.00 -0.79 -1.06 0.24 -1.26 -4.77 118.33 106.84 1ieu n VAL 45 Ca -0.03 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.09 1ieu n VAL 45 Cb 0.15 -0.81 0.06 0.00 -1.47 0.00 0.00 33.84 31.78 1ieu n VAL 45 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1ieu n LEU 46 N 0.00 6.29 -2.23 1.34 4.32 -1.26 -4.79 117.00 120.67 1ieu n LEU 46 Ca 0.00 -3.27 -0.21 0.00 -0.02 0.00 0.00 56.01 52.51 1ieu n LEU 46 Cb 0.00 -0.95 -0.03 0.00 -1.62 0.00 0.00 43.42 40.82 1ieu n LEU 46 CO 0.00 1.15 -0.25 -1.14 -1.22 0.00 0.00 177.39 175.93 1ieu n ARG 47 N -0.01 -1.64 -3.32 3.23 3.00 -1.26 -1.54 116.66 115.12 1ieu n ARG 47 Ca 0.35 1.06 -0.24 0.00 -0.00 0.00 0.00 57.85 59.03 1ieu n ARG 47 Cb 0.74 -5.67 0.05 0.00 0.00 0.00 0.00 32.46 27.58 1ieu n ARG 47 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1ieu n GLU 48 N -2.88 -6.23 -2.88 -0.14 0.00 -1.26 -3.69 120.64 103.56 1ieu n GLU 48 Ca -0.24 0.85 -0.08 0.00 0.00 0.00 0.00 57.16 57.70 1ieu n GLU 48 Cb 0.69 -5.80 0.01 0.00 0.00 0.00 0.00 31.44 26.34 1ieu n GLU 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1ieu n GLN 49 N -4.48 -2.62 -0.62 5.31 1.13 -0.59 -5.04 117.38 110.48 1ieu n GLN 49 Ca -0.05 2.23 0.00 0.00 -1.94 0.00 0.00 57.00 57.24 1ieu n GLN 49 Cb 0.59 -5.12 0.00 0.00 0.11 0.00 0.00 30.24 25.82 1ieu n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ieu n ALA 50 N 0.09 0.00 -1.49 -1.58 0.00 -1.24 -5.07 120.51 111.21 1ieu n ALA 50 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1ieu n ALA 50 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1ieu n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ieu n GLY 51 N 5.00 0.85 3.86 0.00 0.00 -1.26 -4.98 105.19 108.66 1ieu n GLY 51 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1ieu n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ieu s GLY 52 N 0.00 2.36 -0.30 -0.02 0.00 -1.26 -5.06 107.32 103.04 1ieu s GLY 52 Ca 0.00 -0.32 -0.17 0.00 0.00 0.00 0.00 44.72 44.23 1ieu s GLY 52 CO 0.00 -0.10 1.18 0.51 0.00 0.00 0.00 173.10 174.69 1ieu s ASP 53 N -1.83 -0.20 0.00 1.64 -4.77 -1.26 -5.10 116.67 105.16 1ieu s ASP 53 Ca 0.36 0.15 0.00 0.00 -3.30 0.00 0.00 52.55 49.76 1ieu s ASP 53 Cb -0.14 1.18 0.00 0.00 -1.09 0.00 0.00 42.92 42.87 1ieu s ASP 53 CO 0.19 -0.04 0.33 0.00 0.70 0.00 0.00 175.17 176.35 1ieu n ALA 54 N 5.33 -0.12 0.00 2.11 0.00 -1.26 -4.97 120.51 121.60 1ieu n ALA 54 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1ieu n ALA 54 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1ieu n ALA 54 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ieu n THR 55 N -1.32 0.00 -2.14 0.00 -2.24 -1.26 -4.83 114.28 102.48 1ieu n THR 55 Ca 0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 1ieu n THR 55 Cb 0.00 -0.09 -0.05 0.00 -2.10 0.00 0.00 70.33 68.09 1ieu n THR 55 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1ieu s GLU 56 N -1.56 2.73 0.00 -0.78 2.12 -1.26 -3.50 118.70 116.46 1ieu s GLU 56 Ca 0.00 -0.53 0.00 0.00 0.36 0.00 0.00 54.97 54.80 1ieu s GLU 56 Cb 0.00 -5.13 0.00 0.00 0.26 0.00 0.00 34.13 29.26 1ieu s GLU 56 CO 0.00 -3.23 0.00 -1.71 -0.54 0.00 0.00 175.26 169.78 1ieu n ASN 57 N 13.13 0.00 -1.62 -1.70 4.05 -1.26 -4.95 115.26 122.92 1ieu n ASN 57 Ca 0.40 0.00 -0.12 0.00 0.45 0.00 0.00 54.58 55.31 1ieu n ASN 57 Cb 0.47 0.00 0.20 0.00 1.23 0.00 0.00 39.78 41.68 1ieu n ASN 57 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 177.26 176.43 1ieu n PHE 58 N -0.61 1.93 -2.05 1.20 1.16 -1.23 -4.92 117.46 112.95 1ieu n PHE 58 Ca 0.00 -1.66 -0.41 0.00 -1.87 0.00 0.00 57.45 53.51 1ieu n PHE 58 Cb 0.00 -0.68 -0.02 0.00 -1.61 0.00 0.00 39.48 37.17 1ieu n PHE 58 CO 0.00 0.00 0.00 -2.00 -1.87 0.00 0.00 176.76 172.89 1ieu s GLU 59 N -3.24 4.29 0.50 3.97 2.56 -1.25 -3.66 118.70 121.87 1ieu s GLU 59 Ca 0.50 2.27 -0.08 0.00 0.00 0.00 0.00 54.97 57.65 1ieu s GLU 59 Cb 0.44 -3.11 0.13 0.00 2.00 0.00 0.00 34.13 33.59 1ieu s GLU 59 CO 0.05 -0.36 0.32 -0.40 -0.56 0.00 0.00 175.26 174.31 1ieu n ASP 60 N 2.03 -2.50 0.00 -1.70 5.68 -1.26 -4.01 116.55 114.78 1ieu n ASP 60 Ca 0.05 -0.39 0.00 0.00 -0.50 0.00 0.00 54.79 53.95 1ieu n ASP 60 Cb 0.41 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 1ieu n ASP 60 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1ieu n VAL 61 N -3.87 0.18 0.00 2.12 3.14 -1.26 -4.84 118.33 113.79 1ieu n VAL 61 Ca 0.05 -0.36 0.00 0.00 -2.96 0.00 0.00 64.34 61.07 1ieu n VAL 61 Cb 0.21 1.22 0.00 0.00 -1.06 0.00 0.00 33.84 34.21 1ieu n VAL 61 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ieu n GLY 62 N -0.09 0.58 0.46 7.55 0.00 -1.26 -5.10 105.19 107.34 1ieu n GLY 62 Ca 0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 46.02 45.32 1ieu n GLY 62 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ieu n HIS 63 N 0.00 0.00 -2.00 1.61 -0.00 -1.26 -4.96 115.22 108.60 1ieu n HIS 63 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.66 1ieu n HIS 63 Cb 0.00 -0.23 -0.05 0.00 -0.00 0.00 0.00 29.99 29.71 1ieu n HIS 63 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1ieu n SER 64 N -3.73 -0.92 -0.06 0.26 7.64 -1.26 -4.95 113.62 110.60 1ieu n SER 64 Ca -0.07 -1.80 -0.06 0.00 1.01 0.00 0.00 58.87 57.96 1ieu n SER 64 Cb 0.24 0.30 -0.09 0.00 -1.01 0.00 0.00 64.21 63.65 1ieu n SER 64 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1ieu n THR 65 N -0.12 0.79 0.00 0.44 -1.04 -1.26 -5.01 114.28 108.07 1ieu n THR 65 Ca -0.24 -0.47 0.00 0.00 -2.04 0.00 0.00 64.05 61.30 1ieu n THR 65 Cb 0.66 -0.72 0.00 0.00 -1.82 0.00 0.00 70.33 68.45 1ieu n THR 65 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1ieu n ASP 66 N -2.46 0.00 -4.78 8.00 9.92 -1.26 -4.67 116.55 121.29 1ieu n ASP 66 Ca -0.19 0.00 -0.38 0.00 -0.53 0.00 0.00 54.79 53.69 1ieu n ASP 66 Cb 0.87 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 41.28 1ieu n ASP 66 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ieu s ALA 67 N -1.00 3.29 0.19 2.24 0.00 -1.26 -4.87 121.76 120.35 1ieu s ALA 67 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.43 1ieu s ALA 67 Cb 0.00 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 20.01 1ieu s ALA 67 CO 0.00 0.22 0.00 0.54 0.00 0.00 0.00 175.76 176.52 1ieu n ARG 68 N 0.87 -1.67 -3.80 0.00 1.74 -1.26 -4.92 116.66 107.62 1ieu n ARG 68 Ca -0.00 1.10 -0.25 0.00 -0.77 0.00 0.00 57.85 57.92 1ieu n ARG 68 Cb 0.49 -2.04 -0.00 0.00 -1.02 0.00 0.00 32.46 29.89 1ieu n ARG 68 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1ieu n GLU 69 N -3.29 0.73 0.31 5.56 -0.58 -1.26 -4.89 120.64 117.21 1ieu n GLU 69 Ca 0.01 -3.30 0.19 0.00 -0.42 0.00 0.00 57.16 53.63 1ieu n GLU 69 Cb 0.38 0.40 1.05 0.00 -0.57 0.00 0.00 31.44 32.70 1ieu n GLU 69 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1ieu h LEU 70 N 0.00 0.00 -8.23 -4.62 6.46 -1.94 -3.41 115.31 103.57 1ieu h LEU 70 Ca -0.34 0.00 -0.25 0.00 -0.12 0.00 0.00 57.88 57.17 1ieu h LEU 70 Cb 1.21 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 41.10 1ieu h LEU 70 CO 0.53 0.01 1.13 -1.54 -0.62 0.00 0.00 178.44 177.96 1ieu n SER 71 N -3.43 0.68 0.00 1.25 3.41 -1.26 -3.19 113.62 111.08 1ieu n SER 71 Ca -0.03 -0.82 0.00 0.00 -0.26 0.00 0.00 58.87 57.76 1ieu n SER 71 Cb 0.10 -1.20 0.00 0.00 -0.26 0.00 0.00 64.21 62.84 1ieu n SER 71 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1ieu n LYS 72 N 7.78 0.00 -0.85 4.33 3.00 -1.26 -4.95 118.16 126.21 1ieu n LYS 72 Ca 0.54 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.81 1ieu n LYS 72 Cb 0.31 0.00 0.26 0.00 0.00 0.00 0.00 35.03 35.60 1ieu n LYS 72 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1ieu n THR 73 N -0.71 2.50 -2.10 3.15 -2.24 -1.19 -4.07 114.28 109.62 1ieu n THR 73 Ca 0.00 -1.32 0.01 0.00 -2.27 0.00 0.00 64.05 60.46 1ieu n THR 73 Cb 0.00 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.82 1ieu n THR 73 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1ieu n TYR 74 N -0.02 0.00 -3.81 4.78 4.01 -1.26 -5.08 117.16 115.78 1ieu n TYR 74 Ca 0.33 -0.12 -0.30 0.00 -0.16 0.00 0.00 57.90 57.66 1ieu n TYR 74 Cb 1.21 -0.03 -0.04 0.00 -0.31 0.00 0.00 39.34 40.17 1ieu n TYR 74 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1ieu s ILE 75 N 0.00 5.28 -0.08 -0.72 1.01 -1.26 -1.34 121.20 124.10 1ieu s ILE 75 Ca 0.07 -0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.46 1ieu s ILE 75 Cb 0.08 -3.65 -0.06 0.00 0.01 0.00 0.00 42.46 38.84 1ieu s ILE 75 CO -0.04 0.04 -0.06 2.30 0.00 0.00 0.00 174.94 177.18 1ieu n ILE 76 N 0.01 0.47 0.00 2.92 -5.35 -1.06 -4.74 119.36 111.61 1ieu n ILE 76 Ca -0.04 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 1ieu n ILE 76 Cb 0.52 -0.80 0.00 0.00 -1.74 0.00 0.00 39.64 37.62 1ieu n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ieu n GLY 77 N 3.05 2.71 1.84 3.28 0.00 -1.26 -4.37 105.19 110.44 1ieu n GLY 77 Ca -0.14 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 1ieu n GLY 77 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ieu n GLU 78 N 0.00 0.64 -3.61 1.61 1.02 -0.84 -2.92 120.64 116.55 1ieu n GLU 78 Ca 0.00 -1.90 -0.34 0.00 -0.02 0.00 0.00 57.16 54.90 1ieu n GLU 78 Cb 0.00 1.13 -0.05 0.00 -0.02 0.00 0.00 31.44 32.50 1ieu n GLU 78 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1ieu s LEU 79 N 0.00 4.34 0.33 -4.62 0.20 -1.26 -2.91 118.68 114.75 1ieu s LEU 79 Ca 0.13 0.74 -0.27 0.00 0.69 0.00 0.00 54.13 55.42 1ieu s LEU 79 Cb 0.01 -2.99 -0.09 0.00 -0.43 0.00 0.00 46.19 42.68 1ieu s LEU 79 CO 0.10 0.16 1.11 -2.28 -0.29 0.00 0.00 176.35 175.15 1ieu s HIS 80 N -1.42 3.40 -1.56 5.38 5.65 -1.26 -4.86 115.29 120.62 1ieu s HIS 80 Ca 0.33 1.65 0.29 0.00 0.25 0.00 0.00 55.06 57.59 1ieu s HIS 80 Cb -0.14 -3.28 1.26 0.00 -1.18 0.00 0.00 32.58 29.24 1ieu s HIS 80 CO 0.19 -0.74 1.88 -0.35 -0.65 0.00 0.00 174.74 175.07 1ieu n PRO 81 N 0.69 0.59 0.13 2.88 -0.04 -1.26 -3.88 135.00 134.12 1ieu n PRO 81 Ca 0.01 -0.17 0.19 0.00 -0.04 0.00 0.00 63.50 63.49 1ieu n PRO 81 Cb 0.46 -1.50 0.71 0.00 -0.04 0.00 0.00 33.50 33.14 1ieu n PRO 81 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1ieu h ASP 82 N 0.42 0.00 0.00 3.54 2.03 -1.91 -3.26 116.42 117.24 1ieu h ASP 82 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1ieu h ASP 82 Cb 0.35 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.85 1ieu h ASP 82 CO 0.00 0.00 -0.46 0.47 -1.03 0.00 0.00 179.24 178.22 1ieu n ASP 83 N -3.44 1.89 0.00 4.15 9.92 -1.26 -5.00 116.55 122.81 1ieu n ASP 83 Ca 0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.32 1ieu n ASP 83 Cb 0.65 0.02 0.00 0.00 -0.64 0.00 0.00 41.12 41.15 1ieu n ASP 83 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1ieu n ARG 84 N -1.89 0.00 -0.46 -1.24 3.00 -1.23 -4.97 116.66 109.87 1ieu n ARG 84 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1ieu n ARG 84 Cb 0.23 -0.12 0.00 0.00 0.00 0.00 0.00 32.46 32.58 1ieu n ARG 84 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1ieu n SER 85 N 0.00 0.00 -2.83 6.15 3.41 -1.26 -4.69 113.62 114.40 1ieu n SER 85 Ca 0.00 -0.84 -0.13 0.00 -0.26 0.00 0.00 58.87 57.63 1ieu n SER 85 Cb 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.02 1ieu n SER 85 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1ieu n LYS 86 N -0.84 -5.08 0.12 4.33 3.00 -1.26 -4.43 118.16 113.99 1ieu n LYS 86 Ca 0.00 0.64 0.00 0.00 -0.00 0.00 0.00 58.31 58.95 1ieu n LYS 86 Cb 0.00 -5.04 0.00 0.00 0.00 0.00 0.00 35.03 29.99 1ieu n LYS 86 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1ieu n ILE 87 N -3.44 0.00 -0.09 3.15 5.41 -1.26 -4.87 119.36 118.25 1ieu n ILE 87 Ca -0.20 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.56 1ieu n ILE 87 Cb 0.62 -0.39 0.21 0.00 -0.71 0.00 0.00 39.64 39.37 1ieu n ILE 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ieu n ALA 88 N -3.17 3.44 -2.81 -1.39 0.00 -1.26 -4.94 120.51 110.37 1ieu n ALA 88 Ca 0.00 -1.16 -0.05 0.00 0.00 0.00 0.00 53.44 52.22 1ieu n ALA 88 Cb 0.00 -1.10 0.01 0.00 0.00 0.00 0.00 19.45 18.36 1ieu n ALA 88 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ieu n LYS 89 N 0.23 -2.77 -0.12 0.00 4.01 -1.26 -5.04 118.16 113.21 1ieu n LYS 89 Ca 0.18 2.36 0.00 0.00 -0.51 0.00 0.00 58.31 60.34 1ieu n LYS 89 Cb 0.84 -5.56 0.00 0.00 -0.51 0.00 0.00 35.03 29.81 1ieu n LYS 89 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1ieu n PRO 90 N 0.05 0.73 -1.48 1.97 -0.04 -1.26 -4.98 135.00 129.99 1ieu n PRO 90 Ca 0.08 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.72 1ieu n PRO 90 Cb 0.30 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.68 1ieu n PRO 90 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ieu n SER 91 N -1.70 -8.48 -0.03 3.54 7.64 -1.26 -4.72 113.62 108.61 1ieu n SER 91 Ca 0.00 1.25 -0.04 0.00 1.01 0.00 0.00 58.87 61.09 1ieu n SER 91 Cb 0.00 -4.91 -0.04 0.00 -1.01 0.00 0.00 64.21 58.25 1ieu n SER 91 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1ieu n GLU 92 N -4.37 1.52 -1.21 1.43 4.71 -1.26 -4.61 120.64 116.84 1ieu n GLU 92 Ca -0.07 0.02 -0.28 0.00 -0.01 0.00 0.00 57.16 56.83 1ieu n GLU 92 Cb 0.70 -1.15 0.11 0.00 -1.01 0.00 0.00 31.44 30.09 1ieu n GLU 92 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 1ieu n THR 93 N -2.49 3.32 1.03 2.62 -1.04 -1.26 -5.30 114.28 111.16 1ieu n THR 93 Ca -0.12 -2.34 0.12 0.00 -2.04 0.00 0.00 64.05 59.68 1ieu n THR 93 Cb 0.67 -0.90 0.12 0.00 -1.82 0.00 0.00 70.33 68.40 1ieu n THR 93 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32