#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 1.42 -2.27 -1.24 0.00 -1.26 -4.94 118.16 109.87 1ieu n LYS 2 Ca 0.00 -0.05 -0.42 0.00 -0.00 0.00 0.00 58.31 57.84 1ieu n LYS 2 Cb 0.00 -1.33 -0.03 0.00 -0.00 0.00 0.00 35.03 33.67 1ieu n LYS 2 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1ieu s ASP 3 N -4.27 6.89 -1.16 -5.58 -1.08 -1.26 -4.93 116.67 105.28 1ieu s ASP 3 Ca -0.06 2.03 -0.19 0.00 -0.52 0.00 0.00 52.55 53.81 1ieu s ASP 3 Cb 0.05 -2.56 0.09 0.00 -1.46 0.00 0.00 42.92 39.05 1ieu s ASP 3 CO 0.54 -0.71 1.54 -0.69 0.52 0.00 0.00 175.17 176.37 1ieu s VAL 4 N 2.55 4.28 -0.26 1.11 1.01 -1.26 -4.90 120.40 122.94 1ieu s VAL 4 Ca 0.62 -1.67 -0.28 0.00 0.00 0.00 0.00 61.98 60.65 1ieu s VAL 4 Cb -0.29 -5.06 0.01 0.00 0.00 0.00 0.00 36.38 31.03 1ieu s VAL 4 CO 0.25 -1.88 1.01 -1.59 0.00 0.00 0.00 175.10 172.89 1ieu s LYS 5 N 3.83 4.18 0.35 2.72 -2.85 -1.26 -4.64 119.74 122.07 1ieu s LYS 5 Ca 0.47 1.20 -0.25 0.00 -1.00 0.00 0.00 55.97 56.39 1ieu s LYS 5 Cb 0.01 -3.67 -0.10 0.00 -2.06 0.00 0.00 37.83 32.01 1ieu s LYS 5 CO -0.00 -0.69 0.96 0.71 0.10 0.00 0.00 175.35 176.42 1ieu s TYR 6 N 3.27 3.58 -0.12 1.78 2.02 -1.26 -3.35 117.35 123.27 1ieu s TYR 6 Ca 0.43 1.74 -0.00 0.00 -0.37 0.00 0.00 57.07 58.86 1ieu s TYR 6 Cb -0.14 -2.95 -0.02 0.00 -0.40 0.00 0.00 41.96 38.45 1ieu s TYR 6 CO 0.09 0.04 -0.10 0.71 -1.57 0.00 0.00 175.55 174.71 1ieu s TYR 7 N -1.68 2.86 0.85 2.71 1.51 -1.05 -4.74 117.35 117.80 1ieu s TYR 7 Ca 0.53 -0.45 -0.13 0.00 -1.01 0.00 0.00 57.07 56.02 1ieu s TYR 7 Cb -0.18 -1.83 0.09 0.00 -0.11 0.00 0.00 41.96 39.92 1ieu s TYR 7 CO 0.23 -0.07 1.07 0.25 -1.11 0.00 0.00 175.55 175.92 1ieu n THR 8 N 3.26 1.29 0.05 -0.71 -2.24 -1.26 -3.30 114.28 111.38 1ieu n THR 8 Ca -0.18 -0.16 -0.11 0.00 -2.27 0.00 0.00 64.05 61.33 1ieu n THR 8 Cb 0.53 -1.06 -0.06 0.00 -2.10 0.00 0.00 70.33 67.64 1ieu n THR 8 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1ieu h LEU 9 N -1.20 -0.23 -2.46 3.22 -0.00 -1.99 -1.40 115.31 111.24 1ieu h LEU 9 Ca -0.45 0.03 -0.00 0.00 -0.00 0.00 0.00 57.88 57.46 1ieu h LEU 9 Cb 1.29 0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 42.05 1ieu h LEU 9 CO 0.43 -0.12 -0.01 -0.33 -0.00 0.00 0.00 178.44 178.41 1ieu h GLU 10 N -0.15 0.00 -0.19 1.13 5.08 -1.98 -1.37 114.58 117.10 1ieu h GLU 10 Ca 0.03 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 1ieu h GLU 10 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1ieu h GLU 10 CO -0.08 0.01 -0.39 1.49 -1.00 0.00 0.00 179.01 179.04 1ieu h GLU 11 N 0.00 0.44 0.00 2.33 4.81 -1.59 -0.51 114.58 120.05 1ieu h GLU 11 Ca -0.00 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 1ieu h GLU 11 Cb 0.02 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 1ieu h GLU 11 CO 0.00 0.76 -0.05 0.82 -0.73 0.00 0.00 179.01 179.81 1ieu h ILE 12 N 0.36 0.71 0.00 2.32 2.04 -1.07 -3.31 117.51 118.56 1ieu h ILE 12 Ca 0.03 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.35 1ieu h ILE 12 Cb 0.85 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 1ieu h ILE 12 CO 0.07 0.24 0.00 1.56 0.00 0.00 0.00 178.15 180.02 1ieu h GLN 13 N -1.00 0.00 -0.09 2.37 7.50 -1.52 -2.48 115.11 119.89 1ieu h GLN 13 Ca -0.01 0.00 0.03 0.00 0.50 0.00 0.00 58.65 59.17 1ieu h GLN 13 Cb 0.43 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.96 1ieu h GLN 13 CO -0.01 0.00 0.08 0.87 -1.50 0.00 0.00 178.83 178.28 1ieu h LYS 14 N 0.00 0.00 0.00 1.46 1.79 -1.17 -3.32 116.57 115.33 1ieu h LYS 14 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1ieu h LYS 14 Cb 0.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 1ieu h LYS 14 CO 0.00 0.00 0.00 0.72 -1.08 0.00 0.00 179.45 179.09 1ieu n HIS 15 N -4.09 0.00 -1.99 -1.35 8.25 -0.93 -4.85 115.22 110.25 1ieu n HIS 15 Ca -0.01 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.34 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 -0.18 -1.86 0.00 -0.41 4.76 -1.25 -4.88 118.16 114.34 1ieu n LYS 16 Ca 0.00 0.61 0.00 0.00 -2.87 0.00 0.00 58.31 56.05 1ieu n LYS 16 Cb 0.00 -5.04 0.00 0.00 -1.84 0.00 0.00 35.03 28.15 1ieu n LYS 16 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1ieu n ASP 17 N -1.18 0.00 0.00 4.39 -0.08 -1.26 -5.07 116.55 113.35 1ieu n ASP 17 Ca -0.13 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.15 1ieu n ASP 17 Cb 0.51 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.97 1ieu n ASP 17 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1ieu n SER 18 N 0.00 0.00 0.17 1.67 2.88 -1.26 -5.02 113.62 112.06 1ieu n SER 18 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 1ieu n SER 18 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1ieu n SER 18 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1ieu h LYS 19 N 0.00 -0.42 -4.74 -1.46 1.63 -1.97 -3.41 116.57 106.20 1ieu h LYS 19 Ca 0.00 0.03 -0.69 0.00 -0.85 0.00 0.00 60.65 59.14 1ieu h LYS 19 Cb 0.00 0.10 -0.31 0.00 -0.60 0.00 0.00 32.23 31.41 1ieu h LYS 19 CO 0.00 -0.28 -0.67 -1.12 -3.45 0.00 0.00 179.45 173.93 1ieu s SER 20 N -2.83 5.05 0.29 4.20 0.01 -1.26 -4.70 113.70 114.46 1ieu s SER 20 Ca -0.06 -1.22 -0.05 0.00 1.31 0.00 0.00 55.95 55.92 1ieu s SER 20 Cb 0.01 -1.77 -0.01 0.00 0.21 0.00 0.00 66.02 64.46 1ieu s SER 20 CO 0.19 -0.28 0.41 0.28 0.41 0.00 0.00 173.24 174.25 1ieu s THR 21 N 1.31 0.00 0.46 1.44 -1.32 -1.26 -4.72 115.64 111.55 1ieu s THR 21 Ca -0.04 -1.62 0.03 0.00 -1.21 0.00 0.00 61.69 58.86 1ieu s THR 21 Cb -0.20 -2.49 -0.04 0.00 -1.51 0.00 0.00 72.50 68.27 1ieu s THR 21 CO 0.00 0.00 0.01 0.26 -2.21 0.00 0.00 174.62 172.69 1ieu s TRP 22 N -3.53 2.11 -0.13 9.09 0.51 -1.26 -2.96 118.94 122.77 1ieu s TRP 22 Ca 0.30 -0.87 -0.09 0.00 -2.12 0.00 0.00 56.10 53.32 1ieu s TRP 22 Cb 0.01 -1.64 0.04 0.00 -0.81 0.00 0.00 33.47 31.07 1ieu s TRP 22 CO 0.16 0.28 0.32 0.08 -0.51 0.00 0.00 176.95 177.28 1ieu s VAL 23 N -2.85 -0.02 0.08 4.03 1.01 -0.65 -4.90 120.40 117.11 1ieu s VAL 23 Ca 0.18 0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.92 1ieu s VAL 23 Cb 0.05 -0.46 -0.05 0.00 0.00 0.00 0.00 36.38 35.92 1ieu s VAL 23 CO 0.09 0.02 0.99 -0.63 0.00 0.00 0.00 175.10 175.58 1ieu s ILE 24 N 0.69 4.54 -0.18 2.22 1.09 -1.26 -1.27 121.20 127.04 1ieu s ILE 24 Ca -0.04 2.00 -0.05 0.00 -1.10 0.00 0.00 60.65 61.46 1ieu s ILE 24 Cb -0.05 -4.28 0.09 0.00 -1.06 0.00 0.00 42.46 37.15 1ieu s ILE 24 CO -0.04 0.25 0.31 -0.22 -0.10 0.00 0.00 174.94 175.14 1ieu s LEU 25 N 0.34 -0.41 -1.32 2.97 2.96 -1.14 -4.90 118.68 117.18 1ieu s LEU 25 Ca 0.49 0.51 -0.06 0.00 -0.22 0.00 0.00 54.13 54.85 1ieu s LEU 25 Cb -0.23 0.88 0.01 0.00 0.50 0.00 0.00 46.19 47.35 1ieu s LEU 25 CO 0.30 -0.26 1.09 1.41 -1.32 0.00 0.00 176.35 177.56 1ieu n HIS 26 N 5.36 -2.56 -3.23 5.38 8.25 -1.26 -3.06 115.22 124.10 1ieu n HIS 26 Ca -0.06 0.98 -0.13 0.00 -0.26 0.00 0.00 57.72 58.24 1ieu n HIS 26 Cb 0.50 -4.95 0.06 0.00 1.12 0.00 0.00 29.99 26.71 1ieu n HIS 26 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1ieu n HIS 27 N -4.65 -2.52 -3.83 4.41 -0.00 -1.26 -5.02 115.22 102.34 1ieu n HIS 27 Ca -0.11 0.89 -0.08 0.00 0.46 0.00 0.00 57.72 58.89 1ieu n HIS 27 Cb 0.60 -4.12 0.00 0.00 -0.12 0.00 0.00 29.99 26.35 1ieu n HIS 27 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 1ieu s LYS 28 N -4.25 1.96 -0.14 1.57 1.02 -1.17 -4.62 119.74 114.11 1ieu s LYS 28 Ca 0.41 -1.18 0.00 0.00 0.02 0.00 0.00 55.97 55.22 1ieu s LYS 28 Cb -0.05 0.60 -0.01 0.00 -0.52 0.00 0.00 37.83 37.85 1ieu s LYS 28 CO 0.74 -0.91 -0.14 0.08 -0.92 0.00 0.00 175.35 174.20 1ieu s VAL 29 N -3.10 2.89 -0.52 3.17 1.01 -0.88 -2.91 120.40 120.07 1ieu s VAL 29 Ca 0.13 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 1ieu s VAL 29 Cb -0.05 -2.22 0.14 0.00 0.00 0.00 0.00 36.38 34.25 1ieu s VAL 29 CO 0.09 0.52 0.30 -0.31 0.00 0.00 0.00 175.10 175.70 1ieu s TYR 30 N 0.52 3.45 -0.82 5.22 1.51 -0.39 -2.27 117.35 124.56 1ieu s TYR 30 Ca -0.09 -2.77 -0.26 0.00 -1.01 0.00 0.00 57.07 52.93 1ieu s TYR 30 Cb -0.16 -3.10 0.04 0.00 -0.11 0.00 0.00 41.96 38.63 1ieu s TYR 30 CO 0.04 -0.86 1.33 0.34 -1.11 0.00 0.00 175.55 175.28 1ieu s ASP 31 N 0.78 6.26 -0.49 2.29 -1.08 -0.77 -1.64 116.67 122.02 1ieu s ASP 31 Ca 0.14 -0.73 0.04 0.00 -0.52 0.00 0.00 52.55 51.48 1ieu s ASP 31 Cb -0.22 -2.56 0.41 0.00 -1.46 0.00 0.00 42.92 39.09 1ieu s ASP 31 CO -0.03 -1.75 1.24 0.18 0.52 0.00 0.00 175.17 175.33 1ieu n LEU 32 N 9.24 5.11 0.24 -1.34 4.32 -1.16 -4.58 117.00 128.84 1ieu n LEU 32 Ca 0.11 -5.15 0.08 0.00 -0.02 0.00 0.00 56.01 51.04 1ieu n LEU 32 Cb 0.50 -0.54 0.60 0.00 -1.62 0.00 0.00 43.42 42.36 1ieu n LEU 32 CO 0.70 2.17 0.95 0.00 -1.22 0.00 0.00 177.39 179.98 1ieu h THR 33 N 2.48 0.93 0.12 -5.08 1.03 -1.84 -1.39 112.91 109.17 1ieu h THR 33 Ca 0.34 -0.50 -0.27 0.00 -0.01 0.00 0.00 66.41 65.96 1ieu h THR 33 Cb 0.82 1.28 0.00 0.00 -1.07 0.00 0.00 68.15 69.19 1ieu h THR 33 CO 0.93 0.14 -1.26 0.50 -0.01 0.00 0.00 175.52 175.82 1ieu h LYS 34 N 0.00 0.26 0.00 0.00 3.11 -1.89 -3.15 116.57 114.91 1ieu h LYS 34 Ca -0.00 -0.45 -0.02 0.00 -2.81 0.00 0.00 60.65 57.37 1ieu h LYS 34 Cb 0.27 0.17 -0.00 0.00 -1.00 0.00 0.00 32.23 31.67 1ieu h LYS 34 CO 0.02 1.21 -0.11 0.35 -2.81 0.00 0.00 179.45 178.11 1ieu h PHE 35 N 0.07 0.00 -0.55 1.91 3.04 -1.65 -0.01 116.94 119.75 1ieu h PHE 35 Ca -0.14 0.00 0.16 0.00 3.98 0.00 0.00 57.97 61.97 1ieu h PHE 35 Cb 1.97 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 40.46 1ieu h PHE 35 CO 0.06 0.11 0.39 -0.07 -2.02 0.00 0.00 178.31 176.78 1ieu h LEU 36 N 0.00 0.00 -2.23 0.59 -0.00 -1.26 -2.40 115.31 110.02 1ieu h LEU 36 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1ieu h LEU 36 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.03 1ieu h LEU 36 CO 0.01 0.00 -0.18 -1.84 -0.00 0.00 0.00 178.44 176.43 1ieu n GLU 37 N -4.37 0.82 0.13 1.13 0.28 -0.88 -4.76 120.64 112.99 1ieu n GLU 37 Ca 0.10 -1.41 0.01 0.00 -0.16 0.00 0.00 57.16 55.70 1ieu n GLU 37 Cb 0.62 -0.85 0.02 0.00 1.43 0.00 0.00 31.44 32.66 1ieu n GLU 37 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1ieu h GLU 38 N 0.00 0.00 -2.81 3.44 4.57 -0.47 -3.40 114.58 115.92 1ieu h GLU 38 Ca 0.00 0.00 -0.60 0.00 -1.18 0.00 0.00 59.36 57.58 1ieu h GLU 38 Cb 1.07 0.00 -0.40 0.00 -0.16 0.00 0.00 28.75 29.26 1ieu h GLU 38 CO 0.00 0.57 -0.79 -1.01 -1.18 0.00 0.00 179.01 176.60 1ieu s HIS 39 N -2.95 1.57 -1.00 0.92 3.76 -1.25 -5.05 115.29 111.28 1ieu s HIS 39 Ca 0.03 -2.20 -0.22 0.00 -0.15 0.00 0.00 55.06 52.53 1ieu s HIS 39 Cb 0.08 -1.53 0.08 0.00 1.11 0.00 0.00 32.58 32.32 1ieu s HIS 39 CO 0.75 -0.79 1.35 -1.25 -0.85 0.00 0.00 174.74 173.95 1ieu s PRO 40 N 0.48 3.60 0.00 8.40 0.04 -1.26 -4.53 135.00 141.73 1ieu s PRO 40 Ca 0.19 -1.35 0.00 0.00 0.04 0.00 0.00 61.00 59.89 1ieu s PRO 40 Cb -0.21 -5.22 0.00 0.00 0.04 0.00 0.00 34.50 29.11 1ieu s PRO 40 CO -0.02 -2.07 0.00 0.41 0.04 0.00 0.00 177.00 175.36 1ieu n GLY 41 N 6.41 0.00 0.00 0.56 0.00 -1.26 -5.09 105.19 105.80 1ieu n GLY 41 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 1.66 0.53 0.00 -0.02 0.00 -1.26 -5.16 105.19 100.94 1ieu n GLY 42 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1ieu n GLY 42 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ieu n GLU 43 N 0.00 3.76 -2.35 1.61 0.00 -1.26 -5.03 120.64 117.38 1ieu n GLU 43 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.75 1ieu n GLU 43 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 31.44 31.47 1ieu n GLU 43 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1ieu n GLU 44 N -0.00 4.35 -0.45 3.44 -0.00 -1.26 -4.94 120.64 121.78 1ieu n GLU 44 Ca 0.00 -4.20 0.00 0.00 -0.00 0.00 0.00 57.16 52.96 1ieu n GLU 44 Cb 0.00 -2.39 0.00 0.00 -0.00 0.00 0.00 31.44 29.05 1ieu n GLU 44 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 1ieu n VAL 45 N -0.26 0.00 -0.80 3.84 0.24 -1.26 -4.57 118.33 115.52 1ieu n VAL 45 Ca 0.50 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 62.47 1ieu n VAL 45 Cb 0.25 -1.09 0.12 0.00 -1.47 0.00 0.00 33.84 31.65 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 -1.20 -0.49 1.34 4.32 -1.26 -2.21 117.00 117.50 1ieu n LEU 46 Ca 0.00 0.23 -0.06 0.00 -0.02 0.00 0.00 56.01 56.16 1ieu n LEU 46 Cb 0.00 -1.11 -0.03 0.00 -1.62 0.00 0.00 43.42 40.66 1ieu n LEU 46 CO 0.00 -3.77 -0.06 -1.14 -1.22 0.00 0.00 177.39 171.20 1ieu n ARG 47 N -1.27 -1.34 -0.73 3.23 0.63 -1.26 -4.83 116.66 111.09 1ieu n ARG 47 Ca 0.05 0.65 -0.01 0.00 -0.92 0.00 0.00 57.85 57.61 1ieu n ARG 47 Cb 0.56 -4.79 0.20 0.00 0.45 0.00 0.00 32.46 28.88 1ieu n ARG 47 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1ieu n GLU 48 N -1.03 1.82 -0.93 -0.14 0.00 -0.94 -5.01 120.64 114.42 1ieu n GLU 48 Ca -0.06 -3.18 0.00 0.00 0.00 0.00 0.00 57.16 53.91 1ieu n GLU 48 Cb 0.43 -1.77 0.00 0.00 0.00 0.00 0.00 31.44 30.10 1ieu n GLU 48 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 1ieu n GLN 49 N -1.10 2.18 0.00 5.31 -0.06 -1.26 -4.95 117.38 117.50 1ieu n GLN 49 Ca 0.29 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.29 1ieu n GLN 49 Cb 0.95 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 27.13 1ieu n GLN 49 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1ieu n ALA 50 N -3.00 0.14 0.00 1.69 0.00 -1.26 -5.14 120.51 112.94 1ieu n ALA 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ieu n ALA 50 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.33 3.57 0.24 0.00 0.00 -1.26 -5.00 105.19 101.41 1ieu n GLY 51 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1ieu n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ieu n GLY 52 N 0.00 2.98 0.23 -0.02 0.00 -1.26 -4.85 105.19 102.27 1ieu n GLY 52 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 1ieu n GLY 52 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ieu h ASP 53 N 0.00 0.00 0.00 1.61 3.32 -1.94 -3.46 116.42 115.95 1ieu h ASP 53 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ieu h ASP 53 Cb 0.00 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ieu h ASP 53 CO 0.00 0.14 0.00 0.00 -1.72 0.00 0.00 179.24 177.66 1ieu n ALA 54 N -2.51 0.00 -2.16 3.45 0.00 -1.26 -2.21 120.51 115.81 1ieu n ALA 54 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.38 1ieu n ALA 54 Cb 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.62 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 0.00 0.00 -3.69 0.00 -2.24 -1.26 -5.02 114.28 102.07 1ieu n THR 55 Ca 0.00 -0.33 -0.21 0.00 -2.27 0.00 0.00 64.05 61.24 1ieu n THR 55 Cb 0.00 0.65 -0.03 0.00 -2.10 0.00 0.00 70.33 68.85 1ieu n THR 55 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1ieu s GLU 56 N 0.00 2.66 -1.79 -0.78 -1.05 -0.94 -4.51 118.70 112.29 1ieu s GLU 56 Ca 0.11 -1.38 0.00 0.00 -0.15 0.00 0.00 54.97 53.55 1ieu s GLU 56 Cb 0.13 -2.45 0.00 0.00 -0.44 0.00 0.00 34.13 31.37 1ieu s GLU 56 CO -0.06 -0.02 0.00 -1.71 0.95 0.00 0.00 175.26 174.42 1ieu n ASN 57 N -1.45 -5.94 -2.20 0.83 2.85 -1.26 -4.86 115.26 103.23 1ieu n ASN 57 Ca 0.00 -0.02 -0.29 0.00 -0.11 0.00 0.00 54.58 54.17 1ieu n ASN 57 Cb 0.60 -4.94 0.09 0.00 1.24 0.00 0.00 39.78 36.77 1ieu n ASN 57 CO 0.00 0.00 0.00 0.33 -2.11 0.00 0.00 177.26 175.48 1ieu n PHE 58 N -4.02 2.83 -2.70 1.20 7.35 -1.26 -4.63 117.46 116.23 1ieu n PHE 58 Ca -0.25 -2.58 -0.01 0.00 -0.76 0.00 0.00 57.45 53.85 1ieu n PHE 58 Cb 0.69 -1.25 0.02 0.00 0.35 0.00 0.00 39.48 39.29 1ieu n PHE 58 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 1ieu s GLU 59 N -3.29 0.19 -0.04 -4.13 2.12 -1.26 -4.98 118.70 107.31 1ieu s GLU 59 Ca 0.56 -0.15 -0.04 0.00 0.36 0.00 0.00 54.97 55.71 1ieu s GLU 59 Cb 0.44 0.00 -0.01 0.00 0.26 0.00 0.00 34.13 34.82 1ieu s GLU 59 CO 0.01 -0.25 -0.07 -3.47 -0.54 0.00 0.00 175.26 170.94 1ieu n ASP 60 N 3.01 0.49 -0.04 -1.70 -0.08 -1.26 -4.84 116.55 112.13 1ieu n ASP 60 Ca 0.09 0.19 -0.03 0.00 -1.51 0.00 0.00 54.79 53.53 1ieu n ASP 60 Cb 0.64 -0.58 -0.08 0.00 2.34 0.00 0.00 41.12 43.45 1ieu n ASP 60 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1ieu n VAL 61 N -2.95 0.53 -1.34 5.18 3.14 -1.26 -5.12 118.33 116.51 1ieu n VAL 61 Ca -0.03 -0.37 0.14 0.00 -2.96 0.00 0.00 64.34 61.12 1ieu n VAL 61 Cb 0.11 -0.55 -0.08 0.00 -1.06 0.00 0.00 33.84 32.26 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 2.32 -3.43 1.39 7.55 0.00 -1.26 -4.93 105.19 106.82 1ieu n GLY 62 Ca -0.13 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.74 1ieu n GLY 62 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1ieu n HIS 63 N -3.93 -3.94 0.00 1.61 1.44 -1.26 -5.08 115.22 104.05 1ieu n HIS 63 Ca -0.08 -0.44 0.00 0.00 -2.01 0.00 0.00 57.72 55.20 1ieu n HIS 63 Cb 0.61 -0.36 0.00 0.00 0.12 0.00 0.00 29.99 30.36 1ieu n HIS 63 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1ieu n SER 64 N -3.28 0.00 0.00 4.39 7.64 -1.26 -4.92 113.62 116.19 1ieu n SER 64 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1ieu n SER 64 Cb 0.21 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 1ieu n SER 64 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ieu n THR 65 N -1.66 0.00 0.08 0.44 -2.24 -1.26 -3.78 114.28 105.87 1ieu n THR 65 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ieu n THR 65 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1ieu n THR 65 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ieu n ASP 66 N 2.17 -0.86 -3.28 3.42 2.03 -1.26 -5.13 116.55 113.63 1ieu n ASP 66 Ca 0.00 0.30 -0.13 0.00 0.52 0.00 0.00 54.79 55.48 1ieu n ASP 66 Cb 0.00 0.98 0.07 0.00 -0.72 0.00 0.00 41.12 41.45 1ieu n ASP 66 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ieu n ALA 67 N -2.93 -0.07 -0.02 -1.67 0.00 -1.25 -5.07 120.51 109.50 1ieu n ALA 67 Ca 0.00 -1.01 -0.02 0.00 0.00 0.00 0.00 53.44 52.41 1ieu n ALA 67 Cb 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 19.45 19.57 1ieu n ALA 67 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1ieu n ARG 68 N -2.07 0.14 -3.12 0.00 0.00 -1.26 -4.76 116.66 105.59 1ieu n ARG 68 Ca 0.09 0.18 -0.45 0.00 -0.00 0.00 0.00 57.85 57.67 1ieu n ARG 68 Cb 0.31 -0.88 -0.04 0.00 0.00 0.00 0.00 32.46 31.85 1ieu n ARG 68 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 1ieu s GLU 69 N -1.45 3.11 0.00 -0.14 2.12 -1.26 -4.64 118.70 116.44 1ieu s GLU 69 Ca -0.06 -1.42 0.15 0.00 0.36 0.00 0.00 54.97 53.99 1ieu s GLU 69 Cb 0.01 -4.32 0.65 0.00 0.26 0.00 0.00 34.13 30.73 1ieu s GLU 69 CO 0.09 -1.54 1.48 -0.11 -0.54 0.00 0.00 175.26 174.65 1ieu n LEU 70 N 6.19 0.00 0.19 2.70 7.94 -1.26 -2.81 117.00 129.94 1ieu n LEU 70 Ca -0.06 0.49 0.14 0.00 -1.11 0.00 0.00 56.01 55.47 1ieu n LEU 70 Cb 0.43 -0.49 0.68 0.00 0.53 0.00 0.00 43.42 44.56 1ieu n LEU 70 CO 0.56 -0.24 0.90 -1.28 -1.11 0.00 0.00 177.39 176.23 1ieu h SER 71 N 0.00 0.00 0.19 1.96 0.87 -1.97 -2.22 113.55 112.38 1ieu h SER 71 Ca 0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 1ieu h SER 71 Cb 0.26 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 1ieu h SER 71 CO 0.00 0.00 -0.25 0.11 -0.53 0.00 0.00 176.83 176.16 1ieu h LYS 72 N 0.00 0.11 -0.72 2.24 1.57 -1.96 -2.20 116.57 115.62 1ieu h LYS 72 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1ieu h LYS 72 Cb 0.11 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1ieu h LYS 72 CO 0.00 0.37 0.00 0.25 -0.57 0.00 0.00 179.45 179.50 1ieu n THR 73 N -4.20 1.73 -2.17 -0.16 -2.24 -0.84 -3.89 114.28 102.52 1ieu n THR 73 Ca -0.02 -0.88 0.04 0.00 -2.27 0.00 0.00 64.05 60.92 1ieu n THR 73 Cb 0.33 -0.33 0.06 0.00 -2.10 0.00 0.00 70.33 68.29 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 0.42 0.00 -3.34 4.78 4.02 -0.83 -5.08 117.16 117.13 1ieu n TYR 74 Ca 0.18 -0.62 -0.30 0.00 -0.01 0.00 0.00 57.90 57.14 1ieu n TYR 74 Cb 0.84 -0.15 -0.04 0.00 -0.02 0.00 0.00 39.34 39.97 1ieu n TYR 74 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1ieu s ILE 75 N -0.74 4.97 -0.11 -0.72 1.01 -1.23 -1.84 121.20 122.53 1ieu s ILE 75 Ca 0.29 0.27 0.01 0.00 0.00 0.00 0.00 60.65 61.21 1ieu s ILE 75 Cb 0.31 -3.68 -0.07 0.00 0.01 0.00 0.00 42.46 39.03 1ieu s ILE 75 CO -0.11 -0.22 -0.10 2.30 0.00 0.00 0.00 174.94 176.81 1ieu n ILE 76 N -0.61 0.62 -2.39 2.92 -5.35 -0.96 -4.75 119.36 108.85 1ieu n ILE 76 Ca -0.00 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 1ieu n ILE 76 Cb 0.53 -0.89 0.00 0.00 -1.74 0.00 0.00 39.64 37.54 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 2.97 1.41 1.62 3.28 0.00 -1.25 -4.72 105.19 108.50 1ieu n GLY 77 Ca -0.19 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 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 1.13 -4.35 1.61 1.02 -1.21 -2.08 120.64 116.75 1ieu n GLU 78 Ca 0.00 -1.45 -0.31 0.00 -0.02 0.00 0.00 57.16 55.38 1ieu n GLU 78 Cb 0.00 0.14 -0.10 0.00 -0.02 0.00 0.00 31.44 31.46 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 3.15 0.46 -4.62 0.20 -1.26 -2.54 118.68 114.07 1ieu s LEU 79 Ca 0.14 -0.23 -0.25 0.00 0.69 0.00 0.00 54.13 54.48 1ieu s LEU 79 Cb -0.01 -1.87 -0.08 0.00 -0.43 0.00 0.00 46.19 43.80 1ieu s LEU 79 CO 0.09 0.24 1.41 -2.28 -0.29 0.00 0.00 176.35 175.51 1ieu s HIS 80 N -1.10 2.48 -1.12 5.38 5.65 -1.21 -4.78 115.29 120.59 1ieu s HIS 80 Ca 0.19 1.29 0.28 0.00 0.25 0.00 0.00 55.06 57.07 1ieu s HIS 80 Cb -0.11 -3.88 1.01 0.00 -1.18 0.00 0.00 32.58 28.42 1ieu s HIS 80 CO 0.11 -2.84 1.76 -0.35 -0.65 0.00 0.00 174.74 172.76 1ieu n PRO 81 N -0.25 0.13 -0.28 2.88 -0.04 -1.26 -3.67 135.00 132.51 1ieu n PRO 81 Ca 0.06 -0.04 -0.01 0.00 -0.04 0.00 0.00 63.50 63.47 1ieu n PRO 81 Cb 0.42 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.50 1ieu n PRO 81 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1ieu h ASP 82 N 0.10 0.75 0.01 3.54 3.58 -2.00 -1.58 116.42 120.82 1ieu h ASP 82 Ca 0.00 0.02 -0.41 0.00 0.42 0.00 0.00 57.03 57.06 1ieu h ASP 82 Cb 0.47 -0.14 -0.06 0.00 1.72 0.00 0.00 39.33 41.32 1ieu h ASP 82 CO 0.00 0.49 -2.39 0.47 -2.88 0.00 0.00 179.24 174.93 1ieu n ASP 83 N -4.67 1.98 0.28 2.28 9.92 -1.26 -2.87 116.55 122.21 1ieu n ASP 83 Ca 0.11 0.12 0.18 0.00 -0.53 0.00 0.00 54.79 54.67 1ieu n ASP 83 Cb 0.16 -0.65 0.93 0.00 -0.64 0.00 0.00 41.12 40.92 1ieu n ASP 83 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 1ieu h ARG 84 N -0.47 0.00 0.00 -1.24 9.65 -1.63 -3.28 114.38 117.41 1ieu h ARG 84 Ca -0.60 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.28 1ieu h ARG 84 Cb 1.76 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.34 1ieu h ARG 84 CO -0.22 0.00 0.00 0.43 2.80 0.00 0.00 179.97 182.98 1ieu n SER 85 N -3.27 0.00 0.00 -3.80 7.64 -0.59 -5.01 113.62 108.59 1ieu n SER 85 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1ieu n SER 85 Cb 0.29 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 1ieu n SER 85 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1ieu n LYS 86 N -0.33 0.00 -0.01 1.43 2.85 -1.24 -5.06 118.16 115.80 1ieu n LYS 86 Ca 0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.25 1ieu n LYS 86 Cb 0.00 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1ieu n LYS 86 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1ieu n ILE 87 N 0.00 0.42 -0.82 0.58 5.41 -1.16 -5.04 119.36 118.74 1ieu n ILE 87 Ca 0.00 0.26 -0.30 0.00 1.00 0.00 0.00 62.75 63.71 1ieu n ILE 87 Cb 0.00 -1.48 0.26 0.00 -0.71 0.00 0.00 39.64 37.71 1ieu n ILE 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ieu s ALA 88 N -2.51 0.11 -0.14 -1.39 0.00 -1.14 -5.03 121.76 111.66 1ieu s ALA 88 Ca -0.05 -0.98 -0.34 0.00 0.00 0.00 0.00 51.96 50.60 1ieu s ALA 88 Cb 0.01 -2.87 0.13 0.00 0.00 0.00 0.00 23.12 20.38 1ieu s ALA 88 CO 0.07 -4.04 1.18 -1.59 0.00 0.00 0.00 175.76 171.39 1ieu s LYS 89 N -5.35 0.39 -0.91 0.00 -2.85 -1.26 -4.93 119.74 104.84 1ieu s LYS 89 Ca 0.71 -0.16 -0.22 0.00 -1.00 0.00 0.00 55.97 55.29 1ieu s LYS 89 Cb -0.10 0.17 0.07 0.00 -2.06 0.00 0.00 37.83 35.92 1ieu s LYS 89 CO 0.56 -0.17 1.27 -1.25 0.10 0.00 0.00 175.35 175.86 1ieu s PRO 90 N -2.51 3.47 -0.45 1.78 0.04 -1.26 -4.86 135.00 131.21 1ieu s PRO 90 Ca 0.10 -1.12 0.06 0.00 0.04 0.00 0.00 61.00 60.08 1ieu s PRO 90 Cb -0.00 -4.91 0.19 0.00 0.04 0.00 0.00 34.50 29.81 1ieu s PRO 90 CO -0.05 -2.03 0.70 -1.12 0.04 0.00 0.00 177.00 174.54 1ieu s SER 91 N 4.26 -1.41 -0.04 6.66 0.01 -1.26 -4.99 113.70 116.92 1ieu s SER 91 Ca 0.38 -1.13 0.04 0.00 1.31 0.00 0.00 55.95 56.55 1ieu s SER 91 Cb -0.05 1.83 0.09 0.00 0.21 0.00 0.00 66.02 68.11 1ieu s SER 91 CO -0.03 -0.11 1.07 -0.62 0.41 0.00 0.00 173.24 173.96 1ieu n GLU 92 N 3.73 0.16 -3.62 12.44 1.02 -1.26 -5.13 120.64 127.97 1ieu n GLU 92 Ca 0.14 -1.17 0.02 0.00 -0.02 0.00 0.00 57.16 56.13 1ieu n GLU 92 Cb 0.57 0.41 -0.00 0.00 -0.02 0.00 0.00 31.44 32.40 1ieu n GLU 92 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1ieu s THR 93 N -0.04 0.00 -2.67 2.62 -1.32 -1.26 -5.33 115.64 107.64 1ieu s THR 93 Ca 0.05 -0.17 0.27 0.00 -1.21 0.00 0.00 61.69 60.62 1ieu s THR 93 Cb 0.09 -2.04 0.43 0.00 -1.51 0.00 0.00 72.50 69.47 1ieu s THR 93 CO -0.03 0.00 1.58 0.18 -2.21 0.00 0.00 174.62 174.14