#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ieu h LYS 2 N 0.00 0.28 -3.57 -0.67 1.57 -2.06 -3.44 116.57 108.68 1ieu h LYS 2 Ca 0.00 -0.48 -0.57 0.00 -1.87 0.00 0.00 60.65 57.74 1ieu h LYS 2 Cb 0.00 0.18 -0.40 0.00 0.08 0.00 0.00 32.23 32.09 1ieu h LYS 2 CO 0.00 1.23 -0.76 0.16 -0.57 0.00 0.00 179.45 179.51 1ieu s ASP 3 N -7.08 3.73 -0.24 0.86 -4.77 -1.26 -5.11 116.67 102.80 1ieu s ASP 3 Ca -0.18 -1.39 -0.09 0.00 -3.30 0.00 0.00 52.55 47.59 1ieu s ASP 3 Cb 0.04 -0.80 -0.04 0.00 -1.09 0.00 0.00 42.92 41.04 1ieu s ASP 3 CO 0.79 -0.38 0.11 -0.69 0.70 0.00 0.00 175.17 175.70 1ieu s VAL 4 N 1.68 4.79 -0.29 2.11 1.01 -1.26 -4.89 120.40 123.55 1ieu s VAL 4 Ca 0.06 -0.02 -0.09 0.00 0.00 0.00 0.00 61.98 61.94 1ieu s VAL 4 Cb -0.17 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 1ieu s VAL 4 CO -0.20 0.35 0.13 -0.54 0.00 0.00 0.00 175.10 174.83 1ieu s LYS 5 N 1.26 3.44 0.39 2.72 1.02 -1.26 -4.79 119.74 122.53 1ieu s LYS 5 Ca 0.06 -0.64 -0.23 0.00 0.02 0.00 0.00 55.97 55.18 1ieu s LYS 5 Cb -0.14 -3.49 -0.10 0.00 -0.52 0.00 0.00 37.83 33.57 1ieu s LYS 5 CO 0.05 -0.34 0.97 0.71 -0.92 0.00 0.00 175.35 175.81 1ieu s TYR 6 N 1.61 3.43 -0.00 3.18 2.02 -1.26 -2.75 117.35 123.59 1ieu s TYR 6 Ca 0.05 1.68 0.05 0.00 -0.37 0.00 0.00 57.07 58.48 1ieu s TYR 6 Cb -0.16 -2.93 -0.01 0.00 -0.40 0.00 0.00 41.96 38.45 1ieu s TYR 6 CO 0.06 -0.10 -0.16 0.71 -1.57 0.00 0.00 175.55 174.49 1ieu s TYR 7 N -1.89 1.41 0.52 2.71 2.02 -1.11 -4.82 117.35 116.19 1ieu s TYR 7 Ca 0.57 -0.28 -0.23 0.00 -0.37 0.00 0.00 57.07 56.77 1ieu s TYR 7 Cb -0.15 -0.89 -0.06 0.00 -0.40 0.00 0.00 41.96 40.46 1ieu s TYR 7 CO 0.19 -0.01 1.35 0.95 -1.57 0.00 0.00 175.55 176.46 1ieu s THR 8 N -0.44 2.20 0.43 -0.71 -4.23 -1.26 -3.36 115.64 108.26 1ieu s THR 8 Ca 0.06 0.16 0.13 0.00 -1.18 0.00 0.00 61.69 60.85 1ieu s THR 8 Cb -0.06 -3.08 0.17 0.00 1.34 0.00 0.00 72.50 70.87 1ieu s THR 8 CO -0.00 0.00 1.96 -0.07 -0.54 0.00 0.00 174.62 175.97 1ieu h LEU 9 N 1.70 0.06 -1.89 4.79 4.07 -1.99 -1.85 115.31 120.20 1ieu h LEU 9 Ca -0.51 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.43 1ieu h LEU 9 Cb 1.29 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 43.01 1ieu h LEU 9 CO 0.58 0.25 -0.07 -0.33 -1.08 0.00 0.00 178.44 177.79 1ieu h GLU 10 N 0.07 0.00 0.00 1.13 5.08 -2.00 -1.59 114.58 117.27 1ieu h GLU 10 Ca 0.01 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.17 1ieu h GLU 10 Cb 0.35 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1ieu h GLU 10 CO 0.02 0.07 -1.03 1.49 -1.00 0.00 0.00 179.01 178.56 1ieu h GLU 11 N 0.00 0.00 0.46 2.33 4.81 -1.70 -2.61 114.58 117.87 1ieu h GLU 11 Ca -0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1ieu h GLU 11 Cb 0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1ieu h GLU 11 CO 0.01 0.84 -0.22 0.82 -0.73 0.00 0.00 179.01 179.72 1ieu h ILE 12 N 0.00 0.00 0.00 2.32 2.04 -1.13 -3.18 117.51 117.55 1ieu h ILE 12 Ca -0.05 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 1ieu h ILE 12 Cb 1.74 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1ieu h ILE 12 CO 0.11 0.00 -0.06 0.06 0.00 0.00 0.00 178.15 178.26 1ieu h GLN 13 N -1.00 0.00 -0.09 2.37 3.07 -1.59 -2.38 115.11 115.49 1ieu h GLN 13 Ca -0.06 0.00 0.03 0.00 0.09 0.00 0.00 58.65 58.70 1ieu h GLN 13 Cb 0.48 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.03 1ieu h GLN 13 CO 0.10 0.06 0.08 0.87 0.09 0.00 0.00 178.83 180.04 1ieu h LYS 14 N 0.00 0.00 -6.72 0.06 1.57 -1.44 -3.41 116.57 106.63 1ieu h LYS 14 Ca -0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.28 1ieu h LYS 14 Cb 0.29 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1ieu h LYS 14 CO 0.01 0.00 0.36 -1.01 -0.57 0.00 0.00 179.45 178.23 1ieu s HIS 15 N -4.82 3.95 0.00 -1.35 3.76 -0.90 -5.06 115.29 110.88 1ieu s HIS 15 Ca -0.05 1.89 0.00 0.00 -0.15 0.00 0.00 55.06 56.75 1ieu s HIS 15 Cb 0.16 -3.00 0.00 0.00 1.11 0.00 0.00 32.58 30.85 1ieu s HIS 15 CO 0.61 0.38 0.00 1.17 -0.85 0.00 0.00 174.74 176.05 1ieu n LYS 16 N 1.69 2.58 -1.19 1.40 3.00 -1.26 -4.89 118.16 119.49 1ieu n LYS 16 Ca -0.01 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.01 1ieu n LYS 16 Cb 0.47 0.00 0.09 0.00 0.00 0.00 0.00 35.03 35.60 1ieu n LYS 16 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1ieu n ASP 17 N -0.91 6.42 -0.10 3.14 9.92 -1.26 -4.13 116.55 129.62 1ieu n ASP 17 Ca 0.00 -3.57 -0.14 0.00 -0.53 0.00 0.00 54.79 50.55 1ieu n ASP 17 Cb 0.00 -0.94 -0.05 0.00 -0.64 0.00 0.00 41.12 39.49 1ieu n ASP 17 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1ieu n SER 18 N -0.72 1.93 -0.09 -2.24 2.88 -1.26 -4.87 113.62 109.25 1ieu n SER 18 Ca 0.55 0.36 -0.17 0.00 -1.33 0.00 0.00 58.87 58.28 1ieu n SER 18 Cb 0.88 -0.77 -0.06 0.00 -0.75 0.00 0.00 64.21 63.51 1ieu n SER 18 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1ieu n LYS 19 N -4.42 0.41 -3.59 -1.46 4.81 -1.26 -5.11 118.16 107.53 1ieu n LYS 19 Ca -0.24 0.17 -0.04 0.00 -0.87 0.00 0.00 58.31 57.34 1ieu n LYS 19 Cb 0.59 -1.19 -0.02 0.00 0.02 0.00 0.00 35.03 34.43 1ieu n LYS 19 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1ieu s SER 20 N -6.54 -0.14 0.36 3.14 0.15 -1.26 -5.04 113.70 104.37 1ieu s SER 20 Ca -0.26 -0.02 -0.13 0.00 0.70 0.00 0.00 55.95 56.24 1ieu s SER 20 Cb 0.08 0.16 0.04 0.00 -1.71 0.00 0.00 66.02 64.59 1ieu s SER 20 CO 0.34 -0.27 0.70 0.28 1.20 0.00 0.00 173.24 175.48 1ieu s THR 21 N -2.47 0.00 0.26 6.45 -1.32 -1.26 -4.18 115.64 113.12 1ieu s THR 21 Ca 0.10 -1.16 0.08 0.00 -1.21 0.00 0.00 61.69 59.50 1ieu s THR 21 Cb -0.00 -2.69 -0.05 0.00 -1.51 0.00 0.00 72.50 68.24 1ieu s THR 21 CO -0.05 0.00 -0.10 0.26 -2.21 0.00 0.00 174.62 172.52 1ieu s TRP 22 N -2.74 1.94 0.01 9.09 0.51 -1.26 -3.10 118.94 123.39 1ieu s TRP 22 Ca 0.19 -0.61 0.04 0.00 -2.12 0.00 0.00 56.10 53.60 1ieu s TRP 22 Cb -0.04 -1.02 -0.01 0.00 -0.81 0.00 0.00 33.47 31.59 1ieu s TRP 22 CO 0.13 0.37 -0.12 0.08 -0.51 0.00 0.00 176.95 176.89 1ieu s VAL 23 N -2.92 0.98 0.53 4.03 1.01 -1.09 -4.86 120.40 118.08 1ieu s VAL 23 Ca 0.28 -0.72 -0.16 0.00 0.00 0.00 0.00 61.98 61.38 1ieu s VAL 23 Cb 0.01 -0.85 -0.07 0.00 0.00 0.00 0.00 36.38 35.47 1ieu s VAL 23 CO 0.11 0.13 0.99 -0.63 0.00 0.00 0.00 175.10 175.71 1ieu s ILE 24 N -0.54 4.56 -0.48 2.22 1.01 -1.26 -1.57 121.20 125.13 1ieu s ILE 24 Ca 0.03 1.16 0.06 0.00 0.00 0.00 0.00 60.65 61.90 1ieu s ILE 24 Cb -0.06 -3.74 0.20 0.00 0.01 0.00 0.00 42.46 38.87 1ieu s ILE 24 CO 0.00 -0.76 0.67 -0.11 0.00 0.00 0.00 174.94 174.74 1ieu n LEU 25 N -1.77 -2.53 -3.09 2.97 -0.00 -1.07 -4.95 117.00 106.56 1ieu n LEU 25 Ca 0.06 -3.40 -0.04 0.00 -0.00 0.00 0.00 56.01 52.64 1ieu n LEU 25 Cb 0.54 0.72 0.00 0.00 -0.00 0.00 0.00 43.42 44.69 1ieu n LEU 25 CO 0.48 1.94 0.24 1.41 -0.00 0.00 0.00 177.39 181.47 1ieu n HIS 26 N 2.59 -3.00 -3.05 1.96 8.25 -1.26 -4.11 115.22 116.60 1ieu n HIS 26 Ca 0.19 1.16 -0.01 0.00 -0.26 0.00 0.00 57.72 58.81 1ieu n HIS 26 Cb 0.55 -3.97 0.00 0.00 1.12 0.00 0.00 29.99 27.69 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 -1.56 -3.01 -3.63 4.41 -0.00 -1.26 -5.04 115.22 105.13 1ieu n HIS 27 Ca -0.01 1.15 -0.03 0.00 -0.00 0.00 0.00 57.72 58.84 1ieu n HIS 27 Cb 0.51 -4.10 -0.04 0.00 -0.00 0.00 0.00 29.99 26.35 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 -2.99 0.12 -0.10 1.57 1.02 -1.26 -4.59 119.74 113.51 1ieu s LYS 28 Ca 0.02 0.03 0.02 0.00 0.02 0.00 0.00 55.97 56.06 1ieu s LYS 28 Cb -0.00 0.06 -0.01 0.00 -0.52 0.00 0.00 37.83 37.35 1ieu s LYS 28 CO 0.75 -0.04 -0.17 0.08 -0.92 0.00 0.00 175.35 175.05 1ieu s VAL 29 N -1.05 2.69 -0.42 3.17 1.01 -0.97 -2.61 120.40 122.21 1ieu s VAL 29 Ca 0.08 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.19 1ieu s VAL 29 Cb -0.01 -2.08 0.10 0.00 0.00 0.00 0.00 36.38 34.40 1ieu s VAL 29 CO -0.07 0.55 0.24 -0.31 0.00 0.00 0.00 175.10 175.51 1ieu s TYR 30 N 0.09 3.48 -0.88 5.22 1.51 -0.61 -2.18 117.35 123.99 1ieu s TYR 30 Ca -0.08 -2.09 -0.25 0.00 -1.01 0.00 0.00 57.07 53.65 1ieu s TYR 30 Cb -0.15 -3.20 -0.01 0.00 -0.11 0.00 0.00 41.96 38.49 1ieu s TYR 30 CO 0.05 -0.95 1.77 0.34 -1.11 0.00 0.00 175.55 175.65 1ieu s ASP 31 N 2.09 5.56 -0.71 2.29 2.15 -0.29 -2.68 116.67 125.06 1ieu s ASP 31 Ca 0.06 -0.70 -0.02 0.00 0.43 0.00 0.00 52.55 52.31 1ieu s ASP 31 Cb -0.24 -2.56 0.39 0.00 -0.30 0.00 0.00 42.92 40.21 1ieu s ASP 31 CO -0.02 -2.33 2.06 0.18 -0.17 0.00 0.00 175.17 174.89 1ieu n LEU 32 N 12.26 7.55 0.14 -1.34 4.77 -1.18 -4.58 117.00 134.62 1ieu n LEU 32 Ca 0.33 -4.45 0.01 0.00 -0.03 0.00 0.00 56.01 51.88 1ieu n LEU 32 Cb 0.49 -1.03 0.34 0.00 -2.33 0.00 0.00 43.42 40.89 1ieu n LEU 32 CO 0.64 1.58 0.76 0.71 -1.33 0.00 0.00 177.39 179.75 1ieu h THR 33 N 1.42 1.24 0.00 -5.08 1.35 -1.87 -2.62 112.91 107.36 1ieu h THR 33 Ca 0.57 -1.16 -0.04 0.00 -0.55 0.00 0.00 66.41 65.23 1ieu h THR 33 Cb 0.51 1.53 -0.01 0.00 -1.73 0.00 0.00 68.15 68.45 1ieu h THR 33 CO 1.47 0.34 -0.92 0.50 -0.25 0.00 0.00 175.52 176.66 1ieu h LYS 34 N 0.12 0.00 0.00 4.72 1.63 -1.97 -3.32 116.57 117.75 1ieu h LYS 34 Ca 0.02 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1ieu h LYS 34 Cb 0.60 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.23 1ieu h LYS 34 CO 0.04 0.10 -0.01 0.35 -3.45 0.00 0.00 179.45 176.48 1ieu h PHE 35 N 0.00 0.00 -0.68 1.91 3.04 -1.79 -1.45 116.94 117.97 1ieu h PHE 35 Ca -0.04 0.00 0.06 0.00 3.98 0.00 0.00 57.97 61.97 1ieu h PHE 35 Cb 1.16 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.63 1ieu h PHE 35 CO 0.00 0.01 0.45 -0.07 -2.02 0.00 0.00 178.31 176.67 1ieu h LEU 36 N 0.00 0.62 -3.06 0.59 3.38 -1.66 -2.47 115.31 112.72 1ieu h LEU 36 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ieu h LEU 36 Cb 0.02 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1ieu h LEU 36 CO 0.00 0.41 0.00 -1.84 0.09 0.00 0.00 178.44 177.10 1ieu n GLU 37 N -4.47 1.94 -0.03 1.13 0.28 -0.71 -4.60 120.64 114.17 1ieu n GLU 37 Ca 0.09 -2.53 -0.02 0.00 -0.16 0.00 0.00 57.16 54.54 1ieu n GLU 37 Cb 0.21 -1.54 -0.07 0.00 1.43 0.00 0.00 31.44 31.47 1ieu n GLU 37 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1ieu n GLU 38 N -1.03 1.96 -3.92 3.44 4.71 -0.63 -4.84 120.64 120.33 1ieu n GLU 38 Ca 0.16 -0.03 -0.31 0.00 -0.01 0.00 0.00 57.16 56.97 1ieu n GLU 38 Cb 0.66 -1.23 -0.13 0.00 -1.01 0.00 0.00 31.44 29.73 1ieu n GLU 38 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 1ieu s HIS 39 N -2.33 3.25 -1.38 -0.32 3.76 -1.05 -5.01 115.29 112.21 1ieu s HIS 39 Ca -0.04 -3.10 -0.13 0.00 -0.15 0.00 0.00 55.06 51.64 1ieu s HIS 39 Cb 0.04 -2.88 0.08 0.00 1.11 0.00 0.00 32.58 30.93 1ieu s HIS 39 CO 0.37 -0.77 2.05 -0.35 -0.85 0.00 0.00 174.74 175.20 1ieu n PRO 40 N 3.23 3.11 0.00 8.40 -0.04 -1.26 -4.46 135.00 143.98 1ieu n PRO 40 Ca 0.05 -2.97 0.00 0.00 -0.04 0.00 0.00 63.50 60.54 1ieu n PRO 40 Cb 0.33 -3.21 0.00 0.00 -0.04 0.00 0.00 33.50 30.59 1ieu n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ieu n GLY 41 N 3.91 0.46 2.13 0.55 0.00 -1.26 -4.92 105.19 106.06 1ieu n GLY 41 Ca 0.48 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.28 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 2.36 4.52 5.09 -0.02 0.00 -1.26 -4.99 105.19 110.88 1ieu n GLY 42 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.12 0.00 -2.87 1.61 4.07 -1.26 -3.74 120.64 117.32 1ieu n GLU 43 Ca 0.57 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 57.25 1ieu n GLU 43 Cb 1.62 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 33.01 1ieu n GLU 43 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 1ieu n GLU 44 N 0.00 4.82 -0.17 5.31 -0.00 -1.26 -4.73 120.64 124.61 1ieu n GLU 44 Ca 0.00 -4.61 0.05 0.00 -0.00 0.00 0.00 57.16 52.60 1ieu n GLU 44 Cb 0.00 -2.49 0.13 0.00 -0.00 0.00 0.00 31.44 29.09 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 0.75 0.47 -0.23 3.84 0.24 -1.25 -4.02 118.33 118.13 1ieu n VAL 45 Ca 0.34 -0.41 -0.00 0.00 -2.04 0.00 0.00 64.34 62.23 1ieu n VAL 45 Cb 0.31 0.13 0.22 0.00 -1.47 0.00 0.00 33.84 33.03 1ieu n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ieu n LEU 46 N 0.35 4.30 0.01 1.34 -0.00 -1.26 -4.47 117.00 117.26 1ieu n LEU 46 Ca 0.10 -2.20 0.00 0.00 -0.00 0.00 0.00 56.01 53.91 1ieu n LEU 46 Cb 0.29 -0.64 0.00 0.00 -0.00 0.00 0.00 43.42 43.07 1ieu n LEU 46 CO 0.07 0.57 0.00 -1.14 -0.00 0.00 0.00 177.39 176.90 1ieu n ARG 47 N 0.17 0.00 -2.94 1.47 0.63 -1.26 -4.85 116.66 109.88 1ieu n ARG 47 Ca 0.22 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.93 1ieu n ARG 47 Cb 0.94 -0.04 0.02 0.00 0.45 0.00 0.00 32.46 33.84 1ieu n ARG 47 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1ieu n GLU 48 N -2.59 -4.19 -1.09 -0.14 4.71 -1.26 -4.75 120.64 111.33 1ieu n GLU 48 Ca 0.00 0.87 -0.14 0.00 -0.01 0.00 0.00 57.16 57.88 1ieu n GLU 48 Cb 0.00 -5.69 0.16 0.00 -1.01 0.00 0.00 31.44 24.91 1ieu n GLU 48 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1ieu n GLN 49 N -3.82 2.19 -0.85 3.49 3.00 -1.26 -4.53 117.38 115.60 1ieu n GLN 49 Ca -0.13 -3.26 -0.04 0.00 -0.01 0.00 0.00 57.00 53.56 1ieu n GLN 49 Cb 0.62 -2.00 0.19 0.00 0.00 0.00 0.00 30.24 29.05 1ieu n GLN 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ieu n ALA 50 N -1.07 4.27 0.00 -1.58 0.00 -1.26 -4.92 120.51 115.95 1ieu n ALA 50 Ca 0.44 -3.25 0.00 0.00 0.00 0.00 0.00 53.44 50.63 1ieu n ALA 50 Cb 1.13 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 -1.10 1.28 0.00 0.00 0.00 -1.26 -5.18 105.19 98.94 1ieu n GLY 51 Ca 0.31 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 3.90 2.87 -0.02 0.00 -1.26 -5.13 105.19 105.54 1ieu n GLY 52 Ca 0.00 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 1ieu n GLY 52 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ieu s ASP 53 N 1.66 3.95 0.55 1.61 -4.77 -1.26 -5.07 116.67 113.34 1ieu s ASP 53 Ca 0.00 -1.44 0.00 0.00 -3.30 0.00 0.00 52.55 47.81 1ieu s ASP 53 Cb 0.00 -1.09 0.00 0.00 -1.09 0.00 0.00 42.92 40.74 1ieu s ASP 53 CO 0.00 -0.32 0.00 0.00 0.70 0.00 0.00 175.17 175.55 1ieu n ALA 54 N 4.70 -3.85 -1.63 2.11 0.00 -1.26 -4.55 120.51 116.03 1ieu n ALA 54 Ca -0.06 0.81 -0.25 0.00 0.00 0.00 0.00 53.44 53.94 1ieu n ALA 54 Cb 0.43 -1.53 0.08 0.00 0.00 0.00 0.00 19.45 18.44 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 -4.36 2.99 0.21 0.00 -2.24 -1.26 -4.68 114.28 104.95 1ieu n THR 55 Ca -0.06 -3.38 0.05 0.00 -2.27 0.00 0.00 64.05 58.39 1ieu n THR 55 Cb 0.69 -0.98 0.52 0.00 -2.10 0.00 0.00 70.33 68.46 1ieu n THR 55 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1ieu h GLU 56 N 1.86 0.05 -1.91 -0.78 4.57 -1.99 -3.41 114.58 112.97 1ieu h GLU 56 Ca 0.45 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.66 1ieu h GLU 56 Cb 1.34 -0.01 -0.22 0.00 -0.16 0.00 0.00 28.75 29.70 1ieu h GLU 56 CO 1.03 0.17 0.07 1.21 -1.18 0.00 0.00 179.01 180.32 1ieu s ASN 57 N -6.99 -0.89 -0.33 1.04 3.84 -1.26 -5.01 114.94 105.35 1ieu s ASN 57 Ca -0.04 1.40 0.09 0.00 0.21 0.00 0.00 52.86 54.51 1ieu s ASN 57 Cb 0.16 1.44 0.62 0.00 -0.55 0.00 0.00 41.25 42.92 1ieu s ASN 57 CO 0.70 -0.22 1.68 2.22 -2.79 0.00 0.00 177.10 178.68 1ieu n PHE 58 N 4.32 1.97 -4.03 0.43 1.16 -1.26 -4.98 117.46 115.07 1ieu n PHE 58 Ca -0.19 -1.45 -0.22 0.00 -1.87 0.00 0.00 57.45 53.72 1ieu n PHE 58 Cb 0.58 -0.64 -0.03 0.00 -1.61 0.00 0.00 39.48 37.77 1ieu n PHE 58 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 1ieu s GLU 59 N -3.13 3.20 0.65 3.97 2.02 -1.26 -4.42 118.70 119.73 1ieu s GLU 59 Ca 0.51 -0.86 -0.06 0.00 0.02 0.00 0.00 54.97 54.58 1ieu s GLU 59 Cb 0.43 -2.76 0.04 0.00 0.10 0.00 0.00 34.13 31.94 1ieu s GLU 59 CO 0.08 0.43 0.95 0.34 0.02 0.00 0.00 175.26 177.08 1ieu s ASP 60 N -3.77 5.15 0.00 -0.19 2.15 -1.26 -4.96 116.67 113.79 1ieu s ASP 60 Ca 0.33 0.52 0.23 0.00 0.43 0.00 0.00 52.55 54.06 1ieu s ASP 60 Cb -0.09 -1.32 1.22 0.00 -0.30 0.00 0.00 42.92 42.43 1ieu s ASP 60 CO 0.27 -1.35 1.81 0.55 -0.17 0.00 0.00 175.17 176.27 1ieu n VAL 61 N -2.74 0.04 -2.84 1.11 3.14 -1.26 -4.56 118.33 111.22 1ieu n VAL 61 Ca 0.07 -0.09 0.01 0.00 -2.96 0.00 0.00 64.34 61.37 1ieu n VAL 61 Cb 0.59 -0.14 0.01 0.00 -1.06 0.00 0.00 33.84 33.24 1ieu n VAL 61 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1ieu s GLY 62 N -1.72 -1.52 -0.07 7.55 0.00 -1.26 -5.01 107.32 105.29 1ieu s GLY 62 Ca 0.34 0.98 0.03 0.00 0.00 0.00 0.00 44.72 46.07 1ieu s GLY 62 CO 0.27 4.17 -0.02 -2.39 0.00 0.00 0.00 173.10 175.14 1ieu n HIS 63 N 3.70 0.00 -3.46 1.90 1.44 -1.26 -5.05 115.22 112.50 1ieu n HIS 63 Ca 0.07 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.80 1ieu n HIS 63 Cb 0.62 -0.31 -0.05 0.00 0.12 0.00 0.00 29.99 30.37 1ieu n HIS 63 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1ieu s SER 64 N -4.20 -0.34 0.26 4.39 0.01 -1.26 -4.94 113.70 107.61 1ieu s SER 64 Ca -0.06 0.50 0.00 0.00 1.31 0.00 0.00 55.95 57.69 1ieu s SER 64 Cb 0.02 1.29 0.00 0.00 0.21 0.00 0.00 66.02 67.54 1ieu s SER 64 CO 0.23 -0.07 0.00 0.35 0.41 0.00 0.00 173.24 174.15 1ieu n THR 65 N 4.19 0.00 -2.66 1.44 -2.24 -1.26 -3.96 114.28 109.80 1ieu n THR 65 Ca -0.12 0.05 -0.43 0.00 -2.27 0.00 0.00 64.05 61.27 1ieu n THR 65 Cb 0.55 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 1ieu n THR 65 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ieu n ASP 66 N -4.34 4.99 -4.56 3.42 8.00 -1.26 -4.97 116.55 117.83 1ieu n ASP 66 Ca 0.00 -2.94 -0.25 0.00 0.71 0.00 0.00 54.79 52.31 1ieu n ASP 66 Cb 0.62 -1.68 0.13 0.00 -0.02 0.00 0.00 41.12 40.17 1ieu n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ieu s ALA 67 N 3.19 3.46 0.00 2.24 0.00 -1.25 -5.05 121.76 124.35 1ieu s ALA 67 Ca 0.50 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.76 1ieu s ALA 67 Cb 0.02 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 21.03 1ieu s ALA 67 CO 0.04 -1.68 0.00 0.54 0.00 0.00 0.00 175.76 174.67 1ieu n ARG 68 N -3.02 0.00 -3.11 0.00 5.12 -1.26 -5.05 116.66 109.34 1ieu n ARG 68 Ca 0.16 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 56.13 1ieu n ARG 68 Cb 0.60 -0.20 0.00 0.00 -1.16 0.00 0.00 32.46 31.71 1ieu n ARG 68 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1ieu s GLU 69 N -1.62 0.10 -0.57 5.56 2.12 -1.26 -5.01 118.70 118.01 1ieu s GLU 69 Ca 0.00 0.08 -0.04 0.00 0.36 0.00 0.00 54.97 55.37 1ieu s GLU 69 Cb 0.00 0.04 0.06 0.00 0.26 0.00 0.00 34.13 34.49 1ieu s GLU 69 CO 0.00 -0.19 2.74 -0.11 -0.54 0.00 0.00 175.26 177.16 1ieu n LEU 70 N 4.92 6.68 -2.09 2.70 7.94 -1.26 -4.51 117.00 131.38 1ieu n LEU 70 Ca 0.09 -4.17 -0.17 0.00 -1.11 0.00 0.00 56.01 50.66 1ieu n LEU 70 Cb 0.59 -1.26 0.22 0.00 0.53 0.00 0.00 43.42 43.50 1ieu n LEU 70 CO -0.17 1.78 1.17 -1.20 -1.11 0.00 0.00 177.39 177.87 1ieu n SER 71 N 1.06 4.02 -0.02 1.96 7.64 -1.26 -4.29 113.62 122.73 1ieu n SER 71 Ca 0.51 -3.50 -0.02 0.00 1.01 0.00 0.00 58.87 56.87 1ieu n SER 71 Cb 0.52 -0.80 -0.03 0.00 -1.01 0.00 0.00 64.21 62.89 1ieu n SER 71 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1ieu n LYS 72 N -0.83 2.76 -0.62 1.43 2.85 -1.26 -4.61 118.16 117.87 1ieu n LYS 72 Ca 0.52 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.83 1ieu n LYS 72 Cb 1.55 -1.10 0.28 0.00 -0.65 0.00 0.00 35.03 35.11 1ieu n LYS 72 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 1ieu n THR 73 N -2.24 1.91 -1.99 0.58 5.66 -1.26 -3.99 114.28 112.96 1ieu n THR 73 Ca -0.07 -0.97 0.01 0.00 -3.05 0.00 0.00 64.05 59.97 1ieu n THR 73 Cb 0.62 -0.35 0.01 0.00 -1.55 0.00 0.00 70.33 69.05 1ieu n THR 73 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1ieu n TYR 74 N 0.42 0.00 -4.00 1.09 4.01 -1.26 -5.07 117.16 112.35 1ieu n TYR 74 Ca 0.19 -0.10 -0.26 0.00 -0.16 0.00 0.00 57.90 57.58 1ieu n TYR 74 Cb 0.91 -0.06 -0.04 0.00 -0.31 0.00 0.00 39.34 39.84 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 -0.17 5.03 0.00 -0.72 1.01 -1.26 -1.14 121.20 123.95 1ieu s ILE 75 Ca 0.04 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.83 1ieu s ILE 75 Cb 0.05 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.92 1ieu s ILE 75 CO -0.01 -0.13 0.00 2.30 0.00 0.00 0.00 174.94 177.10 1ieu n ILE 76 N -0.58 0.00 -1.06 2.92 -5.35 -0.93 -4.68 119.36 109.68 1ieu n ILE 76 Ca -0.08 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.40 1ieu n ILE 76 Cb 0.55 -0.49 0.00 0.00 -1.74 0.00 0.00 39.64 37.96 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 3.20 2.61 1.84 3.28 0.00 -1.25 -4.18 105.19 110.69 1ieu n GLY 77 Ca 0.00 -0.32 -0.15 0.00 0.00 0.00 0.00 46.02 45.54 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 1.07 -3.37 1.61 1.02 -1.11 -2.29 120.64 117.58 1ieu n GLU 78 Ca 0.00 -1.88 -0.38 0.00 -0.02 0.00 0.00 57.16 54.87 1ieu n GLU 78 Cb 0.00 0.74 -0.06 0.00 -0.02 0.00 0.00 31.44 32.10 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 4.42 0.34 -4.62 1.98 -1.26 -2.76 118.68 116.78 1ieu s LEU 79 Ca 0.05 1.00 -0.28 0.00 -2.89 0.00 0.00 54.13 52.02 1ieu s LEU 79 Cb 0.00 -2.72 -0.13 0.00 0.66 0.00 0.00 46.19 44.01 1ieu s LEU 79 CO 0.04 0.19 1.18 1.57 -1.89 0.00 0.00 176.35 177.44 1ieu n HIS 80 N 2.46 1.86 0.43 5.38 -0.00 -1.21 -4.82 115.22 119.31 1ieu n HIS 80 Ca -0.10 0.60 0.13 0.00 -0.00 0.00 0.00 57.72 58.34 1ieu n HIS 80 Cb 0.52 -2.35 0.48 0.00 -0.00 0.00 0.00 29.99 28.64 1ieu n HIS 80 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1ieu h PRO 81 N 2.26 0.00 -0.13 1.57 0.13 -1.95 -3.12 132.00 130.76 1ieu h PRO 81 Ca -0.44 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.73 1ieu h PRO 81 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 1ieu h PRO 81 CO 0.61 0.00 0.15 0.22 -0.23 0.00 0.00 178.00 178.75 1ieu h ASP 82 N 0.00 0.00 0.00 1.44 3.58 -2.01 -3.04 116.42 116.40 1ieu h ASP 82 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1ieu h ASP 82 Cb 0.53 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1ieu h ASP 82 CO 0.00 0.00 -0.06 0.47 -2.88 0.00 0.00 179.24 176.77 1ieu n ASP 83 N -3.81 0.31 -4.53 2.28 8.00 -1.21 -4.89 116.55 112.69 1ieu n ASP 83 Ca 0.00 -0.36 -0.32 0.00 0.71 0.00 0.00 54.79 54.83 1ieu n ASP 83 Cb 0.25 0.78 0.16 0.00 -0.02 0.00 0.00 41.12 42.30 1ieu n ASP 83 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1ieu n ARG 84 N -0.81 -0.67 -2.72 -1.24 5.12 -1.15 -4.87 116.66 110.32 1ieu n ARG 84 Ca 0.00 -0.14 -0.42 0.00 -1.93 0.00 0.00 57.85 55.35 1ieu n ARG 84 Cb 0.00 -2.13 -0.03 0.00 -1.16 0.00 0.00 32.46 29.14 1ieu n ARG 84 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1ieu s SER 85 N -2.34 6.25 0.00 0.55 0.01 -1.26 -4.11 113.70 112.79 1ieu s SER 85 Ca 0.63 -0.94 0.00 0.00 1.31 0.00 0.00 55.95 56.94 1ieu s SER 85 Cb -0.22 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.53 1ieu s SER 85 CO 0.63 -1.56 0.00 2.29 0.41 0.00 0.00 173.24 175.01 1ieu n LYS 86 N 8.35 0.00 -2.45 12.44 2.85 -1.26 -5.14 118.16 132.94 1ieu n LYS 86 Ca 0.05 0.00 -0.27 0.00 -1.05 0.00 0.00 58.31 57.05 1ieu n LYS 86 Cb 0.48 0.00 0.02 0.00 -0.65 0.00 0.00 35.03 34.88 1ieu n LYS 86 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1ieu s ILE 87 N -0.78 3.88 0.45 0.58 1.01 -1.26 -4.96 121.20 120.13 1ieu s ILE 87 Ca 0.00 0.02 0.13 0.00 0.00 0.00 0.00 60.65 60.80 1ieu s ILE 87 Cb 0.00 -3.52 0.22 0.00 0.01 0.00 0.00 42.46 39.16 1ieu s ILE 87 CO 0.00 -0.53 2.03 0.00 0.00 0.00 0.00 174.94 176.44 1ieu h ALA 88 N -0.09 1.75 -3.33 9.38 0.00 -1.98 -3.49 119.26 121.50 1ieu h ALA 88 Ca -0.46 -0.10 0.23 0.00 0.00 0.00 0.00 54.91 54.58 1ieu h ALA 88 Cb 1.25 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 18.85 1ieu h ALA 88 CO 0.61 0.19 -1.12 1.63 0.00 0.00 0.00 179.25 180.56 1ieu n LYS 89 N -4.40 -3.32 -0.13 0.00 5.02 -1.26 -4.98 118.16 109.09 1ieu n LYS 89 Ca -0.01 2.68 0.00 0.00 -2.02 0.00 0.00 58.31 58.96 1ieu n LYS 89 Cb 0.18 -3.67 0.00 0.00 -0.02 0.00 0.00 35.03 31.51 1ieu n LYS 89 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1ieu n PRO 90 N -3.73 0.79 -1.49 1.97 -0.04 -1.26 -5.01 135.00 126.24 1ieu n PRO 90 Ca -0.07 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.20 1ieu n PRO 90 Cb 0.59 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 34.14 1ieu n PRO 90 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ieu n SER 91 N -1.65 4.69 -1.45 3.54 3.41 -1.26 -5.08 113.62 115.83 1ieu n SER 91 Ca 0.00 -3.78 0.18 0.00 -0.26 0.00 0.00 58.87 55.01 1ieu n SER 91 Cb 0.00 -0.56 -0.09 0.00 -0.26 0.00 0.00 64.21 63.30 1ieu n SER 91 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ieu n GLU 92 N -0.89 -3.29 -3.38 4.33 -0.58 -1.26 -4.99 120.64 110.58 1ieu n GLU 92 Ca 0.44 2.63 0.02 0.00 -0.42 0.00 0.00 57.16 59.83 1ieu n GLU 92 Cb 0.91 -3.87 -0.03 0.00 -0.57 0.00 0.00 31.44 27.89 1ieu n GLU 92 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1ieu s THR 93 N -4.00 -0.90 0.00 2.62 -4.23 -1.26 -5.31 115.64 102.56 1ieu s THR 93 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1ieu s THR 93 Cb 0.00 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.84 1ieu s THR 93 CO 0.00 0.00 0.00 -0.11 -0.54 0.00 0.00 174.62 173.97