#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 0.00 -3.60 -0.67 5.02 -1.26 -5.16 118.16 112.48 1ieu n LYS 2 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 1ieu n LYS 2 Cb 0.00 -0.04 -0.02 0.00 -0.02 0.00 0.00 35.03 34.96 1ieu n LYS 2 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1ieu s ASP 3 N -4.80 -0.11 -0.46 4.39 2.15 -1.26 -5.09 116.67 111.48 1ieu s ASP 3 Ca 0.00 -0.01 -0.27 0.00 0.43 0.00 0.00 52.55 52.70 1ieu s ASP 3 Cb 0.00 0.13 -0.05 0.00 -0.30 0.00 0.00 42.92 42.70 1ieu s ASP 3 CO 0.00 -0.21 2.14 -0.69 -0.17 0.00 0.00 175.17 176.25 1ieu s VAL 4 N -2.36 3.17 -0.32 1.11 1.01 -1.26 -4.92 120.40 116.82 1ieu s VAL 4 Ca 0.10 0.13 -0.21 0.00 0.00 0.00 0.00 61.98 62.00 1ieu s VAL 4 Cb -0.01 -3.36 -0.00 0.00 0.00 0.00 0.00 36.38 33.01 1ieu s VAL 4 CO -0.04 -0.32 0.66 -0.75 0.00 0.00 0.00 175.10 174.65 1ieu s LYS 5 N 7.28 3.83 0.32 2.72 2.20 -1.26 -4.72 119.74 130.12 1ieu s LYS 5 Ca 0.87 0.27 -0.27 0.00 -0.36 0.00 0.00 55.97 56.48 1ieu s LYS 5 Cb -0.19 -3.76 -0.10 0.00 -1.51 0.00 0.00 37.83 32.28 1ieu s LYS 5 CO 0.27 -0.65 0.96 0.71 -0.36 0.00 0.00 175.35 176.27 1ieu s TYR 6 N 2.72 3.70 -0.04 4.03 2.02 -1.26 -3.39 117.35 125.13 1ieu s TYR 6 Ca 0.26 1.79 0.06 0.00 -0.37 0.00 0.00 57.07 58.82 1ieu s TYR 6 Cb -0.15 -2.96 -0.02 0.00 -0.40 0.00 0.00 41.96 38.44 1ieu s TYR 6 CO 0.13 0.16 -0.23 0.71 -1.57 0.00 0.00 175.55 174.75 1ieu s TYR 7 N -1.54 2.46 1.00 2.71 1.51 -1.14 -4.77 117.35 117.58 1ieu s TYR 7 Ca 0.49 -0.44 -0.11 0.00 -1.01 0.00 0.00 57.07 56.00 1ieu s TYR 7 Cb -0.20 -1.56 0.20 0.00 -0.11 0.00 0.00 41.96 40.28 1ieu s TYR 7 CO 0.26 -0.03 1.10 0.95 -1.11 0.00 0.00 175.55 176.72 1ieu s THR 8 N -0.51 2.06 0.43 -0.71 -4.23 -1.26 -3.54 115.64 107.89 1ieu s THR 8 Ca 0.07 0.02 0.21 0.00 -1.18 0.00 0.00 61.69 60.80 1ieu s THR 8 Cb -0.11 -2.05 0.23 0.00 1.34 0.00 0.00 72.50 71.91 1ieu s THR 8 CO 0.01 -0.03 2.03 -0.07 -0.54 0.00 0.00 174.62 176.02 1ieu h LEU 9 N -2.15 0.00 -0.93 4.79 3.38 -1.99 -1.85 115.31 116.56 1ieu h LEU 9 Ca -0.50 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.37 1ieu h LEU 9 Cb 1.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1ieu h LEU 9 CO 0.45 0.16 -0.47 -0.33 0.09 0.00 0.00 178.44 178.33 1ieu h GLU 10 N 0.00 0.00 0.00 1.13 5.08 -1.96 -2.26 114.58 116.57 1ieu h GLU 10 Ca -0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 1ieu h GLU 10 Cb 0.33 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1ieu h GLU 10 CO 0.02 0.47 -0.85 1.49 -1.00 0.00 0.00 179.01 179.14 1ieu h GLU 11 N 0.00 0.02 0.11 2.33 4.57 -1.67 -2.84 114.58 117.11 1ieu h GLU 11 Ca -0.00 -0.02 -0.27 0.00 -1.18 0.00 0.00 59.36 57.88 1ieu h GLU 11 Cb 0.93 0.01 0.01 0.00 -0.16 0.00 0.00 28.75 29.54 1ieu h GLU 11 CO 0.06 0.85 -1.20 0.82 -1.18 0.00 0.00 179.01 178.36 1ieu h ILE 12 N 0.01 1.44 -0.34 2.32 1.08 -1.36 -3.22 117.51 117.44 1ieu h ILE 12 Ca -0.01 -2.84 0.00 0.00 -0.39 0.00 0.00 64.86 61.61 1ieu h ILE 12 Cb 1.49 2.82 0.00 0.00 -3.07 0.00 0.00 36.82 38.07 1ieu h ILE 12 CO 0.11 0.84 0.00 0.00 -0.69 0.00 0.00 178.15 178.41 1ieu n GLN 13 N -3.62 2.71 0.07 2.37 6.02 -0.87 -3.94 117.38 120.13 1ieu n GLN 13 Ca -0.09 -1.61 0.12 0.00 -0.01 0.00 0.00 57.00 55.41 1ieu n GLN 13 Cb 0.99 -1.71 0.07 0.00 1.02 0.00 0.00 30.24 30.60 1ieu n GLN 13 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1ieu n LYS 14 N 0.45 0.44 -3.57 -1.09 4.76 -1.07 -4.83 118.16 113.24 1ieu n LYS 14 Ca 0.14 0.09 -0.36 0.00 -2.87 0.00 0.00 58.31 55.31 1ieu n LYS 14 Cb 0.62 -1.74 -0.07 0.00 -1.84 0.00 0.00 35.03 32.00 1ieu n LYS 14 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1ieu s HIS 15 N -3.26 3.46 0.04 2.13 3.76 -1.25 -4.79 115.29 115.37 1ieu s HIS 15 Ca 0.03 0.57 0.00 0.00 -0.15 0.00 0.00 55.06 55.50 1ieu s HIS 15 Cb 0.12 -2.31 0.00 0.00 1.11 0.00 0.00 32.58 31.50 1ieu s HIS 15 CO 0.77 0.26 0.00 1.17 -0.85 0.00 0.00 174.74 176.09 1ieu n LYS 16 N 3.50 0.00 -1.69 1.40 4.81 -1.26 -4.84 118.16 120.08 1ieu n LYS 16 Ca -0.13 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.00 1ieu n LYS 16 Cb 0.52 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.54 1ieu n LYS 16 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1ieu n ASP 17 N -2.38 6.91 0.00 3.14 5.75 -1.26 -4.53 116.55 124.18 1ieu n ASP 17 Ca 0.00 -3.35 0.00 0.00 -0.01 0.00 0.00 54.79 51.43 1ieu n ASP 17 Cb 0.00 -1.21 0.00 0.00 -1.03 0.00 0.00 41.12 38.88 1ieu n ASP 17 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1ieu n SER 18 N 0.65 0.00 0.03 -1.12 2.88 -1.26 -5.12 113.62 109.68 1ieu n SER 18 Ca 0.51 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 1ieu n SER 18 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 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 -1.02 0.00 -3.52 -1.46 4.81 -1.26 -5.13 118.16 110.58 1ieu n LYS 19 Ca 0.00 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.08 1ieu n LYS 19 Cb 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 34.99 1ieu n LYS 19 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1ieu s SER 20 N -1.93 6.72 0.26 3.14 0.01 -1.26 -5.01 113.70 115.63 1ieu s SER 20 Ca 0.00 0.89 -0.11 0.00 1.31 0.00 0.00 55.95 58.04 1ieu s SER 20 Cb 0.00 -2.22 -0.00 0.00 0.21 0.00 0.00 66.02 64.01 1ieu s SER 20 CO 0.00 0.20 0.46 0.28 0.41 0.00 0.00 173.24 174.59 1ieu s THR 21 N -1.33 0.00 0.44 1.44 -1.32 -1.26 -4.57 115.64 109.04 1ieu s THR 21 Ca 0.31 -1.47 0.04 0.00 -1.21 0.00 0.00 61.69 59.37 1ieu s THR 21 Cb -0.15 -2.32 -0.04 0.00 -1.51 0.00 0.00 72.50 68.48 1ieu s THR 21 CO 0.17 0.00 0.03 0.26 -2.21 0.00 0.00 174.62 172.87 1ieu s TRP 22 N -3.82 2.09 0.18 9.09 0.51 -1.26 -3.00 118.94 122.73 1ieu s TRP 22 Ca 0.25 -0.90 0.01 0.00 -2.12 0.00 0.00 56.10 53.34 1ieu s TRP 22 Cb -0.00 -1.57 -0.05 0.00 -0.81 0.00 0.00 33.47 31.04 1ieu s TRP 22 CO 0.11 0.21 0.03 0.08 -0.51 0.00 0.00 176.95 176.87 1ieu s VAL 23 N -2.92 0.54 -0.09 4.03 1.01 -1.03 -4.87 120.40 117.08 1ieu s VAL 23 Ca 0.22 -1.97 0.04 0.00 0.00 0.00 0.00 61.98 60.27 1ieu s VAL 23 Cb 0.06 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 1ieu s VAL 23 CO 0.11 -0.38 -0.23 -0.63 0.00 0.00 0.00 175.10 173.97 1ieu s ILE 24 N -3.76 2.14 -0.60 2.22 1.09 -1.26 -1.13 121.20 119.90 1ieu s ILE 24 Ca 0.27 -1.01 -0.00 0.00 -1.10 0.00 0.00 60.65 58.81 1ieu s ILE 24 Cb 0.07 -1.81 0.49 0.00 -1.06 0.00 0.00 42.46 40.15 1ieu s ILE 24 CO 0.05 0.56 1.95 0.18 -0.10 0.00 0.00 174.94 177.58 1ieu n LEU 25 N 3.30 7.28 0.00 2.97 7.99 -1.14 -4.68 117.00 132.72 1ieu n LEU 25 Ca -0.18 -4.20 0.00 0.00 -0.01 0.00 0.00 56.01 51.61 1ieu n LEU 25 Cb 0.53 -0.90 0.00 0.00 -0.11 0.00 0.00 43.42 42.93 1ieu n LEU 25 CO 0.27 1.44 0.00 1.41 -1.51 0.00 0.00 177.39 179.00 1ieu n HIS 26 N -0.95 0.00 -2.24 -1.77 8.25 -1.26 -4.52 115.22 112.74 1ieu n HIS 26 Ca 0.60 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 58.06 1ieu n HIS 26 Cb 0.85 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.75 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 -2.00 -0.06 -3.59 4.41 -0.00 -1.26 -5.02 115.22 107.70 1ieu n HIS 27 Ca 0.00 -0.05 -0.07 0.00 -0.00 0.00 0.00 57.72 57.60 1ieu n HIS 27 Cb 0.00 0.50 -0.02 0.00 -0.00 0.00 0.00 29.99 30.47 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 0.00 0.95 0.04 1.57 3.01 -1.26 -4.14 119.74 119.91 1ieu s LYS 28 Ca 0.00 -0.43 0.07 0.00 -1.01 0.00 0.00 55.97 54.61 1ieu s LYS 28 Cb 0.01 0.39 -0.03 0.00 -1.01 0.00 0.00 37.83 37.19 1ieu s LYS 28 CO -0.00 -0.42 -0.18 0.08 0.51 0.00 0.00 175.35 175.34 1ieu s VAL 29 N -3.17 2.81 -0.39 3.17 1.01 -0.94 -2.90 120.40 119.99 1ieu s VAL 29 Ca 0.08 -1.18 0.01 0.00 0.00 0.00 0.00 61.98 60.89 1ieu s VAL 29 Cb -0.01 -2.19 0.12 0.00 0.00 0.00 0.00 36.38 34.30 1ieu s VAL 29 CO -0.05 0.33 0.17 -0.31 0.00 0.00 0.00 175.10 175.25 1ieu s TYR 30 N -0.93 2.02 -0.82 5.22 1.51 -0.28 -2.99 117.35 121.07 1ieu s TYR 30 Ca 0.15 -2.23 -0.25 0.00 -1.01 0.00 0.00 57.07 53.73 1ieu s TYR 30 Cb -0.10 -1.91 -0.03 0.00 -0.11 0.00 0.00 41.96 39.80 1ieu s TYR 30 CO 0.05 -0.83 1.87 0.34 -1.11 0.00 0.00 175.55 175.87 1ieu s ASP 31 N 0.85 5.31 -0.63 2.29 -1.08 -0.16 -2.45 116.67 120.79 1ieu s ASP 31 Ca 0.14 -0.44 0.00 0.00 -0.52 0.00 0.00 52.55 51.74 1ieu s ASP 31 Cb -0.22 -2.55 0.42 0.00 -1.46 0.00 0.00 42.92 39.11 1ieu s ASP 31 CO -0.09 -2.52 1.80 0.18 0.52 0.00 0.00 175.17 175.05 1ieu n LEU 32 N 13.12 6.90 0.21 -1.34 4.77 -1.16 -4.62 117.00 134.88 1ieu n LEU 32 Ca 0.33 -4.61 0.05 0.00 -0.03 0.00 0.00 56.01 51.75 1ieu n LEU 32 Cb 0.49 -0.84 0.47 0.00 -2.33 0.00 0.00 43.42 41.21 1ieu n LEU 32 CO 0.64 1.73 0.84 0.00 -1.33 0.00 0.00 177.39 179.27 1ieu h THR 33 N 1.62 1.10 0.00 -5.08 1.03 -1.86 -2.49 112.91 107.23 1ieu h THR 33 Ca 0.53 -0.89 -0.05 0.00 -0.01 0.00 0.00 66.41 65.99 1ieu h THR 33 Cb 0.74 1.49 -0.01 0.00 -1.07 0.00 0.00 68.15 69.30 1ieu h THR 33 CO 1.34 0.25 -1.14 0.29 -0.01 0.00 0.00 175.52 176.25 1ieu n LYS 34 N -4.12 0.61 0.23 0.00 4.76 -1.26 -3.92 118.16 114.46 1ieu n LYS 34 Ca -0.02 0.15 0.06 0.00 -2.87 0.00 0.00 58.31 55.64 1ieu n LYS 34 Cb 0.31 -1.82 0.54 0.00 -1.84 0.00 0.00 35.03 32.22 1ieu n LYS 34 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1ieu h PHE 35 N 0.00 0.00 -0.62 2.13 3.04 -1.78 0.22 116.94 119.93 1ieu h PHE 35 Ca -0.05 0.00 0.18 0.00 3.98 0.00 0.00 57.97 62.08 1ieu h PHE 35 Cb 1.18 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.66 1ieu h PHE 35 CO 0.00 0.18 0.50 -0.07 -2.02 0.00 0.00 178.31 176.90 1ieu h LEU 36 N 0.00 0.00 -0.71 0.59 3.38 -1.67 -1.64 115.31 115.27 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 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1ieu h LEU 36 CO 0.02 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.93 1ieu n GLU 37 N -4.12 0.83 0.06 1.13 1.02 -0.86 -4.66 120.64 114.03 1ieu n GLU 37 Ca 0.12 -0.35 -0.08 0.00 -0.02 0.00 0.00 57.16 56.83 1ieu n GLU 37 Cb 0.74 -0.84 -0.12 0.00 -0.02 0.00 0.00 31.44 31.19 1ieu n GLU 37 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1ieu h GLU 38 N 0.00 0.03 -2.48 3.49 4.22 0.01 -3.41 114.58 116.44 1ieu h GLU 38 Ca 0.00 -0.04 -0.58 0.00 0.08 0.00 0.00 59.36 58.82 1ieu h GLU 38 Cb 0.03 0.02 -0.38 0.00 0.50 0.00 0.00 28.75 28.91 1ieu h GLU 38 CO 0.00 0.98 -0.89 -1.01 -2.18 0.00 0.00 179.01 175.91 1ieu s HIS 39 N -2.69 0.79 -0.65 0.92 3.76 -1.07 -5.05 115.29 111.30 1ieu s HIS 39 Ca -0.00 -1.83 -0.25 0.00 -0.15 0.00 0.00 55.06 52.83 1ieu s HIS 39 Cb 0.10 -0.89 0.05 0.00 1.11 0.00 0.00 32.58 32.94 1ieu s HIS 39 CO 0.83 -0.84 1.09 -1.25 -0.85 0.00 0.00 174.74 173.72 1ieu s PRO 40 N 0.75 3.24 0.00 8.40 0.04 -1.26 -4.92 135.00 141.24 1ieu s PRO 40 Ca 0.23 -0.37 0.00 0.00 0.04 0.00 0.00 61.00 60.90 1ieu s PRO 40 Cb -0.14 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.26 1ieu s PRO 40 CO -0.06 -1.83 0.00 0.41 0.04 0.00 0.00 177.00 175.56 1ieu n GLY 41 N 5.26 1.05 2.20 0.56 0.00 -1.26 -5.00 105.19 108.00 1ieu n GLY 41 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 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 5.00 6.11 2.41 -0.02 0.00 -1.26 -4.90 105.19 112.53 1ieu n GLY 42 Ca 0.00 -2.65 -0.21 0.00 0.00 0.00 0.00 46.02 43.16 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 -0.62 -1.66 0.00 1.61 2.13 -1.26 -4.85 120.64 115.98 1ieu n GLU 43 Ca 0.41 1.03 0.12 0.00 0.66 0.00 0.00 57.16 59.38 1ieu n GLU 43 Cb 0.86 -5.68 0.07 0.00 0.27 0.00 0.00 31.44 26.95 1ieu n GLU 43 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1ieu n GLU 44 N -2.98 1.88 -3.70 5.31 0.28 -1.26 -4.80 120.64 115.37 1ieu n GLU 44 Ca -0.25 -1.55 -0.33 0.00 -0.16 0.00 0.00 57.16 54.88 1ieu n GLU 44 Cb 0.69 -1.47 -0.05 0.00 1.43 0.00 0.00 31.44 32.04 1ieu n GLU 44 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1ieu s VAL 45 N -2.19 5.21 -1.65 3.84 -7.23 -1.26 -4.17 120.40 112.94 1ieu s VAL 45 Ca 0.24 0.08 0.00 0.00 -1.81 0.00 0.00 61.98 60.49 1ieu s VAL 45 Cb 0.19 -3.62 0.00 0.00 0.56 0.00 0.00 36.38 33.52 1ieu s VAL 45 CO 0.41 0.16 0.00 0.18 -0.31 0.00 0.00 175.10 175.53 1ieu n LEU 46 N 0.45 -1.73 -2.06 1.32 4.32 -1.26 -4.77 117.00 113.27 1ieu n LEU 46 Ca -0.05 0.07 -0.04 0.00 -0.02 0.00 0.00 56.01 55.97 1ieu n LEU 46 Cb 0.52 -2.75 0.06 0.00 -1.62 0.00 0.00 43.42 39.62 1ieu n LEU 46 CO 0.46 -0.27 0.52 -1.14 -1.22 0.00 0.00 177.39 175.75 1ieu n ARG 47 N -2.90 0.87 -3.72 3.23 3.00 -1.26 -5.04 116.66 110.83 1ieu n ARG 47 Ca -0.22 -1.16 -0.34 0.00 -0.00 0.00 0.00 57.85 56.13 1ieu n ARG 47 Cb 0.67 0.43 -0.08 0.00 0.00 0.00 0.00 32.46 33.48 1ieu n ARG 47 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1ieu s GLU 48 N 0.04 2.97 -0.05 -0.14 2.02 -1.26 -4.96 118.70 117.32 1ieu s GLU 48 Ca 0.06 -3.22 -0.08 0.00 0.02 0.00 0.00 54.97 51.75 1ieu s GLU 48 Cb 0.28 -3.78 0.02 0.00 0.10 0.00 0.00 34.13 30.75 1ieu s GLU 48 CO -0.08 -1.26 0.20 -0.65 0.02 0.00 0.00 175.26 173.49 1ieu s GLN 49 N -1.25 0.35 0.00 1.61 -0.21 -1.26 -4.23 119.66 114.66 1ieu s GLN 49 Ca 0.26 0.07 0.00 0.00 0.02 0.00 0.00 55.36 55.71 1ieu s GLN 49 Cb -0.08 0.16 0.00 0.00 1.00 0.00 0.00 33.01 34.09 1ieu s GLN 49 CO -0.13 -0.06 0.00 0.00 -2.12 0.00 0.00 175.29 172.98 1ieu n ALA 50 N 2.42 0.00 -2.68 6.09 0.00 -1.26 -4.92 120.51 120.17 1ieu n ALA 50 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.85 1ieu n ALA 50 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.70 2.83 2.55 0.00 0.00 -1.26 -4.17 105.19 104.43 1ieu n GLY 51 Ca 0.00 -1.62 -0.18 0.00 0.00 0.00 0.00 46.02 44.22 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 5.02 -0.32 2.80 -0.02 0.00 -1.26 -3.85 105.19 107.55 1ieu n GLY 52 Ca 0.46 -0.10 -0.05 0.00 0.00 0.00 0.00 46.02 46.32 1ieu n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ieu n ASP 53 N -1.50 -7.99 -3.83 1.61 2.03 -1.26 -5.05 116.55 100.56 1ieu n ASP 53 Ca -0.15 0.88 -0.13 0.00 0.52 0.00 0.00 54.79 55.92 1ieu n ASP 53 Cb 0.63 -5.38 -0.14 0.00 -0.72 0.00 0.00 41.12 35.51 1ieu n ASP 53 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ieu s ALA 54 N -2.23 -0.09 -0.59 -1.67 0.00 -1.25 -4.94 121.76 110.99 1ieu s ALA 54 Ca 0.15 0.21 0.04 0.00 0.00 0.00 0.00 51.96 52.37 1ieu s ALA 54 Cb -0.04 -0.14 0.15 0.00 0.00 0.00 0.00 23.12 23.09 1ieu s ALA 54 CO 0.77 -0.05 0.37 0.95 0.00 0.00 0.00 175.76 177.81 1ieu s THR 55 N 0.31 2.39 -0.01 0.00 -4.23 -1.26 -4.28 115.64 108.57 1ieu s THR 55 Ca -0.02 -3.61 -0.22 0.00 -1.18 0.00 0.00 61.69 56.66 1ieu s THR 55 Cb -0.04 -2.62 -0.13 0.00 1.34 0.00 0.00 72.50 71.06 1ieu s THR 55 CO -0.01 -0.94 0.94 -0.33 -0.54 0.00 0.00 174.62 173.74 1ieu h GLU 56 N 5.96 -0.67 -3.12 3.99 5.08 -1.97 -3.44 114.58 120.39 1ieu h GLU 56 Ca 0.06 0.05 -0.38 0.00 -1.00 0.00 0.00 59.36 58.08 1ieu h GLU 56 Cb 0.83 0.15 -0.39 0.00 0.50 0.00 0.00 28.75 29.85 1ieu h GLU 56 CO 0.65 -0.41 -0.72 -0.80 -1.00 0.00 0.00 179.01 176.74 1ieu s ASN 57 N -4.76 1.51 -0.25 1.42 -0.87 -1.26 -5.01 114.94 105.72 1ieu s ASN 57 Ca -0.12 -0.14 0.09 0.00 -1.57 0.00 0.00 52.86 51.12 1ieu s ASN 57 Cb 0.01 -0.07 0.44 0.00 -0.02 0.00 0.00 41.25 41.62 1ieu s ASN 57 CO 0.38 -0.29 1.24 2.22 -2.57 0.00 0.00 177.10 178.08 1ieu n PHE 58 N 5.30 1.00 -3.35 2.20 -1.74 -1.26 -4.98 117.46 114.63 1ieu n PHE 58 Ca -0.05 -1.76 -0.44 0.00 -0.56 0.00 0.00 57.45 54.65 1ieu n PHE 58 Cb 0.50 -0.31 -0.08 0.00 1.52 0.00 0.00 39.48 41.10 1ieu n PHE 58 CO 0.00 0.00 0.00 -2.00 -0.56 0.00 0.00 176.76 174.20 1ieu s GLU 59 N -3.36 3.03 0.53 3.97 2.56 -1.26 -4.37 118.70 119.79 1ieu s GLU 59 Ca 0.43 -1.07 -0.09 0.00 0.00 0.00 0.00 54.97 54.24 1ieu s GLU 59 Cb 0.39 -4.06 0.14 0.00 2.00 0.00 0.00 34.13 32.60 1ieu s GLU 59 CO -0.03 -0.96 0.34 -0.40 -0.56 0.00 0.00 175.26 173.65 1ieu n ASP 60 N 5.44 -2.56 -4.68 -1.70 5.68 -1.26 -5.03 116.55 112.44 1ieu n ASP 60 Ca -0.10 -0.41 -0.27 0.00 -0.50 0.00 0.00 54.79 53.52 1ieu n ASP 60 Cb 0.46 -0.37 -0.09 0.00 -1.14 0.00 0.00 41.12 39.97 1ieu n ASP 60 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1ieu s VAL 61 N -1.47 2.07 0.00 2.12 0.11 -1.26 -4.82 120.40 117.15 1ieu s VAL 61 Ca 0.25 -1.88 0.00 0.00 -2.93 0.00 0.00 61.98 57.43 1ieu s VAL 61 Cb -0.04 -2.95 0.00 0.00 -1.53 0.00 0.00 36.38 31.86 1ieu s VAL 61 CO 0.21 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.59 1ieu n GLY 62 N -1.10 1.53 3.57 6.54 0.00 -1.26 -4.82 105.19 109.66 1ieu n GLY 62 Ca -0.04 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 1ieu n GLY 62 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ieu s HIS 63 N -0.54 2.68 -0.65 1.61 5.04 -1.26 -4.34 115.29 117.82 1ieu s HIS 63 Ca 0.00 -1.30 -0.04 0.00 -1.54 0.00 0.00 55.06 52.18 1ieu s HIS 63 Cb 0.00 -4.73 0.00 0.00 0.04 0.00 0.00 32.58 27.89 1ieu s HIS 63 CO 0.00 -1.86 0.66 0.45 -2.34 0.00 0.00 174.74 171.65 1ieu n SER 64 N 8.60 -7.73 -0.38 9.88 2.88 -1.26 -4.21 113.62 121.40 1ieu n SER 64 Ca 0.42 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.04 1ieu n SER 64 Cb 0.48 -5.25 0.00 0.00 -0.75 0.00 0.00 64.21 58.69 1ieu n SER 64 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1ieu n THR 65 N -1.39 0.00 -1.73 2.46 -2.24 -1.26 -3.86 114.28 106.26 1ieu n THR 65 Ca 0.03 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.59 1ieu n THR 65 Cb 0.49 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.66 1ieu n THR 65 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1ieu s ASP 66 N -4.00 4.39 1.08 3.42 1.47 -1.26 -4.20 116.67 117.57 1ieu s ASP 66 Ca 0.00 0.01 -0.09 0.00 1.18 0.00 0.00 52.55 53.65 1ieu s ASP 66 Cb 0.00 -2.54 0.14 0.00 -0.34 0.00 0.00 42.92 40.17 1ieu s ASP 66 CO 0.00 -3.35 0.57 0.00 0.68 0.00 0.00 175.17 173.07 1ieu n ALA 67 N 16.66 -1.38 -2.35 2.11 0.00 -1.25 -5.06 120.51 129.24 1ieu n ALA 67 Ca 0.42 -0.81 -0.20 0.00 0.00 0.00 0.00 53.44 52.86 1ieu n ALA 67 Cb 0.46 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1ieu n ALA 67 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1ieu s ARG 68 N -4.27 3.04 0.13 0.00 1.70 -1.26 -5.03 118.95 113.26 1ieu s ARG 68 Ca 0.35 -0.91 -0.31 0.00 -0.47 0.00 0.00 55.73 54.39 1ieu s ARG 68 Cb -0.03 -2.74 -0.10 0.00 -0.57 0.00 0.00 34.95 31.52 1ieu s ARG 68 CO 0.26 -0.10 1.68 -2.00 -1.08 0.00 0.00 175.30 174.06 1ieu s GLU 69 N -4.31 4.18 -0.61 3.89 2.56 -1.26 -4.88 118.70 118.26 1ieu s GLU 69 Ca 0.48 2.44 -0.04 0.00 0.00 0.00 0.00 54.97 57.85 1ieu s GLU 69 Cb -0.10 -3.37 0.07 0.00 2.00 0.00 0.00 34.13 32.73 1ieu s GLU 69 CO 0.33 -0.72 2.70 1.47 -0.56 0.00 0.00 175.26 178.48 1ieu n LEU 70 N 4.84 6.76 -4.19 2.70 -0.00 -1.26 -4.83 117.00 121.03 1ieu n LEU 70 Ca 0.16 -4.23 -0.43 0.00 -0.00 0.00 0.00 56.01 51.51 1ieu n LEU 70 Cb 0.38 -1.25 0.00 0.00 -0.00 0.00 0.00 43.42 42.55 1ieu n LEU 70 CO 0.63 1.79 1.92 -1.54 -0.00 0.00 0.00 177.39 180.20 1ieu n SER 71 N 1.01 4.87 0.00 1.45 3.41 -1.26 -3.76 113.62 119.34 1ieu n SER 71 Ca 0.51 -2.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.15 1ieu n SER 71 Cb 0.49 -1.60 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 5.86 0.00 -0.45 4.33 3.00 -1.26 -4.94 118.16 124.71 1ieu n LYS 72 Ca 0.43 0.00 0.05 0.00 -0.00 0.00 0.00 58.31 58.79 1ieu n LYS 72 Cb 0.41 0.00 0.23 0.00 0.00 0.00 0.00 35.03 35.67 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 -0.59 1.35 -1.78 3.15 -2.24 -1.25 -3.94 114.28 108.98 1ieu n THR 73 Ca 0.00 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 1ieu n THR 73 Cb 0.00 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 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 0.51 0.00 -3.91 4.78 4.02 -1.26 -5.08 117.16 116.22 1ieu n TYR 74 Ca 0.16 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.74 1ieu n TYR 74 Cb 0.69 0.02 -0.04 0.00 -0.02 0.00 0.00 39.34 39.99 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 0.00 5.40 -0.10 -0.72 1.01 -1.25 -0.99 121.20 124.54 1ieu s ILE 75 Ca 0.00 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.34 1ieu s ILE 75 Cb 0.00 -3.61 -0.07 0.00 0.01 0.00 0.00 42.46 38.79 1ieu s ILE 75 CO 0.00 0.18 -0.07 2.30 0.00 0.00 0.00 174.94 177.35 1ieu n ILE 76 N 0.43 0.56 -1.69 2.92 -5.35 -1.16 -4.73 119.36 110.34 1ieu n ILE 76 Ca -0.06 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 1ieu n ILE 76 Cb 0.51 -0.84 0.00 0.00 -1.74 0.00 0.00 39.64 37.57 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 2.95 2.25 2.20 3.28 0.00 -1.26 -4.52 105.19 110.08 1ieu n GLY 77 Ca -0.17 -0.45 -0.19 0.00 0.00 0.00 0.00 46.02 45.21 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 1.19 -3.49 1.61 1.02 -1.22 -2.22 120.64 117.53 1ieu n GLU 78 Ca 0.00 -2.24 -0.38 0.00 -0.02 0.00 0.00 57.16 54.52 1ieu n GLU 78 Cb 0.00 0.67 -0.06 0.00 -0.02 0.00 0.00 31.44 32.03 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 4.40 0.36 -4.62 1.98 -1.26 -2.87 118.68 116.67 1ieu s LEU 79 Ca 0.01 0.85 -0.27 0.00 -2.89 0.00 0.00 54.13 51.84 1ieu s LEU 79 Cb 0.00 -2.55 -0.12 0.00 0.66 0.00 0.00 46.19 44.18 1ieu s LEU 79 CO 0.01 0.24 1.14 1.57 -1.89 0.00 0.00 176.35 177.42 1ieu n HIS 80 N 2.42 1.72 0.25 5.38 -0.00 -1.23 -4.84 115.22 118.91 1ieu n HIS 80 Ca -0.13 0.59 0.14 0.00 -0.00 0.00 0.00 57.72 58.32 1ieu n HIS 80 Cb 0.52 -2.32 0.50 0.00 -0.00 0.00 0.00 29.99 28.70 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 2.10 0.00 0.00 1.57 0.13 -1.95 -2.99 132.00 130.85 1ieu h PRO 81 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 1ieu h PRO 81 Cb 1.31 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 1ieu h PRO 81 CO 0.60 0.07 -0.04 0.22 -0.23 0.00 0.00 178.00 178.62 1ieu h ASP 82 N 0.00 0.00 0.00 1.44 3.58 -2.01 -2.39 116.42 117.04 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 0.70 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.75 1ieu h ASP 82 CO 0.01 0.04 -1.58 0.47 -2.88 0.00 0.00 179.24 175.30 1ieu n ASP 83 N -3.64 0.97 -4.72 2.28 8.00 -1.14 -4.98 116.55 113.33 1ieu n ASP 83 Ca -0.02 -0.19 -0.43 0.00 0.71 0.00 0.00 54.79 54.86 1ieu n ASP 83 Cb 0.14 1.63 -0.01 0.00 -0.02 0.00 0.00 41.12 42.85 1ieu n ASP 83 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1ieu n ARG 84 N -1.95 2.40 -2.39 -1.24 0.00 -0.90 -4.87 116.66 107.71 1ieu n ARG 84 Ca -0.02 0.85 -0.43 0.00 -0.00 0.00 0.00 57.85 58.25 1ieu n ARG 84 Cb 0.41 -2.55 0.00 0.00 0.00 0.00 0.00 32.46 30.32 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 1.58 4.83 -0.95 6.15 3.41 -1.26 -4.25 113.62 123.14 1ieu n SER 85 Ca 0.07 -2.99 -0.06 0.00 -0.26 0.00 0.00 58.87 55.63 1ieu n SER 85 Cb 0.36 -1.58 -0.06 0.00 -0.26 0.00 0.00 64.21 62.66 1ieu n SER 85 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ieu n LYS 86 N 5.49 0.00 0.01 4.33 5.02 -1.26 -4.70 118.16 127.05 1ieu n LYS 86 Ca 0.43 -0.90 0.00 0.00 -2.02 0.00 0.00 58.31 55.82 1ieu n LYS 86 Cb 0.40 0.45 0.00 0.00 -0.02 0.00 0.00 35.03 35.86 1ieu n LYS 86 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1ieu n ILE 87 N 0.00 0.29 0.00 -0.18 5.41 -1.26 -5.00 119.36 118.62 1ieu n ILE 87 Ca -0.25 0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.59 1ieu n ILE 87 Cb 0.68 -1.10 0.00 0.00 -0.71 0.00 0.00 39.64 38.51 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 -2.74 0.00 -2.61 -1.39 0.00 -1.26 -5.01 120.51 107.50 1ieu n ALA 88 Ca 0.00 -0.10 -0.23 0.00 0.00 0.00 0.00 53.44 53.11 1ieu n ALA 88 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1ieu n ALA 88 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1ieu s LYS 89 N -0.75 2.38 -0.13 0.00 0.00 -1.26 -5.07 119.74 114.91 1ieu s LYS 89 Ca 0.00 -1.44 -0.11 0.00 0.00 0.00 0.00 55.97 54.42 1ieu s LYS 89 Cb 0.00 -2.20 -0.09 0.00 0.00 0.00 0.00 37.83 35.55 1ieu s LYS 89 CO 0.00 0.26 0.14 -1.00 0.00 0.00 0.00 175.35 174.75 1ieu h PRO 90 N 1.71 0.00 -2.29 1.78 0.13 -1.95 -3.35 132.00 128.03 1ieu h PRO 90 Ca -0.44 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.81 1ieu h PRO 90 Cb 1.25 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.24 1ieu h PRO 90 CO 0.62 0.33 0.49 -1.12 -0.23 0.00 0.00 178.00 178.09 1ieu s SER 91 N -5.90 -0.33 -0.30 1.44 0.01 -1.26 -4.78 113.70 102.59 1ieu s SER 91 Ca -0.11 -0.08 -0.12 0.00 1.31 0.00 0.00 55.95 56.94 1ieu s SER 91 Cb 0.01 0.40 0.18 0.00 0.21 0.00 0.00 66.02 66.82 1ieu s SER 91 CO 0.27 -0.68 1.08 -0.70 0.41 0.00 0.00 173.24 173.63 1ieu s GLU 92 N -3.15 0.11 -0.10 12.44 2.12 -1.26 -5.04 118.70 123.81 1ieu s GLU 92 Ca 0.06 0.09 0.20 0.00 0.36 0.00 0.00 54.97 55.69 1ieu s GLU 92 Cb -0.01 0.05 0.44 0.00 0.26 0.00 0.00 34.13 34.86 1ieu s GLU 92 CO -0.07 -0.20 1.18 0.25 -0.54 0.00 0.00 175.26 175.88 1ieu n THR 93 N 4.98 0.92 0.33 -1.70 -2.24 -1.26 -5.28 114.28 110.03 1ieu n THR 93 Ca 0.10 -2.04 0.04 0.00 -2.27 0.00 0.00 64.05 59.88 1ieu n THR 93 Cb 0.58 0.55 0.03 0.00 -2.10 0.00 0.00 70.33 69.40 1ieu n THR 93 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50