#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ieu s LYS 2 N 0.00 2.33 -0.14 -1.24 1.02 -1.26 -5.08 119.74 115.37 1ieu s LYS 2 Ca 0.00 -1.22 -0.34 0.00 0.02 0.00 0.00 55.97 54.43 1ieu s LYS 2 Cb 0.00 -2.80 0.14 0.00 -0.52 0.00 0.00 37.83 34.65 1ieu s LYS 2 CO 0.00 -0.50 1.26 0.34 -0.92 0.00 0.00 175.35 175.53 1ieu s ASP 3 N 1.16 -0.09 0.22 2.83 -1.08 -1.26 -5.13 116.67 113.32 1ieu s ASP 3 Ca -0.06 -0.04 -0.31 0.00 -0.52 0.00 0.00 52.55 51.62 1ieu s ASP 3 Cb -0.19 0.13 -0.11 0.00 -1.46 0.00 0.00 42.92 41.30 1ieu s ASP 3 CO -0.07 -0.22 1.57 -0.69 0.52 0.00 0.00 175.17 176.27 1ieu s VAL 4 N -2.37 2.42 -0.38 1.11 1.01 -1.26 -4.97 120.40 115.96 1ieu s VAL 4 Ca 0.11 0.32 -0.14 0.00 0.00 0.00 0.00 61.98 62.28 1ieu s VAL 4 Cb 0.01 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.19 1ieu s VAL 4 CO -0.04 0.04 0.28 -0.54 0.00 0.00 0.00 175.10 174.83 1ieu s LYS 5 N 0.41 3.18 0.38 2.72 1.02 -1.26 -4.83 119.74 121.37 1ieu s LYS 5 Ca 0.67 -0.87 -0.23 0.00 0.02 0.00 0.00 55.97 55.55 1ieu s LYS 5 Cb -0.45 -3.91 -0.10 0.00 -0.52 0.00 0.00 37.83 32.85 1ieu s LYS 5 CO 0.38 -0.63 0.96 0.71 -0.92 0.00 0.00 175.35 175.85 1ieu s TYR 6 N 1.70 3.46 -0.08 3.18 1.51 -1.26 -3.37 117.35 122.48 1ieu s TYR 6 Ca 0.05 1.69 0.04 0.00 -1.01 0.00 0.00 57.07 57.84 1ieu s TYR 6 Cb -0.18 -2.91 -0.01 0.00 -0.11 0.00 0.00 41.96 38.75 1ieu s TYR 6 CO 0.10 -0.03 -0.23 0.71 -1.11 0.00 0.00 175.55 174.99 1ieu s TYR 7 N -1.89 2.55 0.88 2.71 1.51 -1.13 -4.79 117.35 117.18 1ieu s TYR 7 Ca 0.57 -0.82 -0.11 0.00 -1.01 0.00 0.00 57.07 55.69 1ieu s TYR 7 Cb -0.14 -1.68 0.13 0.00 -0.11 0.00 0.00 41.96 40.15 1ieu s TYR 7 CO 0.19 -0.28 1.16 0.25 -1.11 0.00 0.00 175.55 175.76 1ieu n THR 8 N 3.23 0.70 0.23 -0.71 -2.24 -1.26 -3.71 114.28 110.52 1ieu n THR 8 Ca -0.18 -0.07 0.06 0.00 -2.27 0.00 0.00 64.05 61.59 1ieu n THR 8 Cb 0.52 -1.07 0.54 0.00 -2.10 0.00 0.00 70.33 68.23 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 -1.57 0.00 -0.96 3.22 3.38 -1.99 -1.75 115.31 115.64 1ieu h LEU 9 Ca -0.44 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.42 1ieu h LEU 9 Cb 1.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1ieu h LEU 9 CO 0.43 0.17 -0.40 -0.33 0.09 0.00 0.00 178.44 178.40 1ieu h GLU 10 N 0.00 0.25 0.09 1.13 5.08 -1.98 -0.58 114.58 118.57 1ieu h GLU 10 Ca -0.00 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1ieu h GLU 10 Cb 0.32 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1ieu h GLU 10 CO 0.02 0.61 -0.05 0.93 -1.00 0.00 0.00 179.01 179.53 1ieu h GLU 11 N 0.21 -0.12 0.00 2.33 5.08 -1.65 -2.49 114.58 117.93 1ieu h GLU 11 Ca 0.02 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1ieu h GLU 11 Cb 0.79 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1ieu h GLU 11 CO 0.06 0.06 0.00 0.82 -1.00 0.00 0.00 179.01 178.96 1ieu h ILE 12 N -0.29 0.00 -0.04 3.13 2.04 -1.47 -3.09 117.51 117.79 1ieu h ILE 12 Ca -0.01 -0.48 -0.16 0.00 1.00 0.00 0.00 64.86 65.21 1ieu h ILE 12 Cb 0.24 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1ieu h ILE 12 CO 0.02 0.00 -0.68 1.56 0.00 0.00 0.00 178.15 179.05 1ieu h GLN 13 N 0.00 0.20 -2.05 2.37 4.20 -0.67 -3.21 115.11 115.95 1ieu h GLN 13 Ca 0.00 -0.16 -0.55 0.00 0.06 0.00 0.00 58.65 58.00 1ieu h GLN 13 Cb 0.61 0.03 -0.18 0.00 0.30 0.00 0.00 27.48 28.24 1ieu h GLN 13 CO 0.00 0.81 0.62 1.17 -0.67 0.00 0.00 178.83 180.76 1ieu n LYS 14 N -3.80 2.65 -1.62 1.46 3.00 -1.00 -4.88 118.16 113.97 1ieu n LYS 14 Ca -0.03 -2.58 0.00 0.00 -0.00 0.00 0.00 58.31 55.70 1ieu n LYS 14 Cb 0.67 -2.20 0.00 0.00 0.00 0.00 0.00 35.03 33.50 1ieu n LYS 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1ieu n HIS 15 N 0.79 -0.13 -2.82 5.64 8.25 -1.22 -4.93 115.22 120.80 1ieu n HIS 15 Ca 0.50 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.85 1ieu n HIS 15 Cb 0.49 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.63 1ieu n HIS 15 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1ieu n LYS 16 N 0.00 -3.12 -3.24 -0.41 4.81 -1.26 -4.96 118.16 109.98 1ieu n LYS 16 Ca 0.00 0.43 -0.44 0.00 -0.87 0.00 0.00 58.31 57.44 1ieu n LYS 16 Cb 0.00 -4.28 -0.00 0.00 0.02 0.00 0.00 35.03 30.77 1ieu n LYS 16 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1ieu n ASP 17 N -0.53 5.75 -2.57 3.14 9.92 -1.26 -4.83 116.55 126.17 1ieu n ASP 17 Ca -0.03 -3.18 -0.04 0.00 -0.53 0.00 0.00 54.79 51.02 1ieu n ASP 17 Cb 0.55 -1.32 -0.03 0.00 -0.64 0.00 0.00 41.12 39.68 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 2.16 -2.94 -1.48 -2.24 2.88 -1.26 -4.86 113.62 105.89 1ieu n SER 18 Ca 0.25 1.30 0.18 0.00 -1.33 0.00 0.00 58.87 59.27 1ieu n SER 18 Cb 0.37 -5.04 -0.08 0.00 -0.75 0.00 0.00 64.21 58.70 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 1.27 -3.30 -2.73 -1.46 4.81 -1.26 -4.97 118.16 110.51 1ieu n LYS 19 Ca -0.26 2.58 -0.02 0.00 -0.87 0.00 0.00 58.31 59.74 1ieu n LYS 19 Cb 0.41 -3.90 0.00 0.00 0.02 0.00 0.00 35.03 31.56 1ieu n LYS 19 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1ieu n SER 20 N -4.38 -7.99 -3.41 3.14 7.64 -1.26 -4.76 113.62 102.61 1ieu n SER 20 Ca -0.07 1.25 -0.07 0.00 1.01 0.00 0.00 58.87 61.00 1ieu n SER 20 Cb 0.70 -5.34 0.00 0.00 -1.01 0.00 0.00 64.21 58.56 1ieu n SER 20 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1ieu s THR 21 N -1.82 0.00 0.20 0.44 -1.32 -1.26 -4.05 115.64 107.82 1ieu s THR 21 Ca 0.05 -0.88 0.07 0.00 -1.21 0.00 0.00 61.69 59.72 1ieu s THR 21 Cb -0.01 -2.47 -0.05 0.00 -1.51 0.00 0.00 72.50 68.46 1ieu s THR 21 CO 0.78 0.00 -0.14 0.26 -2.21 0.00 0.00 174.62 173.31 1ieu s TRP 22 N -2.93 1.66 0.28 9.09 0.51 -1.26 -3.20 118.94 123.09 1ieu s TRP 22 Ca 0.15 -0.59 0.08 0.00 -2.12 0.00 0.00 56.10 53.62 1ieu s TRP 22 Cb -0.04 -0.78 -0.06 0.00 -0.81 0.00 0.00 33.47 31.78 1ieu s TRP 22 CO 0.08 0.33 -0.10 0.08 -0.51 0.00 0.00 176.95 176.82 1ieu s VAL 23 N -2.96 1.89 -0.12 4.03 1.01 -1.07 -4.87 120.40 118.32 1ieu s VAL 23 Ca 0.21 -2.19 0.00 0.00 0.00 0.00 0.00 61.98 60.00 1ieu s VAL 23 Cb -0.01 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 1ieu s VAL 23 CO 0.06 -0.34 -0.12 -0.63 0.00 0.00 0.00 175.10 174.07 1ieu s ILE 24 N -2.86 3.17 -0.60 2.22 1.09 -1.26 -1.40 121.20 121.56 1ieu s ILE 24 Ca 0.29 -0.63 0.04 0.00 -1.10 0.00 0.00 60.65 59.26 1ieu s ILE 24 Cb 0.02 -2.32 0.35 0.00 -1.06 0.00 0.00 42.46 39.44 1ieu s ILE 24 CO 0.12 0.53 1.06 0.18 -0.10 0.00 0.00 174.94 176.74 1ieu n LEU 25 N 3.28 4.81 -2.43 2.97 7.99 -1.14 -4.93 117.00 127.55 1ieu n LEU 25 Ca -0.18 -5.59 -0.01 0.00 -0.01 0.00 0.00 56.01 50.22 1ieu n LEU 25 Cb 0.53 -0.61 0.00 0.00 -0.11 0.00 0.00 43.42 43.23 1ieu n LEU 25 CO 0.30 2.31 -0.31 1.41 -1.51 0.00 0.00 177.39 179.59 1ieu n HIS 26 N -0.27 -2.97 -3.33 -1.77 8.25 -1.26 -4.34 115.22 109.53 1ieu n HIS 26 Ca 0.34 1.30 -0.18 0.00 -0.26 0.00 0.00 57.72 58.92 1ieu n HIS 26 Cb 0.41 -3.42 0.07 0.00 1.12 0.00 0.00 29.99 28.18 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 0.40 -2.18 -3.59 4.41 -0.00 -1.26 -5.00 115.22 107.99 1ieu n HIS 27 Ca 0.01 0.84 -0.17 0.00 -0.00 0.00 0.00 57.72 58.41 1ieu n HIS 27 Cb 0.05 -4.56 -0.07 0.00 -0.00 0.00 0.00 29.99 25.41 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 -5.65 0.94 -0.04 1.57 1.02 -1.26 -3.60 119.74 112.72 1ieu s LYS 28 Ca 0.25 0.16 0.06 0.00 0.02 0.00 0.00 55.97 56.47 1ieu s LYS 28 Cb -0.11 0.44 -0.02 0.00 -0.52 0.00 0.00 37.83 37.61 1ieu s LYS 28 CO 0.63 -0.28 -0.22 0.08 -0.92 0.00 0.00 175.35 174.64 1ieu s VAL 29 N -1.16 2.41 -0.34 3.17 1.01 -0.96 -2.89 120.40 121.64 1ieu s VAL 29 Ca -0.11 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 60.92 1ieu s VAL 29 Cb -0.02 -1.88 0.10 0.00 0.00 0.00 0.00 36.38 34.58 1ieu s VAL 29 CO 0.08 0.58 0.08 -0.31 0.00 0.00 0.00 175.10 175.53 1ieu s TYR 30 N -0.57 2.95 -0.76 5.22 1.51 -0.49 -2.68 117.35 122.52 1ieu s TYR 30 Ca 0.08 -2.54 -0.25 0.00 -1.01 0.00 0.00 57.07 53.35 1ieu s TYR 30 Cb -0.11 -2.46 0.04 0.00 -0.11 0.00 0.00 41.96 39.33 1ieu s TYR 30 CO 0.00 -0.91 1.24 0.34 -1.11 0.00 0.00 175.55 175.11 1ieu s ASP 31 N 1.10 6.22 -0.55 2.29 -1.08 -0.90 -2.58 116.67 121.17 1ieu s ASP 31 Ca 0.11 -0.72 0.06 0.00 -0.52 0.00 0.00 52.55 51.48 1ieu s ASP 31 Cb -0.19 -2.53 0.33 0.00 -1.46 0.00 0.00 42.92 39.07 1ieu s ASP 31 CO -0.14 -1.70 0.87 0.18 0.52 0.00 0.00 175.17 174.90 1ieu n LEU 32 N 8.92 3.66 0.22 -1.34 4.32 -1.19 -4.65 117.00 126.94 1ieu n LEU 32 Ca 0.06 -5.51 0.07 0.00 -0.02 0.00 0.00 56.01 50.60 1ieu n LEU 32 Cb 0.49 -0.33 0.49 0.00 -1.62 0.00 0.00 43.42 42.44 1ieu n LEU 32 CO 0.68 2.30 0.81 0.71 -1.22 0.00 0.00 177.39 180.67 1ieu h THR 33 N 2.65 0.92 0.00 -5.08 1.35 -1.90 -2.58 112.91 108.27 1ieu h THR 33 Ca 0.13 -1.03 -0.06 0.00 -0.55 0.00 0.00 66.41 64.90 1ieu h THR 33 Cb 0.61 1.61 -0.01 0.00 -1.73 0.00 0.00 68.15 68.63 1ieu h THR 33 CO 0.76 0.27 -1.12 0.11 -0.25 0.00 0.00 175.52 175.28 1ieu h LYS 34 N 0.00 0.00 0.00 4.72 6.56 -1.96 -3.32 116.57 122.56 1ieu h LYS 34 Ca -0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.56 1ieu h LYS 34 Cb 0.58 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.24 1ieu h LYS 34 CO 0.04 0.10 -0.11 0.35 -2.06 0.00 0.00 179.45 177.77 1ieu h PHE 35 N 0.00 0.00 -0.30 -1.35 3.57 -1.83 0.15 116.94 117.18 1ieu h PHE 35 Ca -0.05 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.48 1ieu h PHE 35 Cb 1.20 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.92 1ieu h PHE 35 CO 0.00 0.11 0.20 -0.07 -2.23 0.00 0.00 178.31 176.32 1ieu h LEU 36 N 0.00 0.24 -1.31 0.59 3.38 -1.66 -2.25 115.31 114.30 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 0.33 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1ieu h LEU 36 CO 0.01 0.16 0.00 -0.62 0.09 0.00 0.00 178.44 178.09 1ieu n GLU 37 N -4.49 0.00 0.08 1.13 1.02 -0.75 -4.20 120.64 113.43 1ieu n GLU 37 Ca 0.02 -0.92 -0.11 0.00 -0.02 0.00 0.00 57.16 56.14 1ieu n GLU 37 Cb 0.17 -1.13 -0.12 0.00 -0.02 0.00 0.00 31.44 30.34 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 1.27 0.13 -0.91 3.49 4.57 -0.12 -3.40 114.58 119.62 1ieu h GLU 38 Ca 0.00 -0.22 -0.37 0.00 -1.18 0.00 0.00 59.36 57.59 1ieu h GLU 38 Cb 0.28 0.08 -0.26 0.00 -0.16 0.00 0.00 28.75 28.70 1ieu h GLU 38 CO 0.00 1.10 -0.78 0.72 -1.18 0.00 0.00 179.01 178.87 1ieu n HIS 39 N -3.45 -1.88 -2.73 0.92 8.25 -1.15 -5.05 115.22 110.13 1ieu n HIS 39 Ca -0.04 -2.65 -0.43 0.00 -0.26 0.00 0.00 57.72 54.34 1ieu n HIS 39 Cb 0.97 0.70 -0.03 0.00 1.12 0.00 0.00 29.99 32.74 1ieu n HIS 39 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1ieu s PRO 40 N -0.34 3.51 0.00 -0.41 0.04 -1.26 -4.77 135.00 131.77 1ieu s PRO 40 Ca 0.33 0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.52 1ieu s PRO 40 Cb 0.23 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.80 1ieu s PRO 40 CO -0.16 -1.41 0.00 0.41 0.04 0.00 0.00 177.00 175.88 1ieu n GLY 41 N 4.99 0.47 0.00 0.56 0.00 -1.26 -5.02 105.19 104.93 1ieu n GLY 41 Ca 0.07 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.83 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 2.20 1.26 0.86 -0.02 0.00 -1.26 -5.09 105.19 103.14 1ieu n GLY 42 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ieu n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ieu n GLU 43 N 0.00 0.12 -1.71 1.61 1.02 -1.26 -5.03 120.64 115.39 1ieu n GLU 43 Ca 0.00 -0.29 -0.33 0.00 -0.02 0.00 0.00 57.16 56.52 1ieu n GLU 43 Cb 0.00 0.41 -0.04 0.00 -0.02 0.00 0.00 31.44 31.79 1ieu n GLU 43 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ieu n GLU 44 N -0.17 3.42 -0.10 3.49 1.02 -1.26 -4.76 120.64 122.27 1ieu n GLU 44 Ca -0.00 -2.83 -0.11 0.00 -0.02 0.00 0.00 57.16 54.19 1ieu n GLU 44 Cb 0.13 -2.37 0.11 0.00 -0.02 0.00 0.00 31.44 29.29 1ieu n GLU 44 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1ieu n VAL 45 N 1.32 0.00 0.11 2.62 0.24 -1.26 -4.16 118.33 117.21 1ieu n VAL 45 Ca 0.55 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.92 1ieu n VAL 45 Cb 0.42 -0.37 0.53 0.00 -1.47 0.00 0.00 33.84 32.95 1ieu n VAL 45 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1ieu h LEU 46 N 0.00 0.24 0.42 1.34 6.46 -1.93 -2.71 115.31 119.13 1ieu h LEU 46 Ca -0.15 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.59 1ieu h LEU 46 Cb 0.50 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.37 1ieu h LEU 46 CO 0.09 0.18 -0.20 -0.09 -0.62 0.00 0.00 178.44 177.79 1ieu h ARG 47 N 0.29 -0.55 -5.79 1.25 2.43 -1.92 -3.36 114.38 106.74 1ieu h ARG 47 Ca 0.09 0.04 -0.35 0.00 -0.81 0.00 0.00 59.98 58.95 1ieu h ARG 47 Cb 0.01 0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.64 1ieu h ARG 47 CO -0.02 -0.28 0.88 -2.00 -1.51 0.00 0.00 179.97 177.04 1ieu s GLU 48 N -5.39 2.62 -0.28 0.20 2.12 -1.02 -4.93 118.70 112.02 1ieu s GLU 48 Ca -0.15 -0.16 -0.08 0.00 0.36 0.00 0.00 54.97 54.94 1ieu s GLU 48 Cb 0.03 -4.94 -0.01 0.00 0.26 0.00 0.00 34.13 29.46 1ieu s GLU 48 CO 0.58 -3.20 0.10 -1.14 -0.54 0.00 0.00 175.26 171.06 1ieu s GLN 49 N 6.92 3.45 0.17 4.30 2.00 -1.26 -4.50 119.66 130.73 1ieu s GLN 49 Ca 0.68 -0.62 0.00 0.00 -2.00 0.00 0.00 55.36 53.42 1ieu s GLN 49 Cb -0.07 -3.41 0.00 0.00 0.80 0.00 0.00 33.01 30.33 1ieu s GLN 49 CO 0.03 -0.31 0.00 0.00 -0.50 0.00 0.00 175.29 174.51 1ieu n ALA 50 N 4.93 0.00 0.00 1.58 0.00 -1.26 -5.16 120.51 120.60 1ieu n ALA 50 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1ieu n ALA 50 Cb 0.50 0.00 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 -1.26 0.77 0.00 0.00 0.00 -1.26 -5.00 105.19 98.45 1ieu n GLY 51 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.33 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 1.33 1.96 -0.02 0.00 -1.26 -5.01 105.19 102.19 1ieu n GLY 52 Ca 0.00 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 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 0.03 1.64 -0.03 1.61 2.03 -1.26 -5.03 116.55 115.54 1ieu n ASP 53 Ca 0.00 -1.91 -0.11 0.00 0.52 0.00 0.00 54.79 53.29 1ieu n ASP 53 Cb 0.00 -0.08 -0.06 0.00 -0.72 0.00 0.00 41.12 40.26 1ieu n ASP 53 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ieu h ALA 54 N 0.59 0.18 -2.51 -1.67 0.00 -2.00 -3.43 119.26 110.41 1ieu h ALA 54 Ca -0.17 -0.10 -0.53 0.00 0.00 0.00 0.00 54.91 54.11 1ieu h ALA 54 Cb 0.65 -0.05 0.16 0.00 0.00 0.00 0.00 17.79 18.54 1ieu h ALA 54 CO 0.25 -0.23 0.34 0.95 0.00 0.00 0.00 179.25 180.56 1ieu s THR 55 N -5.53 2.44 0.27 0.00 -4.23 -1.26 -4.91 115.64 102.43 1ieu s THR 55 Ca -0.14 0.19 -0.02 0.00 -1.18 0.00 0.00 61.69 60.54 1ieu s THR 55 Cb 0.06 -2.59 0.16 0.00 1.34 0.00 0.00 72.50 71.47 1ieu s THR 55 CO 0.70 -0.15 1.83 -0.33 -0.54 0.00 0.00 174.62 176.12 1ieu h GLU 56 N -0.80 0.88 0.00 3.99 5.08 -1.92 -3.44 114.58 118.38 1ieu h GLU 56 Ca -0.46 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 57.73 1ieu h GLU 56 Cb 1.28 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1ieu h GLU 56 CO 0.48 0.77 0.00 0.27 -1.00 0.00 0.00 179.01 179.53 1ieu n ASN 57 N -4.28 0.00 -4.70 1.42 0.23 -1.26 -4.02 115.26 102.66 1ieu n ASN 57 Ca 0.04 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.67 1ieu n ASN 57 Cb 0.21 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.88 1ieu n ASN 57 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 1ieu s PHE 58 N -0.93 2.42 0.36 -2.53 0.08 -1.26 -4.43 117.98 111.69 1ieu s PHE 58 Ca 0.00 0.20 -0.06 0.00 0.12 0.00 0.00 56.93 57.19 1ieu s PHE 58 Cb 0.00 -4.08 0.08 0.00 -0.57 0.00 0.00 43.02 38.46 1ieu s PHE 58 CO 0.00 -4.32 0.44 0.39 -0.10 0.00 0.00 175.22 171.63 1ieu n GLU 59 N 5.26 -0.73 -0.08 0.44 1.02 -1.26 -4.85 120.64 120.44 1ieu n GLU 59 Ca 0.16 -0.69 -0.08 0.00 -0.02 0.00 0.00 57.16 56.54 1ieu n GLU 59 Cb 0.39 -0.49 -0.14 0.00 -0.02 0.00 0.00 31.44 31.17 1ieu n GLU 59 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1ieu n ASP 60 N -3.37 0.70 -5.01 1.62 -0.08 -1.26 -4.98 116.55 104.16 1ieu n ASP 60 Ca 0.06 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.16 1ieu n ASP 60 Cb 0.20 0.96 0.01 0.00 2.34 0.00 0.00 41.12 44.63 1ieu n ASP 60 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1ieu s VAL 61 N -2.45 2.95 -0.68 5.18 0.11 -1.26 -4.06 120.40 120.20 1ieu s VAL 61 Ca -0.09 -1.01 0.00 0.00 -2.93 0.00 0.00 61.98 57.96 1ieu s VAL 61 Cb 0.05 -2.96 0.00 0.00 -1.53 0.00 0.00 36.38 31.94 1ieu s VAL 61 CO 0.72 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 173.10 1ieu n GLY 62 N -1.86 -0.82 3.48 6.54 0.00 -1.26 -4.84 105.19 106.42 1ieu n GLY 62 Ca 0.08 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 1ieu n GLY 62 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1ieu s HIS 63 N -4.00 3.23 0.00 1.61 -3.43 -1.26 -5.00 115.29 106.44 1ieu s HIS 63 Ca 0.00 -0.47 0.00 0.00 -0.80 0.00 0.00 55.06 53.79 1ieu s HIS 63 Cb 0.00 -2.49 0.00 0.00 -1.43 0.00 0.00 32.58 28.66 1ieu s HIS 63 CO 0.00 -0.48 0.00 0.45 -2.00 0.00 0.00 174.74 172.71 1ieu n SER 64 N 5.09 0.00 0.00 7.38 2.88 -1.26 -4.86 113.62 122.85 1ieu n SER 64 Ca -0.12 -0.60 0.00 0.00 -1.33 0.00 0.00 58.87 56.82 1ieu n SER 64 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1ieu n SER 64 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1ieu n THR 65 N 0.00 0.00 -0.09 2.46 5.66 -1.26 -4.97 114.28 116.07 1ieu n THR 65 Ca 0.00 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.77 1ieu n THR 65 Cb 0.00 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 68.66 1ieu n THR 65 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1ieu n ASP 66 N -1.59 1.98 -1.77 1.09 9.92 -1.26 -4.98 116.55 119.95 1ieu n ASP 66 Ca 0.00 0.20 0.00 0.00 -0.53 0.00 0.00 54.79 54.46 1ieu n ASP 66 Cb 0.00 -0.76 0.00 0.00 -0.64 0.00 0.00 41.12 39.72 1ieu n ASP 66 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ieu n ALA 67 N -3.49 0.00 -3.71 2.24 0.00 -1.26 -5.11 120.51 109.17 1ieu n ALA 67 Ca -0.42 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 52.88 1ieu n ALA 67 Cb 0.91 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 20.21 1ieu n ALA 67 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ieu s ARG 68 N -0.67 0.08 0.46 0.00 0.52 -1.26 -4.94 118.95 113.15 1ieu s ARG 68 Ca 0.00 0.47 0.00 0.00 -0.52 0.00 0.00 55.73 55.68 1ieu s ARG 68 Cb 0.00 -0.20 0.00 0.00 0.52 0.00 0.00 34.95 35.27 1ieu s ARG 68 CO 0.00 -0.22 0.00 -1.91 0.02 0.00 0.00 175.30 173.19 1ieu n GLU 69 N 4.65 -3.80 -1.62 3.54 4.07 -1.26 -4.56 120.64 121.67 1ieu n GLU 69 Ca -0.18 2.86 -0.30 0.00 -0.06 0.00 0.00 57.16 59.48 1ieu n GLU 69 Cb 0.51 -3.30 -0.05 0.00 -0.06 0.00 0.00 31.44 28.54 1ieu n GLU 69 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1ieu n LEU 70 N -1.29 6.87 -0.13 4.31 7.94 -1.26 -4.39 117.00 129.05 1ieu n LEU 70 Ca 0.00 -4.27 -0.21 0.00 -1.11 0.00 0.00 56.01 50.42 1ieu n LEU 70 Cb 0.10 -1.27 -0.11 0.00 0.53 0.00 0.00 43.42 42.67 1ieu n LEU 70 CO 0.00 1.82 -1.36 -1.54 -1.11 0.00 0.00 177.39 175.21 1ieu n SER 71 N 1.14 2.00 0.00 1.96 3.41 -1.26 -4.37 113.62 116.49 1ieu n SER 71 Ca 0.52 0.01 0.10 0.00 -0.26 0.00 0.00 58.87 59.24 1ieu n SER 71 Cb 0.48 -0.52 0.54 0.00 -0.26 0.00 0.00 64.21 64.45 1ieu n SER 71 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ieu n LYS 72 N -3.54 0.43 -0.13 4.33 5.02 -1.26 -2.80 118.16 120.21 1ieu n LYS 72 Ca -0.47 0.06 0.12 0.00 -2.02 0.00 0.00 58.31 56.00 1ieu n LYS 72 Cb 0.94 -1.50 0.18 0.00 -0.02 0.00 0.00 35.03 34.64 1ieu n LYS 72 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1ieu n THR 73 N -1.16 0.35 -2.62 -0.18 -2.24 -1.26 -4.45 114.28 102.73 1ieu n THR 73 Ca 0.12 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 1ieu n THR 73 Cb 0.12 1.15 0.04 0.00 -2.10 0.00 0.00 70.33 69.53 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 1.47 0.24 -3.94 4.78 4.02 -1.12 -5.11 117.16 117.51 1ieu n TYR 74 Ca 0.18 -1.38 -0.31 0.00 -0.01 0.00 0.00 57.90 56.38 1ieu n TYR 74 Cb 0.61 0.13 -0.04 0.00 -0.02 0.00 0.00 39.34 40.02 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 -1.62 5.27 -0.10 -0.72 1.01 -1.25 -2.12 121.20 121.67 1ieu s ILE 75 Ca 0.24 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.47 1ieu s ILE 75 Cb 0.33 -3.56 -0.07 0.00 0.01 0.00 0.00 42.46 39.17 1ieu s ILE 75 CO -0.09 0.15 -0.07 2.30 0.00 0.00 0.00 174.94 177.22 1ieu n ILE 76 N 0.35 0.56 -1.64 2.92 -5.35 -1.09 -4.76 119.36 110.34 1ieu n ILE 76 Ca -0.06 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 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 2.97 2.39 1.82 3.28 0.00 -1.25 -4.51 105.19 109.88 1ieu n GLY 77 Ca -0.17 -0.47 -0.15 0.00 0.00 0.00 0.00 46.02 45.23 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 1.11 -3.41 1.61 1.02 -1.22 -2.26 120.64 117.50 1ieu n GLU 78 Ca 0.00 -1.86 -0.38 0.00 -0.02 0.00 0.00 57.16 54.90 1ieu n GLU 78 Cb 0.00 0.70 -0.06 0.00 -0.02 0.00 0.00 31.44 32.06 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 4.41 0.35 -4.62 1.98 -1.24 -2.84 118.68 116.72 1ieu s LEU 79 Ca 0.05 0.94 -0.27 0.00 -2.89 0.00 0.00 54.13 51.96 1ieu s LEU 79 Cb 0.00 -2.66 -0.12 0.00 0.66 0.00 0.00 46.19 44.07 1ieu s LEU 79 CO 0.03 0.20 1.10 1.57 -1.89 0.00 0.00 176.35 177.36 1ieu n HIS 80 N 2.48 1.55 0.33 5.38 -0.00 -1.24 -4.84 115.22 118.87 1ieu n HIS 80 Ca -0.11 0.61 0.15 0.00 -0.00 0.00 0.00 57.72 58.37 1ieu n HIS 80 Cb 0.52 -2.29 0.53 0.00 -0.00 0.00 0.00 29.99 28.75 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 2.01 0.00 -0.02 1.57 0.13 -1.96 -3.08 132.00 130.66 1ieu h PRO 81 Ca -0.43 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1ieu h PRO 81 Cb 1.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 1ieu h PRO 81 CO 0.60 0.00 0.02 0.22 -0.23 0.00 0.00 178.00 178.61 1ieu h ASP 82 N 0.00 0.00 0.79 1.44 1.82 -1.95 -1.19 116.42 117.33 1ieu h ASP 82 Ca 0.00 0.00 -0.24 0.00 -0.39 0.00 0.00 57.03 56.40 1ieu h ASP 82 Cb 0.58 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.55 1ieu h ASP 82 CO 0.00 0.00 -1.29 0.44 -1.61 0.00 0.00 179.24 176.78 1ieu h ASP 83 N 0.00 0.00 -0.52 2.28 3.32 -1.91 -3.42 116.42 116.17 1ieu h ASP 83 Ca 0.01 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1ieu h ASP 83 Cb 0.04 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1ieu h ASP 83 CO -0.00 1.00 0.00 -1.14 -1.72 0.00 0.00 179.24 177.38 1ieu n ARG 84 N -3.23 -0.27 -1.79 3.56 0.63 -0.45 -4.80 116.66 110.32 1ieu n ARG 84 Ca -0.07 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.44 1ieu n ARG 84 Cb 0.99 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.87 1ieu n ARG 84 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1ieu s SER 85 N -1.88 6.52 0.04 6.15 0.01 -1.26 -4.43 113.70 118.85 1ieu s SER 85 Ca 0.00 2.53 0.00 0.00 1.31 0.00 0.00 55.95 59.79 1ieu s SER 85 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1ieu s SER 85 CO 0.00 -1.01 0.00 1.17 0.41 0.00 0.00 173.24 173.81 1ieu n LYS 86 N 7.32 0.00 0.09 12.44 0.00 -1.26 -4.97 118.16 131.78 1ieu n LYS 86 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 58.31 58.27 1ieu n LYS 86 Cb 0.42 0.00 -0.15 0.00 0.00 0.00 0.00 35.03 35.29 1ieu n LYS 86 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1ieu h ILE 87 N 0.00 1.26 -3.29 3.15 5.03 -1.81 -3.46 117.51 118.39 1ieu h ILE 87 Ca 0.00 -2.58 -0.48 0.00 -0.12 0.00 0.00 64.86 61.67 1ieu h ILE 87 Cb 0.00 3.00 0.03 0.00 -3.03 0.00 0.00 36.82 36.82 1ieu h ILE 87 CO 0.00 0.78 0.00 0.00 -0.68 0.00 0.00 178.15 178.25 1ieu s ALA 88 N -2.53 3.51 -0.12 1.87 0.00 -1.26 -5.03 121.76 118.20 1ieu s ALA 88 Ca -0.13 -0.66 -0.20 0.00 0.00 0.00 0.00 51.96 50.97 1ieu s ALA 88 Cb 0.03 -2.41 -0.18 0.00 0.00 0.00 0.00 23.12 20.56 1ieu s ALA 88 CO 0.88 -0.25 0.57 0.87 0.00 0.00 0.00 175.76 177.82 1ieu h LYS 89 N 0.40 -0.01 -6.40 0.00 1.57 -1.99 -3.45 116.57 106.69 1ieu h LYS 89 Ca -0.48 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.76 1ieu h LYS 89 Cb 1.21 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 1ieu h LYS 89 CO 0.61 0.66 0.37 -1.25 -0.57 0.00 0.00 179.45 179.27 1ieu s PRO 90 N -2.14 4.55 -0.30 3.15 0.04 -1.26 -4.92 135.00 134.12 1ieu s PRO 90 Ca -0.13 1.41 -0.17 0.00 0.04 0.00 0.00 61.00 62.15 1ieu s PRO 90 Cb -0.02 -3.46 0.18 0.00 0.04 0.00 0.00 34.50 31.24 1ieu s PRO 90 CO 0.48 -0.06 1.19 0.45 0.04 0.00 0.00 177.00 179.10 1ieu s SER 91 N 1.01 -0.21 0.58 6.66 0.15 -1.26 -4.92 113.70 115.70 1ieu s SER 91 Ca 0.52 0.22 0.00 0.00 0.70 0.00 0.00 55.95 57.39 1ieu s SER 91 Cb -0.21 1.21 0.00 0.00 -1.71 0.00 0.00 66.02 65.32 1ieu s SER 91 CO 0.28 -0.04 0.00 1.21 1.20 0.00 0.00 173.24 175.88 1ieu n GLU 92 N 5.01 -3.27 -2.64 5.44 4.07 -1.26 -4.66 120.64 123.33 1ieu n GLU 92 Ca -0.08 2.61 -0.30 0.00 -0.06 0.00 0.00 57.16 59.34 1ieu n GLU 92 Cb 0.55 -3.84 -0.02 0.00 -0.06 0.00 0.00 31.44 28.06 1ieu n GLU 92 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 1ieu s THR 93 N -3.99 4.80 -2.00 6.31 -4.23 -1.26 -5.10 115.64 110.18 1ieu s THR 93 Ca 0.00 0.55 0.32 0.00 -1.18 0.00 0.00 61.69 61.38 1ieu s THR 93 Cb 0.00 -3.79 0.91 0.00 1.34 0.00 0.00 72.50 70.95 1ieu s THR 93 CO 0.00 -0.71 2.22 0.00 -0.54 0.00 0.00 174.62 175.59