#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 0.61 0.01 -1.24 0.00 -1.26 -5.17 119.74 112.69 1ieu s LYS 2 Ca 0.00 -0.37 0.05 0.00 0.00 0.00 0.00 55.97 55.65 1ieu s LYS 2 Cb 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 37.83 38.00 1ieu s LYS 2 CO 0.00 -0.28 -0.16 0.16 0.00 0.00 0.00 175.35 175.07 1ieu s ASP 3 N -3.36 1.90 -0.29 0.03 -4.77 -1.26 -5.12 116.67 103.79 1ieu s ASP 3 Ca 0.21 -0.38 -0.07 0.00 -3.30 0.00 0.00 52.55 49.01 1ieu s ASP 3 Cb 0.01 -0.17 0.00 0.00 -1.09 0.00 0.00 42.92 41.67 1ieu s ASP 3 CO -0.01 0.14 0.09 -0.69 0.70 0.00 0.00 175.17 175.40 1ieu s VAL 4 N -0.59 4.12 -0.32 2.11 1.01 -1.26 -4.87 120.40 120.60 1ieu s VAL 4 Ca 0.05 -0.58 -0.15 0.00 0.00 0.00 0.00 61.98 61.30 1ieu s VAL 4 Cb -0.07 -3.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 1ieu s VAL 4 CO 0.00 0.11 0.35 -0.54 0.00 0.00 0.00 175.10 175.02 1ieu s LYS 5 N 1.53 3.70 0.34 2.72 1.02 -1.26 -4.72 119.74 123.08 1ieu s LYS 5 Ca 0.03 -0.31 -0.25 0.00 0.02 0.00 0.00 55.97 55.46 1ieu s LYS 5 Cb -0.17 -3.76 -0.10 0.00 -0.52 0.00 0.00 37.83 33.29 1ieu s LYS 5 CO 0.03 -0.43 0.97 0.71 -0.92 0.00 0.00 175.35 175.70 1ieu s TYR 6 N 2.00 3.59 -0.07 3.18 2.02 -1.26 -2.66 117.35 124.15 1ieu s TYR 6 Ca 0.12 1.74 0.02 0.00 -0.37 0.00 0.00 57.07 58.58 1ieu s TYR 6 Cb -0.16 -2.96 0.01 0.00 -0.40 0.00 0.00 41.96 38.45 1ieu s TYR 6 CO 0.11 0.03 -0.12 0.71 -1.57 0.00 0.00 175.55 174.71 1ieu s TYR 7 N -1.67 1.51 0.25 2.71 2.02 -1.04 -4.83 117.35 116.31 1ieu s TYR 7 Ca 0.52 -0.58 -0.31 0.00 -0.37 0.00 0.00 57.07 56.33 1ieu s TYR 7 Cb -0.19 -1.11 -0.12 0.00 -0.40 0.00 0.00 41.96 40.14 1ieu s TYR 7 CO 0.24 -0.31 1.65 0.25 -1.57 0.00 0.00 175.55 175.81 1ieu n THR 8 N 3.92 0.55 0.32 -0.71 -2.24 -1.26 -3.18 114.28 111.67 1ieu n THR 8 Ca -0.22 -0.14 0.20 0.00 -2.27 0.00 0.00 64.05 61.63 1ieu n THR 8 Cb 0.52 -1.97 1.09 0.00 -2.10 0.00 0.00 70.33 67.87 1ieu n THR 8 CO 0.00 0.00 0.00 0.17 -0.57 0.00 0.00 175.07 174.67 1ieu h LEU 9 N 5.69 0.00 -0.48 3.22 8.10 -1.95 -1.19 115.31 128.70 1ieu h LEU 9 Ca -0.45 0.00 -0.11 0.00 0.11 0.00 0.00 57.88 57.43 1ieu h LEU 9 Cb 1.21 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.42 1ieu h LEU 9 CO 0.87 0.00 -0.12 -0.33 -4.11 0.00 0.00 178.44 174.75 1ieu h GLU 10 N 0.00 0.93 -0.10 0.17 4.39 -2.00 -1.27 114.58 116.70 1ieu h GLU 10 Ca 0.00 -0.36 -0.09 0.00 0.34 0.00 0.00 59.36 59.25 1ieu h GLU 10 Cb 0.09 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1ieu h GLU 10 CO 0.00 1.01 -0.36 1.49 -1.16 0.00 0.00 179.01 180.00 1ieu h GLU 11 N 0.78 0.21 0.00 2.33 4.57 -1.58 -2.37 114.58 118.52 1ieu h GLU 11 Ca 0.12 -0.09 -0.09 0.00 -1.18 0.00 0.00 59.36 58.13 1ieu h GLU 11 Cb 0.67 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.24 1ieu h GLU 11 CO 0.05 0.55 -0.41 0.82 -1.18 0.00 0.00 179.01 178.83 1ieu h ILE 12 N 0.18 0.89 0.00 2.32 2.04 -1.36 -2.92 117.51 118.66 1ieu h ILE 12 Ca 0.02 -1.69 -0.01 0.00 1.00 0.00 0.00 64.86 64.18 1ieu h ILE 12 Cb 0.72 2.04 -0.00 0.00 -0.74 0.00 0.00 36.82 38.84 1ieu h ILE 12 CO 0.05 0.40 -0.06 -0.61 0.00 0.00 0.00 178.15 177.93 1ieu h GLN 13 N 0.00 0.00 -1.98 2.37 4.15 -0.68 -2.72 115.11 116.25 1ieu h GLN 13 Ca -0.00 0.00 -0.50 0.00 0.77 0.00 0.00 58.65 58.92 1ieu h GLN 13 Cb 1.01 0.00 -0.18 0.00 0.21 0.00 0.00 27.48 28.52 1ieu h GLN 13 CO 0.05 0.06 0.40 1.63 -1.93 0.00 0.00 178.83 179.05 1ieu n LYS 14 N -3.84 2.39 -1.96 1.69 5.02 -1.10 -4.87 118.16 115.48 1ieu n LYS 14 Ca -0.02 -2.34 -0.01 0.00 -2.02 0.00 0.00 58.31 53.91 1ieu n LYS 14 Cb 0.16 -2.13 -0.00 0.00 -0.02 0.00 0.00 35.03 33.04 1ieu n LYS 14 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1ieu n HIS 15 N 0.83 -0.18 -3.11 2.13 8.25 -1.03 -4.94 115.22 117.17 1ieu n HIS 15 Ca 0.48 -0.11 -0.14 0.00 -0.26 0.00 0.00 57.72 57.69 1ieu n HIS 15 Cb 0.55 0.02 0.05 0.00 1.12 0.00 0.00 29.99 31.73 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 -0.03 -4.86 -1.66 -0.41 4.81 -1.26 -4.90 118.16 109.85 1ieu n LYS 16 Ca 0.00 0.54 -0.31 0.00 -0.87 0.00 0.00 58.31 57.67 1ieu n LYS 16 Cb 0.03 -4.67 -0.04 0.00 0.02 0.00 0.00 35.03 30.36 1ieu n LYS 16 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1ieu n ASP 17 N -1.71 6.94 0.00 3.14 2.03 -1.26 -4.65 116.55 121.03 1ieu n ASP 17 Ca -0.06 -3.22 0.00 0.00 0.52 0.00 0.00 54.79 52.04 1ieu n ASP 17 Cb 0.56 -1.26 0.00 0.00 -0.72 0.00 0.00 41.12 39.70 1ieu n ASP 17 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1ieu n SER 18 N 1.04 -3.02 0.00 1.67 2.88 -1.26 -4.90 113.62 110.02 1ieu n SER 18 Ca 0.53 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 1ieu n SER 18 Cb 0.46 -1.67 0.00 0.00 -0.75 0.00 0.00 64.21 62.24 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 -1.40 0.00 -2.92 -1.46 4.81 -1.26 -5.10 118.16 110.83 1ieu n LYS 19 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 1ieu n LYS 19 Cb 0.16 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.20 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 0.00 -6.07 -3.45 3.14 7.64 -1.26 -4.52 113.62 109.10 1ieu n SER 20 Ca 0.00 1.00 -0.09 0.00 1.01 0.00 0.00 58.87 60.78 1ieu n SER 20 Cb 0.00 -3.38 -0.02 0.00 -1.01 0.00 0.00 64.21 59.80 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 -0.94 0.00 0.28 0.44 -1.32 -1.26 -3.99 115.64 108.85 1ieu s THR 21 Ca -0.05 -1.20 0.07 0.00 -1.21 0.00 0.00 61.69 59.30 1ieu s THR 21 Cb 0.00 -2.47 -0.06 0.00 -1.51 0.00 0.00 72.50 68.47 1ieu s THR 21 CO 0.38 0.00 -0.08 0.26 -2.21 0.00 0.00 174.62 172.97 1ieu s TRP 22 N -3.21 1.99 0.27 9.09 0.51 -1.26 -3.20 118.94 123.14 1ieu s TRP 22 Ca 0.19 -0.64 0.09 0.00 -2.12 0.00 0.00 56.10 53.62 1ieu s TRP 22 Cb -0.04 -1.09 -0.05 0.00 -0.81 0.00 0.00 33.47 31.48 1ieu s TRP 22 CO 0.11 0.35 -0.12 0.08 -0.51 0.00 0.00 176.95 176.87 1ieu s VAL 23 N -2.93 1.98 -0.13 4.03 1.01 -1.14 -4.87 120.40 118.34 1ieu s VAL 23 Ca 0.29 -2.23 -0.04 0.00 0.00 0.00 0.00 61.98 60.00 1ieu s VAL 23 Cb 0.02 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 1ieu s VAL 23 CO 0.12 -0.38 0.02 -0.63 0.00 0.00 0.00 175.10 174.23 1ieu s ILE 24 N -2.81 4.41 -0.48 2.22 1.01 -1.26 -1.89 121.20 122.41 1ieu s ILE 24 Ca 0.28 -0.19 0.07 0.00 0.00 0.00 0.00 60.65 60.82 1ieu s ILE 24 Cb 0.00 -2.91 0.25 0.00 0.01 0.00 0.00 42.46 39.80 1ieu s ILE 24 CO 0.12 0.54 0.59 -0.11 0.00 0.00 0.00 174.94 176.08 1ieu n LEU 25 N 2.84 1.39 -2.89 2.97 -0.00 -1.13 -4.87 117.00 115.30 1ieu n LEU 25 Ca -0.18 -4.94 -0.10 0.00 -0.00 0.00 0.00 56.01 50.79 1ieu n LEU 25 Cb 0.53 0.18 0.01 0.00 -0.00 0.00 0.00 43.42 44.14 1ieu n LEU 25 CO 0.31 2.05 0.03 1.41 -0.00 0.00 0.00 177.39 181.20 1ieu n HIS 26 N 1.29 -3.45 -2.81 1.96 8.25 -1.26 -3.43 115.22 115.77 1ieu n HIS 26 Ca 0.24 1.39 -0.21 0.00 -0.26 0.00 0.00 57.72 58.88 1ieu n HIS 26 Cb 0.49 -3.95 0.02 0.00 1.12 0.00 0.00 29.99 27.66 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 -0.29 -1.62 -4.29 4.41 -0.00 -1.26 -4.96 115.22 107.20 1ieu n HIS 27 Ca 0.11 0.36 -0.16 0.00 -0.00 0.00 0.00 57.72 58.03 1ieu n HIS 27 Cb 0.47 -4.22 -0.10 0.00 -0.00 0.00 0.00 29.99 26.14 1ieu n HIS 27 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 1ieu s LYS 28 N -5.47 1.18 -0.03 1.57 2.47 -1.22 -2.56 119.74 115.68 1ieu s LYS 28 Ca 0.21 -1.53 -0.01 0.00 -1.56 0.00 0.00 55.97 53.08 1ieu s LYS 28 Cb -0.09 -0.72 0.03 0.00 -1.46 0.00 0.00 37.83 35.59 1ieu s LYS 28 CO 0.26 0.06 0.04 0.08 0.16 0.00 0.00 175.35 175.94 1ieu s VAL 29 N -3.28 -0.04 -0.41 4.02 1.01 -0.41 -2.86 120.40 118.43 1ieu s VAL 29 Ca 0.21 0.30 -0.05 0.00 0.00 0.00 0.00 61.98 62.43 1ieu s VAL 29 Cb 0.03 -0.15 0.10 0.00 0.00 0.00 0.00 36.38 36.36 1ieu s VAL 29 CO 0.04 0.14 0.22 -0.31 0.00 0.00 0.00 175.10 175.19 1ieu s TYR 30 N 1.59 3.48 -0.78 5.22 2.02 -0.79 -1.89 117.35 126.20 1ieu s TYR 30 Ca -0.02 -2.08 -0.25 0.00 -0.37 0.00 0.00 57.07 54.34 1ieu s TYR 30 Cb -0.13 -3.12 0.05 0.00 -0.40 0.00 0.00 41.96 38.36 1ieu s TYR 30 CO -0.03 -0.94 1.23 0.34 -1.57 0.00 0.00 175.55 174.59 1ieu s ASP 31 N 2.00 6.25 -0.60 2.29 -1.08 -0.81 -2.90 116.67 121.82 1ieu s ASP 31 Ca 0.05 -0.83 0.06 0.00 -0.52 0.00 0.00 52.55 51.32 1ieu s ASP 31 Cb -0.23 -2.52 0.28 0.00 -1.46 0.00 0.00 42.92 38.98 1ieu s ASP 31 CO -0.02 -1.66 0.80 0.18 0.52 0.00 0.00 175.17 174.99 1ieu n LEU 32 N 8.78 3.76 0.12 -1.34 4.32 -1.19 -4.61 117.00 126.84 1ieu n LEU 32 Ca 0.08 -5.48 0.11 0.00 -0.02 0.00 0.00 56.01 50.70 1ieu n LEU 32 Cb 0.49 -0.55 0.48 0.00 -1.62 0.00 0.00 43.42 42.22 1ieu n LEU 32 CO 0.68 2.15 0.82 0.35 -1.22 0.00 0.00 177.39 180.17 1ieu n THR 33 N 0.53 0.94 0.12 -5.08 -2.24 -1.26 -2.51 114.28 104.77 1ieu n THR 33 Ca 0.30 0.36 0.05 0.00 -2.27 0.00 0.00 64.05 62.49 1ieu n THR 33 Cb 0.42 -1.29 -0.08 0.00 -2.10 0.00 0.00 70.33 67.28 1ieu n THR 33 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1ieu n LYS 34 N -2.14 1.12 0.25 -0.78 2.85 -1.26 -4.47 118.16 113.72 1ieu n LYS 34 Ca 0.01 -0.07 0.11 0.00 -1.05 0.00 0.00 58.31 57.31 1ieu n LYS 34 Cb 0.17 -1.19 0.63 0.00 -0.65 0.00 0.00 35.03 33.98 1ieu n LYS 34 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 177.40 177.70 1ieu h PHE 35 N 0.00 0.00 -0.00 5.58 3.57 -1.87 -1.41 116.94 122.81 1ieu h PHE 35 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1ieu h PHE 35 Cb 0.44 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 1ieu h PHE 35 CO 0.00 0.17 0.14 1.37 -2.23 0.00 0.00 178.31 177.75 1ieu h LEU 36 N 0.00 0.00 -2.13 0.59 8.10 -1.78 -2.59 115.31 117.51 1ieu h LEU 36 Ca -0.00 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.96 1ieu h LEU 36 Cb 0.48 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 40.64 1ieu h LEU 36 CO 0.02 0.00 -0.57 -0.62 -4.11 0.00 0.00 178.44 173.16 1ieu n GLU 37 N -3.01 0.00 -0.02 0.17 1.02 -0.93 -4.83 120.64 113.04 1ieu n GLU 37 Ca -0.03 -1.13 -0.08 0.00 -0.02 0.00 0.00 57.16 55.91 1ieu n GLU 37 Cb 0.20 -0.42 -0.14 0.00 -0.02 0.00 0.00 31.44 31.07 1ieu n GLU 37 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1ieu n GLU 38 N 0.07 0.63 -3.59 3.49 0.00 -0.58 -4.55 120.64 116.12 1ieu n GLU 38 Ca 0.01 0.27 -0.27 0.00 0.00 0.00 0.00 57.16 57.17 1ieu n GLU 38 Cb 0.76 -1.78 -0.10 0.00 0.00 0.00 0.00 31.44 30.32 1ieu n GLU 38 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1ieu n HIS 39 N -3.01 1.95 -2.71 4.31 8.25 -1.25 -5.06 115.22 117.70 1ieu n HIS 39 Ca -0.17 -3.96 -0.42 0.00 -0.26 0.00 0.00 57.72 52.91 1ieu n HIS 39 Cb 1.03 -0.37 -0.03 0.00 1.12 0.00 0.00 29.99 31.74 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 -1.32 3.19 0.00 -0.41 0.04 -1.26 -3.72 135.00 131.52 1ieu s PRO 40 Ca 0.31 -0.46 0.00 0.00 0.04 0.00 0.00 61.00 60.89 1ieu s PRO 40 Cb 0.05 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 30.41 1ieu s PRO 40 CO -0.13 -1.91 0.00 0.41 0.04 0.00 0.00 177.00 175.40 1ieu n GLY 41 N 5.31 1.22 0.86 0.56 0.00 -1.26 -5.14 105.19 106.74 1ieu n GLY 41 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 1ieu n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ieu n GLY 42 N 0.00 -2.86 0.00 -0.02 0.00 -1.24 -5.02 105.19 96.04 1ieu n GLY 42 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.51 1.27 -1.67 1.61 4.07 -1.26 -4.78 120.64 117.37 1ieu n GLU 43 Ca 0.04 0.00 -0.32 0.00 -0.06 0.00 0.00 57.16 56.82 1ieu n GLU 43 Cb 0.15 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.49 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 3.24 -0.68 5.31 0.00 -1.26 -4.98 120.64 122.27 1ieu n GLU 44 Ca 0.00 -2.75 -0.31 0.00 0.00 0.00 0.00 57.16 54.10 1ieu n GLU 44 Cb 0.00 -2.33 0.17 0.00 0.00 0.00 0.00 31.44 29.28 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 1.23 0.00 -3.56 3.84 0.24 -1.26 -3.70 118.33 115.13 1ieu n VAL 45 Ca 0.54 -0.05 -0.27 0.00 -2.04 0.00 0.00 64.34 62.53 1ieu n VAL 45 Cb 0.44 -0.95 0.05 0.00 -1.47 0.00 0.00 33.84 31.91 1ieu n VAL 45 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 1ieu n LEU 46 N -3.89 -3.65 0.00 1.34 -0.00 -1.26 -4.86 117.00 104.68 1ieu n LEU 46 Ca 0.11 -0.92 0.00 0.00 -0.00 0.00 0.00 56.01 55.20 1ieu n LEU 46 Cb 0.52 -2.62 0.00 0.00 -0.00 0.00 0.00 43.42 41.33 1ieu n LEU 46 CO 0.50 0.34 0.00 -1.14 -0.00 0.00 0.00 177.39 177.09 1ieu n ARG 47 N -3.87 0.00 -2.42 1.96 3.00 -1.24 -5.05 116.66 109.04 1ieu n ARG 47 Ca -0.09 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.34 1ieu n ARG 47 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.06 1ieu n ARG 47 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1ieu n GLU 48 N 0.00 3.95 -3.25 -0.14 2.13 -1.26 -4.77 120.64 117.30 1ieu n GLU 48 Ca 0.00 -3.73 -0.10 0.00 0.66 0.00 0.00 57.16 53.99 1ieu n GLU 48 Cb 0.00 -2.80 -0.05 0.00 0.27 0.00 0.00 31.44 28.86 1ieu n GLU 48 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1ieu s GLN 49 N -0.51 0.77 0.00 5.31 1.11 -1.26 -4.88 119.66 120.19 1ieu s GLN 49 Ca 0.40 -0.78 0.00 0.00 0.01 0.00 0.00 55.36 54.99 1ieu s GLN 49 Cb 0.10 -0.43 0.00 0.00 -1.01 0.00 0.00 33.01 31.68 1ieu s GLN 49 CO 0.01 -1.22 0.00 0.00 0.01 0.00 0.00 175.29 174.08 1ieu n ALA 50 N 4.05 0.00 0.09 6.09 0.00 -1.26 -4.95 120.51 124.52 1ieu n ALA 50 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.49 1ieu n ALA 50 Cb 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.93 1ieu n ALA 50 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ieu h GLY 51 N 0.00 0.18 0.00 0.00 0.00 -1.96 -3.50 103.07 97.79 1ieu h GLY 51 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1ieu h GLY 51 CO 0.00 0.29 0.00 0.61 0.00 0.00 0.00 176.54 177.44 1ieu n GLY 52 N 0.96 0.43 2.43 4.60 0.00 -1.26 -5.13 105.19 107.22 1ieu n GLY 52 Ca -0.03 -1.27 -0.02 0.00 0.00 0.00 0.00 46.02 44.69 1ieu n GLY 52 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ieu n ASP 53 N 0.00 -5.54 0.08 1.61 9.92 -1.26 -4.65 116.55 116.71 1ieu n ASP 53 Ca 0.00 1.62 -0.04 0.00 -0.53 0.00 0.00 54.79 55.84 1ieu n ASP 53 Cb 0.00 -5.18 0.17 0.00 -0.64 0.00 0.00 41.12 35.47 1ieu n ASP 53 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ieu h ALA 54 N 4.13 0.97 0.00 2.24 0.00 -1.97 -3.39 119.26 121.25 1ieu h ALA 54 Ca -0.25 -0.47 -0.17 0.00 0.00 0.00 0.00 54.91 54.03 1ieu h ALA 54 Cb 0.55 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.11 1ieu h ALA 54 CO 0.00 0.65 -0.27 -2.37 0.00 0.00 0.00 179.25 177.27 1ieu n THR 55 N -3.96 0.00 -0.03 0.00 5.66 -1.26 -4.84 114.28 109.85 1ieu n THR 55 Ca -0.02 -1.02 -0.16 0.00 -3.05 0.00 0.00 64.05 59.80 1ieu n THR 55 Cb 0.54 0.98 -0.14 0.00 -1.55 0.00 0.00 70.33 70.16 1ieu n THR 55 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1ieu n GLU 56 N -1.37 0.70 -1.19 1.09 2.13 -1.26 -4.16 120.64 116.59 1ieu n GLU 56 Ca -0.15 0.23 -0.22 0.00 0.66 0.00 0.00 57.16 57.68 1ieu n GLU 56 Cb 0.86 -1.69 0.18 0.00 0.27 0.00 0.00 31.44 31.06 1ieu n GLU 56 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1ieu n ASN 57 N -3.24 3.69 -1.38 4.31 4.13 -1.26 -4.25 115.26 117.24 1ieu n ASN 57 Ca -0.29 -3.64 0.03 0.00 1.68 0.00 0.00 54.58 52.36 1ieu n ASN 57 Cb 1.05 -0.82 0.01 0.00 -1.54 0.00 0.00 39.78 38.49 1ieu n ASN 57 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1ieu n PHE 58 N -1.14 0.00 -2.33 3.10 7.35 -1.26 -4.71 117.46 118.48 1ieu n PHE 58 Ca 0.57 -0.45 -0.00 0.00 -0.76 0.00 0.00 57.45 56.81 1ieu n PHE 58 Cb 1.58 -0.11 0.01 0.00 0.35 0.00 0.00 39.48 41.31 1ieu n PHE 58 CO 0.00 0.00 0.00 -0.85 -0.76 0.00 0.00 176.76 175.15 1ieu n GLU 59 N 0.43 0.07 0.01 -4.13 0.28 -1.26 -4.97 120.64 111.08 1ieu n GLU 59 Ca 0.04 -0.08 -0.01 0.00 -0.16 0.00 0.00 57.16 56.95 1ieu n GLU 59 Cb 1.09 0.12 -0.00 0.00 1.43 0.00 0.00 31.44 34.07 1ieu n GLU 59 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1ieu n ASP 60 N -0.08 0.61 0.31 -1.84 2.03 -1.26 -4.67 116.55 111.64 1ieu n ASP 60 Ca -0.01 0.08 0.19 0.00 0.52 0.00 0.00 54.79 55.57 1ieu n ASP 60 Cb 0.48 -0.20 1.02 0.00 -0.72 0.00 0.00 41.12 41.70 1ieu n ASP 60 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 1ieu h VAL 61 N -0.06 0.24 -4.66 5.18 3.04 -1.95 -3.47 116.25 114.56 1ieu h VAL 61 Ca -0.02 -0.12 0.01 0.00 -1.01 0.00 0.00 66.70 65.55 1ieu h VAL 61 Cb 0.59 1.09 -0.09 0.00 -2.01 0.00 0.00 31.29 30.87 1ieu h VAL 61 CO -0.01 0.02 -1.28 0.61 -1.01 0.00 0.00 177.57 175.89 1ieu n GLY 62 N -1.00 -5.20 2.59 3.17 0.00 -1.26 -4.99 105.19 98.50 1ieu n GLY 62 Ca -0.03 1.16 -0.27 0.00 0.00 0.00 0.00 46.02 46.88 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 -0.57 2.08 0.05 1.61 -3.43 -1.26 -4.85 115.29 108.92 1ieu s HIS 63 Ca -0.19 -2.74 0.00 0.00 -0.80 0.00 0.00 55.06 51.33 1ieu s HIS 63 Cb 0.01 -1.63 0.00 0.00 -1.43 0.00 0.00 32.58 29.53 1ieu s HIS 63 CO 0.51 -0.71 0.00 -1.13 -2.00 0.00 0.00 174.74 171.41 1ieu n SER 64 N 2.49 -0.44 0.00 7.38 3.41 -1.26 -4.56 113.62 120.63 1ieu n SER 64 Ca 0.26 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 1ieu n SER 64 Cb 0.43 0.69 0.00 0.00 -0.26 0.00 0.00 64.21 65.07 1ieu n SER 64 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ieu n THR 65 N -2.68 0.00 0.00 6.66 -2.24 -1.26 -5.07 114.28 109.69 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 0.47 -0.57 0.00 0.00 175.07 174.97 1ieu n ASP 66 N -1.71 0.00 -2.61 3.42 8.00 -1.26 -4.97 116.55 117.42 1ieu n ASP 66 Ca 0.00 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.22 1ieu n ASP 66 Cb 0.00 0.01 -0.05 0.00 -0.02 0.00 0.00 41.12 41.06 1ieu n ASP 66 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ieu n ALA 67 N -0.73 6.50 -3.70 2.24 0.00 -1.26 -4.88 120.51 118.69 1ieu n ALA 67 Ca 0.00 -3.16 -0.05 0.00 0.00 0.00 0.00 53.44 50.23 1ieu n ALA 67 Cb 0.00 -2.23 -0.02 0.00 0.00 0.00 0.00 19.45 17.20 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 -1.58 1.19 0.13 0.00 0.52 -1.26 -5.17 118.95 112.77 1ieu s ARG 68 Ca 0.59 -0.62 0.08 0.00 -0.52 0.00 0.00 55.73 55.26 1ieu s ARG 68 Cb 0.36 0.43 -0.04 0.00 0.52 0.00 0.00 34.95 36.22 1ieu s ARG 68 CO -0.20 -0.54 -0.13 -2.00 0.02 0.00 0.00 175.30 172.45 1ieu s GLU 69 N -3.34 1.98 0.61 3.54 2.56 -1.26 -4.67 118.70 118.13 1ieu s GLU 69 Ca 0.10 -1.15 0.36 0.00 0.00 0.00 0.00 54.97 54.29 1ieu s GLU 69 Cb -0.02 -2.20 2.01 0.00 2.00 0.00 0.00 34.13 35.93 1ieu s GLU 69 CO -0.00 0.48 2.27 1.25 -0.56 0.00 0.00 175.26 178.70 1ieu h LEU 70 N 3.46 0.00 -8.31 2.70 6.46 -1.94 -3.40 115.31 114.29 1ieu h LEU 70 Ca -0.49 0.00 -0.22 0.00 -0.12 0.00 0.00 57.88 57.05 1ieu h LEU 70 Cb 1.18 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.08 1ieu h LEU 70 CO 0.50 0.02 0.94 -1.54 -0.62 0.00 0.00 178.44 177.74 1ieu n SER 71 N -3.47 1.16 0.00 1.25 3.41 -1.26 -3.18 113.62 111.53 1ieu n SER 71 Ca -0.03 -0.93 0.00 0.00 -0.26 0.00 0.00 58.87 57.65 1ieu n SER 71 Cb 0.11 -1.36 0.00 0.00 -0.26 0.00 0.00 64.21 62.70 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 8.20 0.00 -0.19 4.33 5.02 -1.26 -4.93 118.16 129.32 1ieu n LYS 72 Ca 0.50 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.91 1ieu n LYS 72 Cb 0.36 0.00 0.26 0.00 -0.02 0.00 0.00 35.03 35.63 1ieu n LYS 72 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1ieu n THR 73 N -0.56 0.50 -2.19 -0.18 5.66 -1.19 -4.19 114.28 112.12 1ieu n THR 73 Ca 0.00 -0.67 0.03 0.00 -3.05 0.00 0.00 64.05 60.35 1ieu n THR 73 Cb 0.00 0.75 0.02 0.00 -1.55 0.00 0.00 70.33 69.55 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 1.21 0.00 -3.21 1.09 4.01 -1.26 -5.10 117.16 113.90 1ieu n TYR 74 Ca 0.19 -0.35 -0.20 0.00 -0.16 0.00 0.00 57.90 57.38 1ieu n TYR 74 Cb 0.53 -0.11 0.01 0.00 -0.31 0.00 0.00 39.34 39.46 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 -0.25 3.83 0.00 -0.72 1.01 -1.26 -1.92 121.20 121.89 1ieu s ILE 75 Ca 0.20 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 60.02 1ieu s ILE 75 Cb 0.22 -3.35 0.00 0.00 0.01 0.00 0.00 42.46 39.34 1ieu s ILE 75 CO -0.09 -0.18 0.00 2.30 0.00 0.00 0.00 174.94 176.98 1ieu n ILE 76 N -1.85 0.00 -3.12 2.92 -5.35 -0.79 -4.62 119.36 106.55 1ieu n ILE 76 Ca 0.02 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.50 1ieu n ILE 76 Cb 0.58 -0.23 0.00 0.00 -1.74 0.00 0.00 39.64 38.25 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 2.34 0.71 0.65 3.28 0.00 -1.24 -4.08 105.19 106.85 1ieu n GLY 77 Ca 0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 46.02 45.36 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 -4.01 1.61 1.02 -1.09 -1.29 120.64 118.07 1ieu n GLU 78 Ca 0.00 -0.56 -0.24 0.00 -0.02 0.00 0.00 57.16 56.33 1ieu n GLU 78 Cb 0.00 0.02 -0.04 0.00 -0.02 0.00 0.00 31.44 31.41 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 4.11 0.51 -4.62 0.20 -1.06 -2.48 118.68 115.34 1ieu s LEU 79 Ca 0.07 0.00 -0.23 0.00 0.69 0.00 0.00 54.13 54.67 1ieu s LEU 79 Cb -0.01 -2.68 -0.06 0.00 -0.43 0.00 0.00 46.19 43.01 1ieu s LEU 79 CO 0.05 0.01 1.35 -2.28 -0.29 0.00 0.00 176.35 175.19 1ieu s HIS 80 N -1.86 2.41 -0.17 5.38 2.46 -1.19 -4.70 115.29 117.61 1ieu s HIS 80 Ca 0.33 1.37 0.16 0.00 0.47 0.00 0.00 55.06 57.39 1ieu s HIS 80 Cb -0.10 -3.78 0.03 0.00 -0.13 0.00 0.00 32.58 28.60 1ieu s HIS 80 CO 0.27 -2.73 1.27 -1.00 -2.47 0.00 0.00 174.74 170.08 1ieu h PRO 81 N 1.77 0.00 0.01 2.88 0.13 -1.95 -2.43 132.00 132.40 1ieu h PRO 81 Ca -0.51 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.44 1ieu h PRO 81 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 1ieu h PRO 81 CO 0.59 0.38 -0.88 -0.44 -0.23 0.00 0.00 178.00 177.42 1ieu h ASP 82 N 0.00 0.07 0.36 1.44 5.19 -1.99 -3.30 116.42 118.19 1ieu h ASP 82 Ca -0.04 -0.06 -0.32 0.00 -0.62 0.00 0.00 57.03 55.99 1ieu h ASP 82 Cb 1.39 -0.02 -0.04 0.00 0.18 0.00 0.00 39.33 40.83 1ieu h ASP 82 CO 0.05 0.91 -1.84 0.47 -3.12 0.00 0.00 179.24 175.71 1ieu n ASP 83 N -3.55 1.11 -4.68 6.45 8.00 -1.24 -4.92 116.55 117.72 1ieu n ASP 83 Ca -0.01 0.33 -0.34 0.00 0.71 0.00 0.00 54.79 55.47 1ieu n ASP 83 Cb 0.82 -0.18 0.11 0.00 -0.02 0.00 0.00 41.12 41.86 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 -3.13 0.38 -1.87 -1.24 0.00 -0.91 -4.89 116.66 105.00 1ieu n ARG 84 Ca -0.22 0.20 -0.41 0.00 -0.00 0.00 0.00 57.85 57.42 1ieu n ARG 84 Cb 1.06 -2.40 -0.01 0.00 0.00 0.00 0.00 32.46 31.10 1ieu n ARG 84 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1ieu s SER 85 N -1.91 6.46 0.02 6.15 0.01 -1.26 -4.66 113.70 118.51 1ieu s SER 85 Ca 0.75 2.89 0.00 0.00 1.31 0.00 0.00 55.95 60.89 1ieu s SER 85 Cb -0.31 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.27 1ieu s SER 85 CO 0.49 -0.82 0.00 1.17 0.41 0.00 0.00 173.24 174.49 1ieu n LYS 86 N 1.66 0.00 0.00 12.44 4.81 -1.26 -4.98 118.16 130.83 1ieu n LYS 86 Ca 0.05 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.32 1ieu n LYS 86 Cb 0.39 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 35.30 1ieu n LYS 86 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1ieu h ILE 87 N 0.00 1.62 -4.07 3.15 5.03 -1.94 -3.46 117.51 117.84 1ieu h ILE 87 Ca 0.00 -2.46 -0.22 0.00 -0.12 0.00 0.00 64.86 62.06 1ieu h ILE 87 Cb 0.00 3.27 0.05 0.00 -3.03 0.00 0.00 36.82 37.11 1ieu h ILE 87 CO 0.00 0.68 0.08 0.00 -0.68 0.00 0.00 178.15 178.23 1ieu n ALA 88 N -2.65 -0.07 -3.71 1.87 0.00 -1.26 -5.13 120.51 109.57 1ieu n ALA 88 Ca -0.12 -0.92 -0.05 0.00 0.00 0.00 0.00 53.44 52.34 1ieu n ALA 88 Cb 0.69 0.12 -0.02 0.00 0.00 0.00 0.00 19.45 20.24 1ieu n ALA 88 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ieu s LYS 89 N -3.83 1.23 -0.14 0.00 1.02 -1.26 -5.01 119.74 111.75 1ieu s LYS 89 Ca 0.33 -0.64 -0.23 0.00 0.02 0.00 0.00 55.97 55.44 1ieu s LYS 89 Cb -0.02 0.44 -0.25 0.00 -0.52 0.00 0.00 37.83 37.48 1ieu s LYS 89 CO 0.22 -0.56 0.61 -1.00 -0.92 0.00 0.00 175.35 173.70 1ieu h PRO 90 N 2.00 0.09 0.00 -1.68 0.13 -2.03 -3.48 132.00 127.03 1ieu h PRO 90 Ca -0.24 -0.16 -0.38 0.00 -0.87 0.00 0.00 66.00 64.35 1ieu h PRO 90 Cb 1.24 0.06 -0.07 0.00 0.13 0.00 0.00 31.00 32.36 1ieu h PRO 90 CO 0.27 1.08 -0.29 0.43 -0.23 0.00 0.00 178.00 179.26 1ieu n SER 91 N -4.35 2.49 -4.36 1.44 7.64 -1.26 -5.13 113.62 110.08 1ieu n SER 91 Ca -0.19 -2.33 -0.34 0.00 1.01 0.00 0.00 58.87 57.02 1ieu n SER 91 Cb 0.67 0.30 -0.14 0.00 -1.01 0.00 0.00 64.21 64.03 1ieu n SER 91 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1ieu s GLU 92 N -3.06 3.42 0.55 1.43 2.56 -1.26 -5.11 118.70 117.24 1ieu s GLU 92 Ca 0.03 -0.63 -0.14 0.00 0.00 0.00 0.00 54.97 54.22 1ieu s GLU 92 Cb 0.00 -2.84 -0.06 0.00 2.00 0.00 0.00 34.13 33.23 1ieu s GLU 92 CO 0.02 0.03 1.00 -0.08 -0.56 0.00 0.00 175.26 175.67 1ieu s THR 93 N 0.85 4.60 0.00 -1.70 -1.32 -1.26 -5.27 115.64 111.54 1ieu s THR 93 Ca -0.02 1.09 0.00 0.00 -1.21 0.00 0.00 61.69 61.55 1ieu s THR 93 Cb -0.15 -3.78 0.00 0.00 -1.51 0.00 0.00 72.50 67.07 1ieu s THR 93 CO 0.01 -0.86 0.00 -0.11 -2.21 0.00 0.00 174.62 171.45