#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1do9 s LYS 2 N 0.00 0.78 -0.77 0.11 2.47 -1.26 -4.94 119.74 116.14 1do9 s LYS 2 Ca 0.00 -1.28 -0.00 0.00 -1.56 0.00 0.00 55.97 53.13 1do9 s LYS 2 Cb 0.00 0.24 -0.00 0.00 -1.46 0.00 0.00 37.83 36.61 1do9 s LYS 2 CO 0.00 -0.20 0.67 -0.25 0.16 0.00 0.00 175.35 175.73 1do9 n ASP 3 N -0.00 -6.96 0.00 1.43 9.92 -1.26 -5.03 116.55 114.65 1do9 n ASP 3 Ca -0.10 -0.33 0.00 0.00 -0.53 0.00 0.00 54.79 53.83 1do9 n ASP 3 Cb 0.62 -4.28 0.00 0.00 -0.64 0.00 0.00 41.12 36.82 1do9 n ASP 3 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1do9 n VAL 4 N -2.02 0.00 -3.37 2.53 0.31 -1.26 -5.08 118.33 109.44 1do9 n VAL 4 Ca -0.09 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 63.98 1do9 n VAL 4 Cb 0.56 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.40 1do9 n VAL 4 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1do9 n LYS 5 N 0.00 1.27 -1.69 5.55 4.01 -1.26 -5.00 118.16 121.04 1do9 n LYS 5 Ca 0.00 -3.77 -0.17 0.00 -0.51 0.00 0.00 58.31 53.86 1do9 n LYS 5 Cb 0.00 -1.71 -0.07 0.00 -0.51 0.00 0.00 35.03 32.74 1do9 n LYS 5 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 1do9 s TYR 6 N -1.38 1.32 0.27 2.13 2.02 -1.22 -1.45 117.35 119.04 1do9 s TYR 6 Ca 0.35 1.71 -0.18 0.00 -0.37 0.00 0.00 57.07 58.58 1do9 s TYR 6 Cb 0.12 -3.56 -0.09 0.00 -0.40 0.00 0.00 41.96 38.03 1do9 s TYR 6 CO -0.10 -1.46 0.74 0.71 -1.57 0.00 0.00 175.55 173.86 1do9 s TYR 7 N 14.03 3.53 0.18 2.71 2.02 -0.21 -4.77 117.35 134.85 1do9 s TYR 7 Ca 0.85 1.33 -0.13 0.00 -0.37 0.00 0.00 57.07 58.75 1do9 s TYR 7 Cb -0.10 -2.59 -0.07 0.00 -0.40 0.00 0.00 41.96 38.80 1do9 s TYR 7 CO 0.08 0.23 0.56 0.95 -1.57 0.00 0.00 175.55 175.80 1do9 s THR 8 N -1.72 4.86 0.24 -0.71 -4.23 -1.26 -0.83 115.64 111.99 1do9 s THR 8 Ca 0.48 0.76 -0.11 0.00 -1.18 0.00 0.00 61.69 61.64 1do9 s THR 8 Cb -0.14 -3.70 0.33 0.00 1.34 0.00 0.00 72.50 70.32 1do9 s THR 8 CO 0.19 0.14 1.60 -0.07 -0.54 0.00 0.00 174.62 175.95 1do9 h LEU 9 N 3.24 -0.74 -0.87 4.79 -0.00 -1.93 0.25 115.31 120.06 1do9 h LEU 9 Ca -0.48 0.24 0.23 0.00 -0.00 0.00 0.00 57.88 57.86 1do9 h LEU 9 Cb 1.19 0.49 -0.15 0.00 -0.00 0.00 0.00 40.66 42.19 1do9 h LEU 9 CO 0.67 -0.26 0.15 -0.08 -0.00 0.00 0.00 178.44 178.92 1do9 h GLU 10 N -0.00 0.14 -0.01 1.13 4.81 -1.96 0.33 114.58 119.03 1do9 h GLU 10 Ca 0.37 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.60 1do9 h GLU 10 Cb 0.57 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.92 1do9 h GLU 10 CO -0.81 0.10 0.00 1.49 -0.73 0.00 0.00 179.01 179.06 1do9 h GLU 11 N 0.15 0.01 -0.45 1.92 4.57 -0.89 -2.47 114.58 117.41 1do9 h GLU 11 Ca 0.53 -0.00 0.09 0.00 -1.18 0.00 0.00 59.36 58.80 1do9 h GLU 11 Cb 1.06 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.62 1do9 h GLU 11 CO -0.70 0.10 0.31 0.82 -1.18 0.00 0.00 179.01 178.36 1do9 h ILE 12 N -0.09 0.89 -0.23 2.32 5.03 -0.09 0.13 117.51 125.46 1do9 h ILE 12 Ca 0.00 -0.08 0.00 0.00 -0.12 0.00 0.00 64.86 64.66 1do9 h ILE 12 Cb 0.10 0.63 0.00 0.00 -3.03 0.00 0.00 36.82 34.52 1do9 h ILE 12 CO -0.00 0.04 0.00 0.29 -0.68 0.00 0.00 178.15 177.80 1do9 n LYS 13 N -4.46 1.64 -0.74 2.37 5.02 0.07 -3.43 118.16 118.63 1do9 n LYS 13 Ca 0.07 -0.88 0.02 0.00 -2.02 0.00 0.00 58.31 55.49 1do9 n LYS 13 Cb 0.35 -1.26 0.28 0.00 -0.02 0.00 0.00 35.03 34.39 1do9 n LYS 13 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1do9 n LYS 14 N 0.20 3.19 0.00 1.97 4.81 0.44 -4.92 118.16 123.86 1do9 n LYS 14 Ca 0.08 -3.02 0.00 0.00 -0.87 0.00 0.00 58.31 54.51 1do9 n LYS 14 Cb 0.25 -2.01 0.00 0.00 0.02 0.00 0.00 35.03 33.29 1do9 n LYS 14 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1do9 n HIS 15 N -0.40 0.00 -3.95 5.64 8.25 -1.22 -4.95 115.22 118.59 1do9 n HIS 15 Ca 0.31 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.46 1do9 n HIS 15 Cb 1.11 0.00 0.02 0.00 1.12 0.00 0.00 29.99 32.24 1do9 n HIS 15 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1do9 n ASN 16 N 0.00 -4.13 -0.00 0.41 0.23 -0.56 -4.89 115.26 106.31 1do9 n ASN 16 Ca 0.00 -0.83 -0.01 0.00 -0.53 0.00 0.00 54.58 53.21 1do9 n ASN 16 Cb 0.00 -3.69 -0.00 0.00 -2.08 0.00 0.00 39.78 34.00 1do9 n ASN 16 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1do9 n HIS 17 N -4.60 0.00 0.00 -2.53 -0.00 -1.21 -5.05 115.22 101.83 1do9 n HIS 17 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.73 1do9 n HIS 17 Cb 0.54 -0.06 0.00 0.00 -0.00 0.00 0.00 29.99 30.47 1do9 n HIS 17 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1do9 n SER 18 N -2.84 0.00 -2.07 0.41 3.41 -1.26 -4.97 113.62 106.31 1do9 n SER 18 Ca -0.02 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.33 1do9 n SER 18 Cb 0.06 0.06 0.09 0.00 -0.26 0.00 0.00 64.21 64.16 1do9 n SER 18 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1do9 n LYS 19 N -1.40 2.82 0.00 4.33 5.02 -1.26 -4.76 118.16 122.91 1do9 n LYS 19 Ca 0.00 -3.53 0.00 0.00 -2.02 0.00 0.00 58.31 52.76 1do9 n LYS 19 Cb 0.00 -2.21 0.00 0.00 -0.02 0.00 0.00 35.03 32.80 1do9 n LYS 19 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1do9 n SER 20 N -0.90 0.00 -4.08 4.39 7.64 -1.26 -5.07 113.62 114.34 1do9 n SER 20 Ca 0.53 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 60.05 1do9 n SER 20 Cb 0.90 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 64.02 1do9 n SER 20 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1do9 s THR 21 N 0.00 4.01 0.62 0.44 2.01 -1.26 -1.50 115.64 119.96 1do9 s THR 21 Ca 0.00 -3.62 -0.06 0.00 0.31 0.00 0.00 61.69 58.32 1do9 s THR 21 Cb 0.00 -3.54 0.02 0.00 0.01 0.00 0.00 72.50 68.99 1do9 s THR 21 CO 0.00 -1.01 0.93 0.26 -0.69 0.00 0.00 174.62 174.11 1do9 s TRP 22 N -0.95 3.21 0.15 4.92 0.52 -1.26 -0.17 118.94 125.36 1do9 s TRP 22 Ca 0.24 0.65 -0.24 0.00 0.02 0.00 0.00 56.10 56.76 1do9 s TRP 22 Cb -0.11 -2.83 0.07 0.00 -1.15 0.00 0.00 33.47 29.45 1do9 s TRP 22 CO -0.10 -0.94 1.01 -0.48 0.02 0.00 0.00 176.95 176.46 1do9 s LEU 23 N -5.06 -0.10 -0.38 2.99 0.05 -0.87 -0.79 118.68 114.51 1do9 s LEU 23 Ca 0.55 -0.49 0.03 0.00 0.05 0.00 0.00 54.13 54.28 1do9 s LEU 23 Cb -0.11 2.08 0.11 0.00 -2.05 0.00 0.00 46.19 46.22 1do9 s LEU 23 CO 0.46 -0.90 0.11 -0.63 -0.55 0.00 0.00 176.35 174.84 1do9 s ILE 24 N -2.83 2.49 -0.47 1.48 -1.09 0.46 -1.87 121.20 119.38 1do9 s ILE 24 Ca 0.16 -2.49 -0.06 0.00 -2.23 0.00 0.00 60.65 56.03 1do9 s ILE 24 Cb -0.01 -2.79 0.12 0.00 -1.58 0.00 0.00 42.46 38.19 1do9 s ILE 24 CO 0.03 -0.65 0.31 -0.76 -1.23 0.00 0.00 174.94 172.64 1do9 s LEU 25 N 0.71 5.51 -0.32 2.97 1.43 -0.76 -1.81 118.68 126.41 1do9 s LEU 25 Ca 0.12 -2.06 -0.09 0.00 -1.03 0.00 0.00 54.13 51.06 1do9 s LEU 25 Cb -0.21 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.10 1do9 s LEU 25 CO -0.06 -0.60 0.41 1.41 0.23 0.00 0.00 176.35 177.74 1do9 n HIS 26 N 4.63 -2.28 -3.64 0.29 8.25 -1.26 -3.80 115.22 117.41 1do9 n HIS 26 Ca -0.04 0.91 -0.25 0.00 -0.26 0.00 0.00 57.72 58.09 1do9 n HIS 26 Cb 0.41 -3.24 -0.06 0.00 1.12 0.00 0.00 29.99 28.22 1do9 n HIS 26 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1do9 n HIS 27 N -0.54 -0.81 -3.72 4.41 1.44 -1.26 -4.88 115.22 109.86 1do9 n HIS 27 Ca 0.07 0.43 -0.12 0.00 -2.01 0.00 0.00 57.72 56.09 1do9 n HIS 27 Cb 0.34 -1.58 -0.07 0.00 0.12 0.00 0.00 29.99 28.79 1do9 n HIS 27 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1do9 s LYS 28 N -5.59 0.85 -0.23 -1.40 1.02 -1.25 -4.62 119.74 108.53 1do9 s LYS 28 Ca 0.26 -0.47 -0.03 0.00 0.02 0.00 0.00 55.97 55.76 1do9 s LYS 28 Cb -0.15 0.37 0.00 0.00 -0.52 0.00 0.00 37.83 37.53 1do9 s LYS 28 CO 0.68 -0.28 -0.06 0.08 -0.92 0.00 0.00 175.35 174.85 1do9 s VAL 29 N -2.57 3.15 0.35 3.17 1.01 -0.31 -1.83 120.40 123.37 1do9 s VAL 29 Ca -0.05 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.33 1do9 s VAL 29 Cb -0.01 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 1do9 s VAL 29 CO -0.03 0.36 0.06 -0.31 0.00 0.00 0.00 175.10 175.18 1do9 s TYR 30 N 1.42 2.59 -0.48 5.22 1.51 -0.78 -1.26 117.35 125.57 1do9 s TYR 30 Ca 0.04 -0.46 0.03 0.00 -1.01 0.00 0.00 57.07 55.67 1do9 s TYR 30 Cb -0.15 -1.60 0.14 0.00 -0.11 0.00 0.00 41.96 40.24 1do9 s TYR 30 CO -0.04 0.40 0.28 0.34 -1.11 0.00 0.00 175.55 175.42 1do9 s ASP 31 N -3.77 3.69 -0.19 2.29 -1.08 -0.39 -2.06 116.67 115.17 1do9 s ASP 31 Ca 0.36 -2.87 0.00 0.00 -0.52 0.00 0.00 52.55 49.53 1do9 s ASP 31 Cb 0.00 -1.14 0.19 0.00 -1.46 0.00 0.00 42.92 40.52 1do9 s ASP 31 CO 0.20 -0.23 1.66 0.18 0.52 0.00 0.00 175.17 177.51 1do9 n LEU 32 N 3.23 5.21 -0.03 -1.34 4.77 0.76 -4.27 117.00 125.34 1do9 n LEU 32 Ca 0.11 -2.63 -0.11 0.00 -0.03 0.00 0.00 56.01 53.35 1do9 n LEU 32 Cb 0.35 -0.85 -0.09 0.00 -2.33 0.00 0.00 43.42 40.50 1do9 n LEU 32 CO 0.24 0.93 0.38 0.00 -1.33 0.00 0.00 177.39 177.61 1do9 h THR 33 N 0.67 1.25 0.00 -5.08 1.03 -1.94 -1.43 112.91 107.41 1do9 h THR 33 Ca 0.21 -1.67 0.00 0.00 -0.01 0.00 0.00 66.41 64.94 1do9 h THR 33 Cb 1.28 2.24 0.00 0.00 -1.07 0.00 0.00 68.15 70.61 1do9 h THR 33 CO 0.46 0.38 0.00 2.29 -0.01 0.00 0.00 175.52 178.64 1do9 n LYS 34 N -4.75 0.10 0.00 0.00 -0.00 -1.26 -2.38 118.16 109.87 1do9 n LYS 34 Ca -0.08 0.18 0.11 0.00 -0.00 0.00 0.00 58.31 58.52 1do9 n LYS 34 Cb 0.33 -1.64 -0.01 0.00 -0.00 0.00 0.00 35.03 33.70 1do9 n LYS 34 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1do9 n PHE 35 N -1.82 0.00 0.00 5.58 7.35 -1.22 -4.32 117.46 123.02 1do9 n PHE 35 Ca 0.05 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.74 1do9 n PHE 35 Cb 0.31 -0.07 0.00 0.00 0.35 0.00 0.00 39.48 40.07 1do9 n PHE 35 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1do9 n LEU 36 N -1.45 0.00 0.00 -2.13 4.77 -0.54 0.09 117.00 117.74 1do9 n LEU 36 Ca 0.05 0.50 0.09 0.00 -0.03 0.00 0.00 56.01 56.61 1do9 n LEU 36 Cb 0.34 0.00 0.44 0.00 -2.33 0.00 0.00 43.42 41.86 1do9 n LEU 36 CO 0.40 0.00 0.76 -0.62 -1.33 0.00 0.00 177.39 176.60 1do9 n GLU 37 N -0.90 0.24 -0.25 3.23 1.02 -1.26 -2.06 120.64 120.66 1do9 n GLU 37 Ca 0.00 0.12 0.10 0.00 -0.02 0.00 0.00 57.16 57.36 1do9 n GLU 37 Cb 0.00 -1.50 0.26 0.00 -0.02 0.00 0.00 31.44 30.18 1do9 n GLU 37 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1do9 n GLU 38 N -1.29 2.25 -3.35 3.49 0.00 -0.45 -4.88 120.64 116.40 1do9 n GLU 38 Ca 0.08 -1.94 -0.40 0.00 0.00 0.00 0.00 57.16 54.91 1do9 n GLU 38 Cb 0.14 -1.44 -0.09 0.00 0.00 0.00 0.00 31.44 30.05 1do9 n GLU 38 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1do9 s HIS 39 N -1.35 3.23 -1.18 4.31 2.46 0.11 -4.93 115.29 117.94 1do9 s HIS 39 Ca 0.37 0.29 -0.22 0.00 0.47 0.00 0.00 55.06 55.97 1do9 s HIS 39 Cb 0.20 -2.67 -0.04 0.00 -0.13 0.00 0.00 32.58 29.94 1do9 s HIS 39 CO 0.26 -0.33 1.87 -1.25 -2.47 0.00 0.00 174.74 172.82 1do9 s PRO 40 N 2.13 2.91 0.00 2.88 0.04 -1.26 -3.76 135.00 137.94 1do9 s PRO 40 Ca 0.15 -1.27 0.00 0.00 0.04 0.00 0.00 61.00 59.92 1do9 s PRO 40 Cb -0.16 -5.30 0.00 0.00 0.04 0.00 0.00 34.50 29.08 1do9 s PRO 40 CO 0.11 -3.42 0.00 0.41 0.04 0.00 0.00 177.00 174.14 1do9 n GLY 41 N 5.87 -0.84 1.10 0.56 0.00 -1.26 -5.14 105.19 105.48 1do9 n GLY 41 Ca 0.45 0.40 -0.04 0.00 0.00 0.00 0.00 46.02 46.82 1do9 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1do9 n GLY 42 N 0.00 2.49 0.15 -0.02 0.00 -1.25 -5.09 105.19 101.48 1do9 n GLY 42 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.67 1do9 n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1do9 n GLU 43 N -0.18 0.00 -0.14 1.61 4.71 -1.26 -4.50 120.64 120.88 1do9 n GLU 43 Ca -0.01 0.00 0.02 0.00 -0.01 0.00 0.00 57.16 57.17 1do9 n GLU 43 Cb 0.19 -0.41 0.32 0.00 -1.01 0.00 0.00 31.44 30.53 1do9 n GLU 43 CO 0.00 0.00 0.00 1.05 0.09 0.00 0.00 177.13 178.27 1do9 h GLU 44 N 0.00 0.80 -0.36 3.49 9.09 -1.98 -0.94 114.58 124.67 1do9 h GLU 44 Ca 0.00 -0.05 0.11 0.00 0.05 0.00 0.00 59.36 59.47 1do9 h GLU 44 Cb 0.00 -0.18 -0.01 0.00 -1.65 0.00 0.00 28.75 26.90 1do9 h GLU 44 CO 0.00 0.53 0.34 -0.39 0.05 0.00 0.00 179.01 179.54 1do9 h VAL 45 N 0.83 0.51 0.00 -1.06 -1.51 -1.98 0.21 116.25 113.25 1do9 h VAL 45 Ca 0.23 0.00 -0.19 0.00 -1.23 0.00 0.00 66.70 65.52 1do9 h VAL 45 Cb -0.06 0.74 -0.03 0.00 -2.13 0.00 0.00 31.29 29.81 1do9 h VAL 45 CO -0.05 0.00 -0.89 -0.07 -1.23 0.00 0.00 177.57 175.33 1do9 h LEU 46 N 0.00 0.00 -0.00 4.19 3.38 -1.51 -2.67 115.31 118.70 1do9 h LEU 46 Ca 0.17 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.91 1do9 h LEU 46 Cb 0.85 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1do9 h LEU 46 CO -0.00 0.89 -1.07 0.03 0.09 0.00 0.00 178.44 178.37 1do9 h ARG 47 N 0.00 0.15 0.00 1.13 3.08 -0.81 0.12 114.38 118.04 1do9 h ARG 47 Ca -0.01 -0.23 -0.04 0.00 0.07 0.00 0.00 59.98 59.78 1do9 h ARG 47 Cb 1.63 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.76 1do9 h ARG 47 CO 0.12 1.08 -0.18 0.93 -1.07 0.00 0.00 179.97 180.85 1do9 h GLU 48 N 0.05 0.00 -0.01 0.04 4.39 -0.62 -2.47 114.58 115.97 1do9 h GLU 48 Ca -0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1do9 h GLU 48 Cb 1.80 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.45 1do9 h GLU 48 CO 0.16 0.18 -0.10 1.04 -1.16 0.00 0.00 179.01 179.13 1do9 n GLN 49 N -3.41 1.44 -1.37 2.33 1.13 -1.01 -5.01 117.38 111.48 1do9 n GLN 49 Ca -0.00 -0.70 -0.36 0.00 -1.94 0.00 0.00 57.00 54.00 1do9 n GLN 49 Cb 0.37 -1.06 0.09 0.00 0.11 0.00 0.00 30.24 29.75 1do9 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1do9 n ALA 50 N -0.02 -0.08 -2.31 -1.58 0.00 0.40 -1.85 120.51 115.08 1do9 n ALA 50 Ca 0.04 -0.19 -0.08 0.00 0.00 0.00 0.00 53.44 53.21 1do9 n ALA 50 Cb 0.18 -2.15 -0.01 0.00 0.00 0.00 0.00 19.45 17.47 1do9 n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1do9 n GLY 51 N 1.02 -0.34 2.19 0.00 0.00 0.03 -4.86 105.19 103.23 1do9 n GLY 51 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 1do9 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1do9 n GLY 52 N -0.63 1.89 3.46 -0.02 0.00 -0.77 -4.65 105.19 104.46 1do9 n GLY 52 Ca -0.10 -1.33 -0.43 0.00 0.00 0.00 0.00 46.02 44.17 1do9 n GLY 52 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1do9 s ASP 53 N -2.29 6.33 0.00 1.61 1.47 -1.26 -0.40 116.67 122.13 1do9 s ASP 53 Ca 0.13 -1.32 0.29 0.00 1.18 0.00 0.00 52.55 52.83 1do9 s ASP 53 Cb -0.02 -2.43 1.33 0.00 -0.34 0.00 0.00 42.92 41.47 1do9 s ASP 53 CO 0.10 -1.34 1.91 0.00 0.68 0.00 0.00 175.17 176.52 1do9 n ALA 54 N 7.48 2.71 -0.25 2.11 0.00 -0.75 -4.11 120.51 127.70 1do9 n ALA 54 Ca 0.07 -0.29 -0.06 0.00 0.00 0.00 0.00 53.44 53.16 1do9 n ALA 54 Cb 0.47 -1.34 0.05 0.00 0.00 0.00 0.00 19.45 18.63 1do9 n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1do9 h THR 55 N 0.77 1.24 -0.77 0.00 2.02 -1.88 0.63 112.91 114.92 1do9 h THR 55 Ca 0.00 -0.72 0.19 0.00 0.77 0.00 0.00 66.41 66.65 1do9 h THR 55 Cb 0.31 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 1do9 h THR 55 CO 0.00 0.29 0.53 1.05 0.37 0.00 0.00 175.52 177.76 1do9 h GLU 56 N 0.99 0.21 0.00 6.66 -0.00 -1.91 -0.83 114.58 119.70 1do9 h GLU 56 Ca 0.24 -0.01 -0.00 0.00 -0.00 0.00 0.00 59.36 59.58 1do9 h GLU 56 Cb 0.17 -0.05 0.00 0.00 -0.00 0.00 0.00 28.75 28.87 1do9 h GLU 56 CO -0.02 0.14 -0.00 -0.91 -0.00 0.00 0.00 179.01 178.21 1do9 h ASN 57 N 0.22 -0.00 -1.16 3.06 2.35 -1.40 -2.77 115.58 115.88 1do9 h ASN 57 Ca 0.38 0.00 0.39 0.00 -0.55 0.00 0.00 56.30 56.52 1do9 h ASN 57 Cb 1.17 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 39.40 1do9 h ASN 57 CO -0.08 0.37 0.71 0.15 -1.65 0.00 0.00 177.43 176.93 1do9 h PHE 58 N -0.75 0.70 0.32 1.19 3.04 -0.52 -0.09 116.94 120.82 1do9 h PHE 58 Ca -0.00 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.96 1do9 h PHE 58 Cb 0.00 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.34 1do9 h PHE 58 CO 0.00 -0.23 -0.15 0.93 -2.02 0.00 0.00 178.31 176.84 1do9 h GLU 59 N 0.16 -0.41 -0.74 1.11 4.39 -1.31 -3.06 114.58 114.70 1do9 h GLU 59 Ca 0.79 0.03 0.12 0.00 0.34 0.00 0.00 59.36 60.64 1do9 h GLU 59 Cb 2.20 0.09 -0.09 0.00 -0.10 0.00 0.00 28.75 30.86 1do9 h GLU 59 CO -0.52 -0.14 0.33 0.22 -1.16 0.00 0.00 179.01 177.74 1do9 h ASP 60 N -1.02 0.37 -0.46 1.42 1.82 -0.77 0.14 116.42 117.92 1do9 h ASP 60 Ca -0.04 0.09 0.08 0.00 -0.39 0.00 0.00 57.03 56.76 1do9 h ASP 60 Cb 0.47 0.04 -0.07 0.00 0.68 0.00 0.00 39.33 40.45 1do9 h ASP 60 CO 0.07 0.18 0.06 0.58 -1.61 0.00 0.00 179.24 178.52 1do9 h VAL 61 N 0.52 0.71 -0.64 2.25 2.07 -1.27 -3.47 116.25 116.42 1do9 h VAL 61 Ca 0.39 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.85 1do9 h VAL 61 Cb 0.53 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1do9 h VAL 61 CO -0.35 0.03 0.00 0.61 0.02 0.00 0.00 177.57 177.89 1do9 n GLY 62 N -1.28 0.97 3.24 2.17 0.00 0.49 -5.01 105.19 105.77 1do9 n GLY 62 Ca 0.04 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 1do9 n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1do9 n HIS 63 N -1.66 -3.09 -1.53 1.61 8.25 -1.21 -5.01 115.22 112.58 1do9 n HIS 63 Ca 0.00 0.12 -0.29 0.00 -0.26 0.00 0.00 57.72 57.29 1do9 n HIS 63 Cb 0.33 -1.63 0.14 0.00 1.12 0.00 0.00 29.99 29.95 1do9 n HIS 63 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1do9 s SER 64 N -1.57 3.38 0.14 0.41 1.04 -1.26 -4.98 113.70 110.86 1do9 s SER 64 Ca 0.50 0.93 -0.05 0.00 0.48 0.00 0.00 55.95 57.80 1do9 s SER 64 Cb -0.20 -1.47 -0.05 0.00 0.10 0.00 0.00 66.02 64.40 1do9 s SER 64 CO 0.74 -2.63 1.35 0.74 0.98 0.00 0.00 173.24 174.42 1do9 h THR 65 N -1.55 1.37 -0.44 2.02 2.02 -2.00 -3.03 112.91 111.29 1do9 h THR 65 Ca -0.50 -2.25 0.11 0.00 0.77 0.00 0.00 66.41 64.54 1do9 h THR 65 Cb 1.33 2.24 -0.02 0.00 -1.74 0.00 0.00 68.15 69.95 1do9 h THR 65 CO 0.60 0.68 0.31 -0.78 0.37 0.00 0.00 175.52 176.70 1do9 h ASP 66 N 0.30 0.08 0.12 4.18 1.82 -2.00 0.03 116.42 120.94 1do9 h ASP 66 Ca -0.06 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.58 1do9 h ASP 66 Cb 1.46 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 41.45 1do9 h ASP 66 CO 0.15 0.05 -0.06 0.00 -1.61 0.00 0.00 179.24 177.77 1do9 h ALA 67 N 1.78 -0.16 -0.51 -0.78 0.00 -1.92 -2.45 119.26 115.23 1do9 h ALA 67 Ca 0.21 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 55.07 1do9 h ALA 67 Cb 0.72 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1do9 h ALA 67 CO -0.02 -0.39 0.55 0.00 0.00 0.00 0.00 179.25 179.39 1do9 h ARG 68 N -0.56 0.00 0.01 0.00 3.08 -0.94 -1.79 114.38 114.18 1do9 h ARG 68 Ca -0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1do9 h ARG 68 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1do9 h ARG 68 CO 0.03 0.00 -0.01 0.93 -1.07 0.00 0.00 179.97 179.85 1do9 h GLU 69 N 0.00 -0.02 -0.68 0.04 5.08 -1.07 -3.22 114.58 114.71 1do9 h GLU 69 Ca 0.24 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.80 1do9 h GLU 69 Cb 1.33 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.56 1do9 h GLU 69 CO -0.00 0.78 0.49 -0.07 -1.00 0.00 0.00 179.01 179.21 1do9 h LEU 70 N -0.90 0.01 -0.82 1.33 -0.00 -0.92 0.21 115.31 114.22 1do9 h LEU 70 Ca -0.00 0.00 0.17 0.00 -0.00 0.00 0.00 57.88 58.05 1do9 h LEU 70 Cb 0.81 -0.00 -0.10 0.00 -0.00 0.00 0.00 40.66 41.36 1do9 h LEU 70 CO 0.00 0.01 0.35 0.77 -0.00 0.00 0.00 178.44 179.57 1do9 h SER 71 N 0.01 0.34 -0.02 -0.43 4.64 -1.36 0.45 113.55 117.18 1do9 h SER 71 Ca 0.33 0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.75 1do9 h SER 71 Cb 1.28 0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.46 1do9 h SER 71 CO -0.01 0.09 -0.02 0.50 -0.87 0.00 0.00 176.83 176.53 1do9 h LYS 72 N 0.46 0.11 -0.65 4.77 3.11 -0.67 0.27 116.57 123.97 1do9 h LYS 72 Ca 0.47 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.30 1do9 h LYS 72 Cb 0.77 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.98 1do9 h LYS 72 CO -0.44 0.14 0.00 -2.37 -2.81 0.00 0.00 179.45 173.97 1do9 n THR 73 N -4.45 1.30 0.00 1.00 5.66 0.13 -4.24 114.28 113.67 1do9 n THR 73 Ca -0.02 -0.75 0.00 0.00 -3.05 0.00 0.00 64.05 60.24 1do9 n THR 73 Cb 0.14 -0.16 0.00 0.00 -1.55 0.00 0.00 70.33 68.76 1do9 n THR 73 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1do9 n PHE 74 N 0.50 0.00 -1.66 1.09 3.72 -0.26 -5.03 117.46 115.82 1do9 n PHE 74 Ca 0.16 0.00 -0.47 0.00 -0.05 0.00 0.00 57.45 57.08 1do9 n PHE 74 Cb 0.67 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.16 1do9 n PHE 74 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 1do9 n ILE 75 N -0.99 0.58 0.89 4.37 3.06 -0.08 -1.27 119.36 125.92 1do9 n ILE 75 Ca 0.00 -0.14 0.10 0.00 -2.50 0.00 0.00 62.75 60.21 1do9 n ILE 75 Cb 0.12 -1.97 0.05 0.00 0.54 0.00 0.00 39.64 38.38 1do9 n ILE 75 CO 0.00 0.00 0.00 2.30 -2.50 0.00 0.00 176.55 176.35 1do9 n ILE 76 N 5.49 0.00 -1.78 9.51 -6.64 -0.39 -4.93 119.36 120.61 1do9 n ILE 76 Ca 0.24 -0.42 0.00 0.00 -1.77 0.00 0.00 62.75 60.80 1do9 n ILE 76 Cb 0.31 1.37 0.00 0.00 -1.44 0.00 0.00 39.64 39.88 1do9 n ILE 76 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1do9 n GLY 77 N 1.24 -0.01 3.04 3.28 0.00 -1.14 -4.69 105.19 106.90 1do9 n GLY 77 Ca 0.11 -1.28 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 1do9 n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1do9 s GLU 78 N -2.00 0.41 0.51 1.61 2.02 -0.52 -1.17 118.70 119.56 1do9 s GLU 78 Ca 0.00 -0.60 -0.10 0.00 0.02 0.00 0.00 54.97 54.29 1do9 s GLU 78 Cb 0.00 0.15 -0.05 0.00 0.10 0.00 0.00 34.13 34.34 1do9 s GLU 78 CO 0.00 -0.08 0.89 -0.48 0.02 0.00 0.00 175.26 175.60 1do9 s LEU 79 N -1.59 3.54 -0.07 1.80 2.34 -1.26 -1.04 118.68 122.40 1do9 s LEU 79 Ca -0.13 1.21 -0.37 0.00 0.06 0.00 0.00 54.13 54.90 1do9 s LEU 79 Cb -0.07 -4.18 -0.15 0.00 -0.56 0.00 0.00 46.19 41.23 1do9 s LEU 79 CO -0.01 -0.64 1.66 1.41 -1.06 0.00 0.00 176.35 177.72 1do9 n HIS 80 N -2.13 2.04 0.05 3.48 8.25 -0.01 -4.77 115.22 122.13 1do9 n HIS 80 Ca 0.03 0.37 -0.14 0.00 -0.26 0.00 0.00 57.72 57.72 1do9 n HIS 80 Cb 0.54 -2.50 -0.05 0.00 1.12 0.00 0.00 29.99 29.11 1do9 n HIS 80 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1do9 h PRO 81 N 6.93 0.50 -0.56 -0.41 0.13 -1.93 -3.09 132.00 133.58 1do9 h PRO 81 Ca -0.47 -0.50 0.07 0.00 -0.87 0.00 0.00 66.00 64.23 1do9 h PRO 81 Cb 1.30 0.13 -0.06 0.00 0.13 0.00 0.00 31.00 32.50 1do9 h PRO 81 CO 0.90 1.14 0.24 0.22 -0.23 0.00 0.00 178.00 180.27 1do9 h ASP 82 N 0.30 0.29 -0.66 1.44 3.58 -2.01 -1.22 116.42 118.14 1do9 h ASP 82 Ca -0.08 0.05 -0.37 0.00 0.42 0.00 0.00 57.03 57.05 1do9 h ASP 82 Cb 1.54 0.01 -0.20 0.00 1.72 0.00 0.00 39.33 42.40 1do9 h ASP 82 CO 0.16 0.19 0.48 0.47 -2.88 0.00 0.00 179.24 177.66 1do9 n ASP 83 N -4.95 4.55 -0.02 2.28 8.00 -1.19 -4.01 116.55 121.22 1do9 n ASP 83 Ca 0.07 -3.14 -0.02 0.00 0.71 0.00 0.00 54.79 52.41 1do9 n ASP 83 Cb 0.21 -0.82 -0.02 0.00 -0.02 0.00 0.00 41.12 40.46 1do9 n ASP 83 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1do9 n ARG 84 N -0.43 2.52 -0.69 -1.24 0.63 -0.46 -4.67 116.66 112.31 1do9 n ARG 84 Ca 0.40 0.01 0.01 0.00 -0.92 0.00 0.00 57.85 57.35 1do9 n ARG 84 Cb 1.07 -1.08 0.20 0.00 0.45 0.00 0.00 32.46 33.10 1do9 n ARG 84 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1do9 n SER 85 N -2.26 2.09 -2.32 6.15 2.88 -1.24 -4.73 113.62 114.19 1do9 n SER 85 Ca -0.06 -3.83 -0.33 0.00 -1.33 0.00 0.00 58.87 53.32 1do9 n SER 85 Cb 0.60 -0.58 0.06 0.00 -0.75 0.00 0.00 64.21 63.54 1do9 n SER 85 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1do9 n LYS 86 N -1.12 2.90 -2.58 -1.46 0.00 -1.26 -4.96 118.16 109.68 1do9 n LYS 86 Ca 0.26 -3.52 -0.13 0.00 0.00 0.00 0.00 58.31 54.92 1do9 n LYS 86 Cb 0.86 -2.29 0.01 0.00 0.00 0.00 0.00 35.03 33.61 1do9 n LYS 86 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1do9 n LEU 87 N -0.83 0.00 -2.57 3.14 4.32 -1.26 -4.95 117.00 114.84 1do9 n LEU 87 Ca 0.58 -1.51 -0.00 0.00 -0.02 0.00 0.00 56.01 55.05 1do9 n LEU 87 Cb 0.68 -0.08 0.00 0.00 -1.62 0.00 0.00 43.42 42.40 1do9 n LEU 87 CO 0.68 -0.49 -0.42 -0.24 -1.22 0.00 0.00 177.39 175.71 1do9 n SER 88 N -2.11 -7.29 -3.64 -1.43 2.88 -1.26 -5.10 113.62 95.67 1do9 n SER 88 Ca 0.02 1.23 -0.09 0.00 -1.33 0.00 0.00 58.87 58.70 1do9 n SER 88 Cb 0.34 -4.81 -0.07 0.00 -0.75 0.00 0.00 64.21 58.92 1do9 n SER 88 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1do9 s LYS 89 N -1.47 0.65 0.39 -1.46 2.47 -1.26 -5.15 119.74 113.91 1do9 s LYS 89 Ca 0.01 0.91 -0.25 0.00 -1.56 0.00 0.00 55.97 55.07 1do9 s LYS 89 Cb -0.00 0.24 -0.09 0.00 -1.46 0.00 0.00 37.83 36.52 1do9 s LYS 89 CO 0.69 -0.10 1.13 -1.25 0.16 0.00 0.00 175.35 175.98 1do9 s PRO 90 N 0.85 4.11 0.06 4.03 0.04 -1.26 -5.06 135.00 137.77 1do9 s PRO 90 Ca -0.03 1.75 0.03 0.00 0.04 0.00 0.00 61.00 62.79 1do9 s PRO 90 Cb -0.05 -2.67 -0.03 0.00 0.04 0.00 0.00 34.50 31.79 1do9 s PRO 90 CO -0.09 -0.25 -0.09 1.41 0.04 0.00 0.00 177.00 178.03 1do9 s MET 91 N -2.30 0.65 -0.38 4.56 1.75 -1.26 -5.08 119.30 117.25 1do9 s MET 91 Ca 0.57 -0.92 0.06 0.00 -1.25 0.00 0.00 55.69 54.15 1do9 s MET 91 Cb -0.29 -0.37 0.28 0.00 2.84 0.00 0.00 34.83 37.29 1do9 s MET 91 CO 0.36 0.06 1.25 -0.85 -0.65 0.00 0.00 175.02 175.18 1do9 n GLU 92 N 1.11 0.82 -0.80 4.11 0.28 -1.26 -5.14 120.64 119.76 1do9 n GLU 92 Ca -0.20 -1.43 0.00 0.00 -0.16 0.00 0.00 57.16 55.37 1do9 n GLU 92 Cb 0.56 -0.13 0.00 0.00 1.43 0.00 0.00 31.44 33.30 1do9 n GLU 92 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1do9 n THR 93 N -0.43 -1.92 -0.51 3.84 -1.04 -1.26 -5.39 114.28 107.57 1do9 n THR 93 Ca -0.10 0.87 0.00 0.00 -2.04 0.00 0.00 64.05 62.78 1do9 n THR 93 Cb 0.77 -1.35 0.00 0.00 -1.82 0.00 0.00 70.33 67.93 1do9 n THR 93 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32