#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 2.56 -0.07 -0.67 -2.85 -1.26 -4.67 119.74 112.78 1do9 s LYS 2 Ca 0.00 -1.21 -0.31 0.00 -1.00 0.00 0.00 55.97 53.45 1do9 s LYS 2 Cb 0.00 -3.38 0.11 0.00 -2.06 0.00 0.00 37.83 32.50 1do9 s LYS 2 CO 0.00 -0.66 1.36 -0.51 0.10 0.00 0.00 175.35 175.65 1do9 s ASP 3 N 1.37 -0.00 -0.38 0.03 1.01 -1.26 -5.12 116.67 112.32 1do9 s ASP 3 Ca -0.03 -0.06 0.01 0.00 0.71 0.00 0.00 52.55 53.19 1do9 s ASP 3 Cb -0.20 0.05 0.15 0.00 1.01 0.00 0.00 42.92 43.93 1do9 s ASP 3 CO 0.02 -0.09 0.26 -0.69 0.21 0.00 0.00 175.17 174.87 1do9 s VAL 4 N -2.03 0.38 -1.31 -1.27 1.01 -1.26 -4.30 120.40 111.62 1do9 s VAL 4 Ca 0.28 -2.12 -0.13 0.00 0.00 0.00 0.00 61.98 60.01 1do9 s VAL 4 Cb 0.02 -1.28 0.13 0.00 0.00 0.00 0.00 36.38 35.25 1do9 s VAL 4 CO -0.03 -1.05 1.83 0.29 0.00 0.00 0.00 175.10 176.14 1do9 n LYS 5 N 3.60 3.34 -0.84 2.72 5.02 -1.25 -4.69 118.16 126.06 1do9 n LYS 5 Ca 0.17 -3.37 -0.20 0.00 -2.02 0.00 0.00 58.31 52.89 1do9 n LYS 5 Cb 0.40 -3.11 -0.09 0.00 -0.02 0.00 0.00 35.03 32.20 1do9 n LYS 5 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1do9 n TYR 6 N 5.39 0.24 -4.17 2.13 4.01 -1.23 -4.04 117.16 119.49 1do9 n TYR 6 Ca 0.43 0.16 -0.24 0.00 -0.16 0.00 0.00 57.90 58.10 1do9 n TYR 6 Cb 0.40 -1.08 -0.06 0.00 -0.31 0.00 0.00 39.34 38.29 1do9 n TYR 6 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1do9 s TYR 7 N 3.82 2.97 0.04 -0.72 2.02 -0.29 -4.72 117.35 120.47 1do9 s TYR 7 Ca 0.76 -0.13 0.01 0.00 -0.37 0.00 0.00 57.07 57.33 1do9 s TYR 7 Cb -0.65 -1.36 -0.04 0.00 -0.40 0.00 0.00 41.96 39.51 1do9 s TYR 7 CO 0.29 0.55 0.12 0.95 -1.57 0.00 0.00 175.55 175.88 1do9 s THR 8 N -2.05 4.86 0.25 -0.71 -4.23 -1.26 0.24 115.64 112.73 1do9 s THR 8 Ca 0.31 -0.51 -0.07 0.00 -1.18 0.00 0.00 61.69 60.25 1do9 s THR 8 Cb -0.08 -3.30 0.30 0.00 1.34 0.00 0.00 72.50 70.76 1do9 s THR 8 CO 0.22 0.23 1.62 -0.07 -0.54 0.00 0.00 174.62 176.08 1do9 h LEU 9 N 3.59 -0.44 -0.32 4.79 -0.00 -1.99 0.26 115.31 121.19 1do9 h LEU 9 Ca -0.47 0.21 0.06 0.00 -0.00 0.00 0.00 57.88 57.67 1do9 h LEU 9 Cb 1.17 0.39 -0.05 0.00 -0.00 0.00 0.00 40.66 42.17 1do9 h LEU 9 CO 0.67 -0.21 -0.01 -0.08 -0.00 0.00 0.00 178.44 178.81 1do9 h GLU 10 N 0.07 0.08 -0.41 1.13 4.81 -1.94 0.20 114.58 118.51 1do9 h GLU 10 Ca 0.42 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.71 1do9 h GLU 10 Cb 0.74 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.05 1do9 h GLU 10 CO -0.72 0.05 0.09 1.49 -0.73 0.00 0.00 179.01 179.19 1do9 h GLU 11 N 0.08 0.22 -0.22 1.92 4.57 -0.93 -0.50 114.58 119.71 1do9 h GLU 11 Ca 0.15 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.27 1do9 h GLU 11 Cb 0.21 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1do9 h GLU 11 CO -0.26 0.15 -0.07 0.82 -1.18 0.00 0.00 179.01 178.46 1do9 h ILE 12 N 0.23 1.18 -0.24 2.32 2.04 -0.65 -0.47 117.51 121.92 1do9 h ILE 12 Ca 0.20 -0.74 -0.04 0.00 1.00 0.00 0.00 64.86 65.28 1do9 h ILE 12 Cb 0.24 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1do9 h ILE 12 CO -0.25 0.24 0.05 0.29 0.00 0.00 0.00 178.15 178.48 1do9 n LYS 13 N -4.29 2.26 0.00 2.37 5.02 0.00 -3.20 118.16 120.32 1do9 n LYS 13 Ca 0.00 -1.16 0.05 0.00 -2.02 0.00 0.00 58.31 55.19 1do9 n LYS 13 Cb 0.25 -1.72 -0.05 0.00 -0.02 0.00 0.00 35.03 33.49 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 0.17 3.14 0.00 1.97 4.81 -0.18 -4.92 118.16 123.14 1do9 n LYS 14 Ca 0.13 -0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1do9 n LYS 14 Cb 0.67 -1.03 0.00 0.00 0.02 0.00 0.00 35.03 34.68 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 -1.05 0.00 -4.15 5.64 8.25 -1.19 -4.88 115.22 117.84 1do9 n HIS 15 Ca 0.03 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.14 1do9 n HIS 15 Cb 0.18 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.27 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 -3.15 -0.00 0.41 0.23 -0.99 -4.87 115.26 106.89 1do9 n ASN 16 Ca 0.00 -0.98 -0.01 0.00 -0.53 0.00 0.00 54.58 53.07 1do9 n ASN 16 Cb 0.00 -2.96 -0.00 0.00 -2.08 0.00 0.00 39.78 34.74 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 -4.43 0.00 0.00 -2.53 8.25 -1.14 -5.06 115.22 110.31 1do9 n HIS 17 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1do9 n HIS 17 Cb 0.52 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.60 1do9 n HIS 17 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1do9 n SER 18 N -2.66 0.00 -0.76 0.41 2.88 -1.26 -4.94 113.62 107.29 1do9 n SER 18 Ca -0.01 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.63 1do9 n SER 18 Cb 0.03 0.00 0.30 0.00 -0.75 0.00 0.00 64.21 63.79 1do9 n SER 18 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1do9 n LYS 19 N 0.00 2.00 -3.46 -1.46 -0.00 -1.26 -4.72 118.16 109.25 1do9 n LYS 19 Ca 0.00 -1.51 -0.04 0.00 -0.00 0.00 0.00 58.31 56.76 1do9 n LYS 19 Cb 0.00 -1.42 -0.06 0.00 -0.00 0.00 0.00 35.03 33.55 1do9 n LYS 19 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1do9 s SER 20 N -1.46 -0.60 -0.39 -5.58 0.01 -1.26 -4.99 113.70 99.43 1do9 s SER 20 Ca 0.34 0.92 0.01 0.00 1.31 0.00 0.00 55.95 58.53 1do9 s SER 20 Cb 0.19 1.70 0.12 0.00 0.21 0.00 0.00 66.02 68.24 1do9 s SER 20 CO 0.27 -0.25 0.17 -0.89 0.41 0.00 0.00 173.24 172.95 1do9 s THR 21 N 2.72 1.28 0.56 1.44 2.01 -1.26 -2.35 115.64 120.04 1do9 s THR 21 Ca 0.06 -2.13 0.03 0.00 0.31 0.00 0.00 61.69 59.96 1do9 s THR 21 Cb -0.14 -1.92 0.05 0.00 0.01 0.00 0.00 72.50 70.50 1do9 s THR 21 CO -0.17 -0.80 0.78 0.26 -0.69 0.00 0.00 174.62 174.00 1do9 s TRP 22 N 0.84 2.51 -0.01 4.92 0.52 -1.26 -1.20 118.94 125.25 1do9 s TRP 22 Ca 0.14 -0.18 -0.30 0.00 0.02 0.00 0.00 56.10 55.78 1do9 s TRP 22 Cb -0.22 -2.69 0.11 0.00 -1.15 0.00 0.00 33.47 29.53 1do9 s TRP 22 CO -0.09 -0.97 1.19 -0.48 0.02 0.00 0.00 176.95 176.62 1do9 s LEU 23 N -4.75 -0.11 -0.35 2.99 0.05 -0.97 -0.77 118.68 114.77 1do9 s LEU 23 Ca 0.59 -0.16 -0.02 0.00 0.05 0.00 0.00 54.13 54.59 1do9 s LEU 23 Cb -0.09 1.57 0.08 0.00 -2.05 0.00 0.00 46.19 45.70 1do9 s LEU 23 CO 0.39 -0.43 0.09 -0.63 -0.55 0.00 0.00 176.35 175.22 1do9 s ILE 24 N -2.63 3.12 -0.77 1.48 1.01 0.27 -1.54 121.20 122.14 1do9 s ILE 24 Ca 0.12 -1.69 0.02 0.00 0.00 0.00 0.00 60.65 59.11 1do9 s ILE 24 Cb 0.02 -2.96 0.19 0.00 0.01 0.00 0.00 42.46 39.72 1do9 s ILE 24 CO -0.03 -0.37 0.59 -0.76 0.00 0.00 0.00 174.94 174.37 1do9 s LEU 25 N 1.20 5.10 0.00 2.97 1.43 -1.15 -2.51 118.68 125.72 1do9 s LEU 25 Ca 0.01 -3.73 0.00 0.00 -1.03 0.00 0.00 54.13 49.39 1do9 s LEU 25 Cb -0.21 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.26 1do9 s LEU 25 CO -0.02 -0.14 0.00 1.41 0.23 0.00 0.00 176.35 177.83 1do9 n HIS 26 N 2.22 0.00 -3.45 0.29 8.25 -1.26 -4.39 115.22 116.88 1do9 n HIS 26 Ca 0.19 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.49 1do9 n HIS 26 Cb 0.36 -0.77 -0.05 0.00 1.12 0.00 0.00 29.99 30.65 1do9 n HIS 26 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1do9 n HIS 27 N -0.36 -0.65 -3.71 4.41 8.25 -1.26 -4.89 115.22 117.01 1do9 n HIS 27 Ca 0.00 0.30 -0.10 0.00 -0.26 0.00 0.00 57.72 57.66 1do9 n HIS 27 Cb 0.10 -1.43 -0.06 0.00 1.12 0.00 0.00 29.99 29.72 1do9 n HIS 27 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1do9 s LYS 28 N -5.29 0.98 -0.26 -0.41 1.02 -1.26 -4.41 119.74 110.12 1do9 s LYS 28 Ca 0.01 -0.79 -0.03 0.00 0.02 0.00 0.00 55.97 55.18 1do9 s LYS 28 Cb -0.01 0.42 0.02 0.00 -0.52 0.00 0.00 37.83 37.75 1do9 s LYS 28 CO 0.51 -0.36 -0.03 0.08 -0.92 0.00 0.00 175.35 174.63 1do9 s VAL 29 N -3.80 3.14 0.34 3.17 1.01 -0.40 -2.95 120.40 120.92 1do9 s VAL 29 Ca 0.03 -0.92 0.08 0.00 0.00 0.00 0.00 61.98 61.17 1do9 s VAL 29 Cb 0.03 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1do9 s VAL 29 CO -0.12 0.19 0.18 -0.31 0.00 0.00 0.00 175.10 175.04 1do9 s TYR 30 N 1.37 2.74 -0.16 5.22 1.51 -0.59 -1.18 117.35 126.27 1do9 s TYR 30 Ca 0.01 -0.38 -0.03 0.00 -1.01 0.00 0.00 57.07 55.66 1do9 s TYR 30 Cb -0.17 -1.70 0.05 0.00 -0.11 0.00 0.00 41.96 40.04 1do9 s TYR 30 CO -0.03 0.29 0.06 0.34 -1.11 0.00 0.00 175.55 175.10 1do9 s ASP 31 N -3.89 2.36 -0.18 2.29 -1.08 -0.73 -2.28 116.67 113.16 1do9 s ASP 31 Ca 0.39 -0.57 0.16 0.00 -0.52 0.00 0.00 52.55 52.01 1do9 s ASP 31 Cb -0.03 -0.39 0.59 0.00 -1.46 0.00 0.00 42.92 41.64 1do9 s ASP 31 CO 0.24 -0.31 1.50 0.18 0.52 0.00 0.00 175.17 177.30 1do9 n LEU 32 N 5.18 4.29 -0.34 -1.34 4.77 -0.34 -4.64 117.00 124.59 1do9 n LEU 32 Ca -0.07 -2.93 -0.01 0.00 -0.03 0.00 0.00 56.01 52.96 1do9 n LEU 32 Cb 0.49 -0.56 0.12 0.00 -2.33 0.00 0.00 43.42 41.13 1do9 n LEU 32 CO 0.11 0.67 1.24 0.00 -1.33 0.00 0.00 177.39 178.08 1do9 h THR 33 N 2.39 1.16 -0.01 -5.08 1.03 -1.93 0.43 112.91 110.90 1do9 h THR 33 Ca 0.00 -0.40 0.00 0.00 -0.01 0.00 0.00 66.41 66.00 1do9 h THR 33 Cb 1.53 -0.10 0.00 0.00 -1.07 0.00 0.00 68.15 68.52 1do9 h THR 33 CO 0.27 0.21 -0.06 1.17 -0.01 0.00 0.00 175.52 177.10 1do9 n LYS 34 N -4.51 1.41 -0.00 0.00 0.00 -1.26 -3.48 118.16 110.32 1do9 n LYS 34 Ca 0.12 -0.79 0.07 0.00 0.00 0.00 0.00 58.31 57.71 1do9 n LYS 34 Cb 0.08 -1.48 -0.08 0.00 0.00 0.00 0.00 35.03 33.55 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 -0.11 0.00 0.00 5.64 7.35 -0.29 -4.51 117.46 125.55 1do9 n PHE 35 Ca 0.18 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.77 1do9 n PHE 35 Cb 0.34 -0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.13 1do9 n PHE 35 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1do9 h LEU 36 N 0.00 -0.75 -0.39 -2.13 3.38 -0.26 0.95 115.31 116.11 1do9 h LEU 36 Ca 0.00 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1do9 h LEU 36 Cb 0.35 0.33 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1do9 h LEU 36 CO 0.00 -0.29 0.00 -0.62 0.09 0.00 0.00 178.44 177.62 1do9 n GLU 37 N -5.37 1.08 -0.01 1.13 4.71 -1.26 -3.32 120.64 117.60 1do9 n GLU 37 Ca -0.03 -0.09 -0.01 0.00 -0.01 0.00 0.00 57.16 57.02 1do9 n GLU 37 Cb 0.28 -1.17 -0.03 0.00 -1.01 0.00 0.00 31.44 29.51 1do9 n GLU 37 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1do9 n GLU 38 N -0.29 2.46 -1.37 3.49 2.13 -0.17 -5.05 120.64 121.84 1do9 n GLU 38 Ca 0.01 -0.01 -0.36 0.00 0.66 0.00 0.00 57.16 57.45 1do9 n GLU 38 Cb 0.10 -1.09 0.07 0.00 0.27 0.00 0.00 31.44 30.79 1do9 n GLU 38 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1do9 n HIS 39 N -1.99 0.08 -1.21 4.31 -0.00 0.15 -4.77 115.22 111.79 1do9 n HIS 39 Ca -0.04 0.39 -0.32 0.00 0.46 0.00 0.00 57.72 58.20 1do9 n HIS 39 Cb 0.47 -2.02 -0.06 0.00 -0.12 0.00 0.00 29.99 28.26 1do9 n HIS 39 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1do9 n PRO 40 N -1.21 3.25 0.00 1.57 -0.04 -1.26 -3.93 135.00 133.38 1do9 n PRO 40 Ca 0.12 -1.90 0.00 0.00 -0.04 0.00 0.00 63.50 61.68 1do9 n PRO 40 Cb 0.49 -2.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.35 1do9 n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1do9 n GLY 41 N 3.35 0.87 3.22 0.55 0.00 -1.26 -5.09 105.19 106.83 1do9 n GLY 41 Ca 0.69 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.50 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 -2.00 -0.29 0.00 -0.02 0.00 -1.25 -4.87 105.19 96.75 1do9 n GLY 42 Ca 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1do9 n GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1do9 n GLU 43 N -2.90 0.00 -0.06 1.61 0.00 -1.26 -4.35 120.64 113.67 1do9 n GLU 43 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 57.16 57.19 1do9 n GLU 43 Cb 0.49 0.00 0.03 0.00 0.00 0.00 0.00 31.44 31.95 1do9 n GLU 43 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1do9 h GLU 44 N 0.00 0.77 0.00 5.31 4.57 -1.91 -0.30 114.58 123.02 1do9 h GLU 44 Ca 0.00 -0.42 -0.03 0.00 -1.18 0.00 0.00 59.36 57.73 1do9 h GLU 44 Cb 0.00 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1do9 h GLU 44 CO 0.00 1.05 -0.12 -0.24 -1.18 0.00 0.00 179.01 178.52 1do9 h VAL 45 N 0.62 1.04 0.00 0.32 3.04 -1.96 0.24 116.25 119.55 1do9 h VAL 45 Ca 0.04 -0.42 -0.06 0.00 -1.01 0.00 0.00 66.70 65.25 1do9 h VAL 45 Cb 1.00 1.23 -0.01 0.00 -2.01 0.00 0.00 31.29 31.50 1do9 h VAL 45 CO 0.10 0.12 -0.29 -0.07 -1.01 0.00 0.00 177.57 176.41 1do9 h LEU 46 N 0.00 0.00 -0.34 3.16 3.38 -1.44 -2.02 115.31 118.05 1do9 h LEU 46 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1do9 h LEU 46 Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1do9 h LEU 46 CO 0.02 0.29 -0.49 -0.09 0.09 0.00 0.00 178.44 178.25 1do9 h ARG 47 N 0.00 0.00 0.00 1.13 2.43 -0.46 -1.92 114.38 115.56 1do9 h ARG 47 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1do9 h ARG 47 Cb 0.64 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1do9 h ARG 47 CO 0.04 0.49 0.00 0.39 -1.51 0.00 0.00 179.97 179.38 1do9 n GLU 48 N -3.34 0.18 0.00 0.20 1.02 -0.12 -2.13 120.64 116.45 1do9 n GLU 48 Ca 0.01 0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 1do9 n GLU 48 Cb 0.67 -1.86 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 1do9 n GLU 48 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1do9 n GLN 49 N -2.19 1.69 -1.59 3.49 1.13 -1.19 -5.03 117.38 113.68 1do9 n GLN 49 Ca 0.02 -1.07 -0.41 0.00 -1.94 0.00 0.00 57.00 53.59 1do9 n GLN 49 Cb 0.21 -0.84 0.01 0.00 0.11 0.00 0.00 30.24 29.73 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 -0.30 -0.07 -2.46 -1.58 0.00 -0.73 -0.82 120.51 114.55 1do9 n ALA 50 Ca 0.00 0.22 -0.04 0.00 0.00 0.00 0.00 53.44 53.62 1do9 n ALA 50 Cb 0.29 -2.04 -0.00 0.00 0.00 0.00 0.00 19.45 17.70 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 1.28 -0.49 1.82 0.00 0.00 0.05 -4.87 105.19 102.98 1do9 n GLY 51 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.59 3.25 3.35 -0.02 0.00 -0.00 -4.42 105.19 106.75 1do9 n GLY 52 Ca -0.05 -1.74 -0.46 0.00 0.00 0.00 0.00 46.02 43.77 1do9 n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1do9 s ASP 53 N -2.30 6.39 0.00 1.61 -1.08 -1.26 -0.56 116.67 119.48 1do9 s ASP 53 Ca 0.21 -1.96 0.25 0.00 -0.52 0.00 0.00 52.55 50.53 1do9 s ASP 53 Cb 0.01 -2.26 0.62 0.00 -1.46 0.00 0.00 42.92 39.83 1do9 s ASP 53 CO 0.15 -0.88 1.50 0.00 0.52 0.00 0.00 175.17 176.47 1do9 n ALA 54 N 5.34 2.50 -0.29 3.66 0.00 -1.04 -4.35 120.51 126.33 1do9 n ALA 54 Ca -0.01 -0.62 0.08 0.00 0.00 0.00 0.00 53.44 52.89 1do9 n ALA 54 Cb 0.44 -0.99 0.31 0.00 0.00 0.00 0.00 19.45 19.20 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 3.42 0.94 -0.62 0.00 2.02 -1.88 0.32 112.91 117.12 1do9 h THR 55 Ca 0.00 -0.30 0.09 0.00 0.77 0.00 0.00 66.41 66.97 1do9 h THR 55 Cb 0.73 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.08 1do9 h THR 55 CO 0.00 0.16 0.26 -0.33 0.37 0.00 0.00 175.52 175.98 1do9 h GLU 56 N 0.86 0.46 0.42 6.66 5.08 -1.92 -0.61 114.58 125.53 1do9 h GLU 56 Ca 0.43 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.74 1do9 h GLU 56 Cb 0.46 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1do9 h GLU 56 CO -0.19 0.30 -0.20 -0.91 -1.00 0.00 0.00 179.01 177.01 1do9 h ASN 57 N 0.47 -0.48 -0.85 1.42 4.21 -1.28 -0.43 115.58 118.65 1do9 h ASN 57 Ca 0.30 0.02 0.33 0.00 1.21 0.00 0.00 56.30 58.16 1do9 h ASN 57 Cb 0.34 0.12 -0.15 0.00 -1.12 0.00 0.00 38.32 37.51 1do9 h ASN 57 CO -0.27 -0.26 0.35 0.33 -1.29 0.00 0.00 177.43 176.28 1do9 n PHE 58 N -3.96 0.88 0.07 1.19 -0.00 -0.65 -0.87 117.46 114.12 1do9 n PHE 58 Ca -0.07 1.01 -0.11 0.00 -0.00 0.00 0.00 57.45 58.28 1do9 n PHE 58 Cb 0.22 -1.35 -0.08 0.00 -0.00 0.00 0.00 39.48 38.28 1do9 n PHE 58 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 1do9 h GLU 59 N 0.00 -0.23 -0.29 -4.13 4.39 -1.01 -3.09 114.58 110.22 1do9 h GLU 59 Ca 0.67 0.02 0.06 0.00 0.34 0.00 0.00 59.36 60.45 1do9 h GLU 59 Cb 1.70 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 30.34 1do9 h GLU 59 CO -0.69 0.18 -0.10 0.22 -1.16 0.00 0.00 179.01 177.47 1do9 h ASP 60 N -0.84 -0.34 -0.87 1.42 1.82 0.66 0.15 116.42 118.42 1do9 h ASP 60 Ca -0.02 0.10 0.22 0.00 -0.39 0.00 0.00 57.03 56.93 1do9 h ASP 60 Cb 0.52 0.21 -0.13 0.00 0.68 0.00 0.00 39.33 40.61 1do9 h ASP 60 CO 0.04 -0.13 0.33 0.58 -1.61 0.00 0.00 179.24 178.45 1do9 h VAL 61 N -0.04 0.44 -0.07 2.25 2.07 -1.13 -3.46 116.25 116.30 1do9 h VAL 61 Ca 0.14 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1do9 h VAL 61 Cb 0.26 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 1do9 h VAL 61 CO -0.32 0.06 0.00 0.61 0.02 0.00 0.00 177.57 177.94 1do9 n GLY 62 N -1.35 0.91 3.09 2.17 0.00 0.52 -4.96 105.19 105.56 1do9 n GLY 62 Ca 0.21 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.87 -4.45 -1.05 1.61 8.25 -1.21 -4.97 115.22 110.52 1do9 n HIS 63 Ca 0.00 0.10 -0.29 0.00 -0.26 0.00 0.00 57.72 57.26 1do9 n HIS 63 Cb 0.34 -1.52 0.22 0.00 1.12 0.00 0.00 29.99 30.15 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 -1.05 1.47 0.00 0.41 1.04 -1.26 -4.94 113.70 109.37 1do9 s SER 64 Ca 0.45 0.91 -0.17 0.00 0.48 0.00 0.00 55.95 57.62 1do9 s SER 64 Cb -0.26 -1.36 -0.34 0.00 0.10 0.00 0.00 66.02 64.16 1do9 s SER 64 CO 0.78 -3.81 0.93 0.74 0.98 0.00 0.00 173.24 172.85 1do9 h THR 65 N -2.37 1.28 -0.36 2.02 2.02 -2.00 -3.05 112.91 110.45 1do9 h THR 65 Ca -0.50 -2.64 0.08 0.00 0.77 0.00 0.00 66.41 64.12 1do9 h THR 65 Cb 1.32 3.04 -0.02 0.00 -1.74 0.00 0.00 68.15 70.75 1do9 h THR 65 CO 0.45 0.79 0.26 -0.78 0.37 0.00 0.00 175.52 176.61 1do9 h ASP 66 N 0.03 0.10 -0.21 4.18 1.82 -2.00 0.89 116.42 121.23 1do9 h ASP 66 Ca -0.25 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.37 1do9 h ASP 66 Cb 2.05 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 42.04 1do9 h ASP 66 CO 0.24 0.07 0.02 0.00 -1.61 0.00 0.00 179.24 177.95 1do9 h ALA 67 N 1.81 0.28 -0.30 -0.78 0.00 -1.93 -1.34 119.26 117.00 1do9 h ALA 67 Ca 0.17 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1do9 h ALA 67 Cb 0.52 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1do9 h ALA 67 CO -0.02 -0.03 0.40 0.00 0.00 0.00 0.00 179.25 179.59 1do9 h ARG 68 N 0.14 0.00 0.11 0.00 3.08 -0.72 -2.68 114.38 114.30 1do9 h ARG 68 Ca 0.06 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.96 1do9 h ARG 68 Cb 0.35 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.41 1do9 h ARG 68 CO 0.01 0.00 -0.68 0.93 -1.07 0.00 0.00 179.97 179.16 1do9 h GLU 69 N 0.00 0.24 -0.34 0.04 5.08 -0.81 -3.29 114.58 115.50 1do9 h GLU 69 Ca 0.14 -0.41 0.01 0.00 -1.00 0.00 0.00 59.36 58.11 1do9 h GLU 69 Cb 0.93 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1do9 h GLU 69 CO -0.00 1.20 0.22 -0.07 -1.00 0.00 0.00 179.01 179.36 1do9 h LEU 70 N -0.49 0.35 -1.92 1.33 3.38 -1.15 0.28 115.31 117.09 1do9 h LEU 70 Ca -0.12 -0.01 0.28 0.00 0.09 0.00 0.00 57.88 58.12 1do9 h LEU 70 Cb 1.52 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 42.15 1do9 h LEU 70 CO 0.12 0.25 0.76 0.28 0.09 0.00 0.00 178.44 179.95 1do9 h SER 71 N 0.42 0.00 -0.56 -0.43 0.02 -1.59 0.16 113.55 111.57 1do9 h SER 71 Ca 0.13 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.97 1do9 h SER 71 Cb 0.01 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1do9 h SER 71 CO -0.03 0.00 -0.06 0.50 -1.14 0.00 0.00 176.83 176.10 1do9 h LYS 72 N 0.00 1.03 -0.00 3.45 3.64 -1.05 -1.37 116.57 122.27 1do9 h LYS 72 Ca 0.46 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1do9 h LYS 72 Cb 1.98 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.73 1do9 h LYS 72 CO -0.00 1.05 0.00 -2.37 -2.27 0.00 0.00 179.45 175.85 1do9 n THR 73 N -4.18 0.00 -0.11 1.00 5.66 0.52 -2.94 114.28 114.23 1do9 n THR 73 Ca 0.02 -0.03 -0.17 0.00 -3.05 0.00 0.00 64.05 60.82 1do9 n THR 73 Cb 0.38 -0.36 -0.09 0.00 -1.55 0.00 0.00 70.33 68.70 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 -0.83 0.00 -1.41 1.09 3.01 -0.72 -3.56 117.46 115.04 1do9 n PHE 74 Ca 0.23 0.00 -0.51 0.00 1.01 0.00 0.00 57.45 58.18 1do9 n PHE 74 Cb 0.14 -0.81 -0.09 0.00 -0.01 0.00 0.00 39.48 38.71 1do9 n PHE 74 CO 0.00 0.00 0.00 1.51 1.01 0.00 0.00 176.76 179.28 1do9 n ILE 75 N -3.31 0.10 0.71 4.37 3.06 -0.60 -1.78 119.36 121.91 1do9 n ILE 75 Ca -0.39 -0.21 0.11 0.00 -2.50 0.00 0.00 62.75 59.76 1do9 n ILE 75 Cb 0.88 -1.33 -0.00 0.00 0.54 0.00 0.00 39.64 39.73 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 7.14 0.08 -3.35 9.51 -5.35 -0.33 -4.37 119.36 122.69 1do9 n ILE 76 Ca 0.47 -0.16 0.00 0.00 -0.27 0.00 0.00 62.75 62.79 1do9 n ILE 76 Cb 0.17 0.43 0.00 0.00 -1.74 0.00 0.00 39.64 38.49 1do9 n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1do9 n GLY 77 N 1.42 0.62 3.33 3.28 0.00 -0.81 -3.84 105.19 109.19 1do9 n GLY 77 Ca 0.03 -0.67 -0.17 0.00 0.00 0.00 0.00 46.02 45.20 1do9 n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1do9 s GLU 78 N -0.10 1.45 0.98 1.61 2.12 -1.26 -1.28 118.70 122.22 1do9 s GLU 78 Ca 0.00 -1.79 -0.11 0.00 0.36 0.00 0.00 54.97 53.43 1do9 s GLU 78 Cb 0.00 -0.30 0.18 0.00 0.26 0.00 0.00 34.13 34.27 1do9 s GLU 78 CO 0.00 -0.30 1.09 -0.51 -0.54 0.00 0.00 175.26 175.00 1do9 s LEU 79 N -3.33 1.99 0.77 2.70 2.01 -1.26 -1.13 118.68 120.42 1do9 s LEU 79 Ca 0.37 1.69 -0.13 0.00 0.01 0.00 0.00 54.13 56.08 1do9 s LEU 79 Cb 0.08 -3.95 0.06 0.00 0.01 0.00 0.00 46.19 42.39 1do9 s LEU 79 CO 0.14 -3.24 1.14 -2.28 1.01 0.00 0.00 176.35 173.12 1do9 s HIS 80 N -2.71 2.19 0.23 0.29 2.46 0.14 -4.32 115.29 113.57 1do9 s HIS 80 Ca 0.66 1.63 0.12 0.00 0.47 0.00 0.00 55.06 57.93 1do9 s HIS 80 Cb -0.21 -3.27 0.35 0.00 -0.13 0.00 0.00 32.58 29.32 1do9 s HIS 80 CO 0.60 -2.27 1.60 -1.00 -2.47 0.00 0.00 174.74 171.20 1do9 h PRO 81 N -0.85 0.00 0.00 2.88 0.13 -1.93 -2.24 132.00 129.99 1do9 h PRO 81 Ca -0.45 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.63 1do9 h PRO 81 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1do9 h PRO 81 CO 0.49 0.61 -0.23 -0.44 -0.23 0.00 0.00 178.00 178.20 1do9 h ASP 82 N 0.00 0.00 -0.13 1.44 3.32 -1.96 -2.03 116.42 117.06 1do9 h ASP 82 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1do9 h ASP 82 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1do9 h ASP 82 CO 0.08 0.23 0.00 0.47 -1.72 0.00 0.00 179.24 178.30 1do9 n ASP 83 N -3.75 0.79 -0.01 6.45 8.00 -0.84 -0.58 116.55 126.60 1do9 n ASP 83 Ca -0.01 -2.01 0.08 0.00 0.71 0.00 0.00 54.79 53.55 1do9 n ASP 83 Cb 0.33 -0.13 -0.12 0.00 -0.02 0.00 0.00 41.12 41.19 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 -0.11 0.77 0.00 -1.24 0.00 -0.76 -4.88 116.66 110.44 1do9 n ARG 84 Ca 0.04 -0.12 0.00 0.00 -0.00 0.00 0.00 57.85 57.78 1do9 n ARG 84 Cb 0.14 -1.35 0.00 0.00 0.00 0.00 0.00 32.46 31.24 1do9 n ARG 84 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1do9 n SER 85 N -1.92 0.00 0.00 6.15 3.41 -1.18 -5.05 113.62 115.03 1do9 n SER 85 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1do9 n SER 85 Cb 0.38 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 1do9 n SER 85 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1do9 n LYS 86 N 0.00 0.00 -1.20 4.33 0.00 0.25 -5.04 118.16 116.50 1do9 n LYS 86 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 58.31 57.95 1do9 n LYS 86 Cb 0.00 -0.47 0.06 0.00 0.00 0.00 0.00 35.03 34.62 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 -1.10 -0.56 -1.96 3.14 4.77 -0.27 -4.48 117.00 116.54 1do9 n LEU 87 Ca 0.00 0.54 -0.02 0.00 -0.03 0.00 0.00 56.01 56.49 1do9 n LEU 87 Cb 0.00 -1.12 -0.02 0.00 -2.33 0.00 0.00 43.42 39.95 1do9 n LEU 87 CO 0.00 -3.68 -0.31 -0.24 -1.33 0.00 0.00 177.39 171.83 1do9 n SER 88 N 0.40 -1.97 -3.68 -1.43 2.88 -1.26 -5.07 113.62 103.49 1do9 n SER 88 Ca 0.08 0.70 -0.09 0.00 -1.33 0.00 0.00 58.87 58.23 1do9 n SER 88 Cb 0.50 -3.07 -0.10 0.00 -0.75 0.00 0.00 64.21 60.79 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 -0.93 0.43 0.91 -1.46 2.20 -1.26 -5.16 119.74 114.47 1do9 s LYS 89 Ca -0.12 0.94 -0.12 0.00 -0.36 0.00 0.00 55.97 56.31 1do9 s LYS 89 Cb 0.01 0.11 0.14 0.00 -1.51 0.00 0.00 37.83 36.58 1do9 s LYS 89 CO 0.32 -0.18 1.11 -1.25 -0.36 0.00 0.00 175.35 174.99 1do9 s PRO 90 N 1.76 1.14 0.30 4.03 0.04 -1.26 -5.09 135.00 135.93 1do9 s PRO 90 Ca -0.08 0.48 -0.02 0.00 0.04 0.00 0.00 61.00 61.43 1do9 s PRO 90 Cb -0.09 -1.82 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 1do9 s PRO 90 CO -0.14 -2.24 0.39 0.00 0.04 0.00 0.00 177.00 175.05 1do9 s MET 91 N -5.13 1.72 -0.03 4.56 0.23 -1.26 -5.17 119.30 114.22 1do9 s MET 91 Ca 0.64 -1.71 -0.01 0.00 -1.03 0.00 0.00 55.69 53.57 1do9 s MET 91 Cb -0.16 0.40 0.02 0.00 -1.53 0.00 0.00 34.83 33.56 1do9 s MET 91 CO 0.55 -0.68 0.07 -2.00 -2.03 0.00 0.00 175.02 170.92 1do9 s GLU 92 N -3.44 0.04 0.08 3.16 -6.30 -1.26 -5.15 118.70 105.82 1do9 s GLU 92 Ca 0.32 0.17 0.06 0.00 -2.50 0.00 0.00 54.97 53.03 1do9 s GLU 92 Cb 0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 34.13 34.01 1do9 s GLU 92 CO 0.19 -0.09 -0.17 -0.08 0.02 0.00 0.00 175.26 175.12 1do9 s THR 93 N 0.61 1.37 -1.57 -1.70 -1.32 -1.26 -5.37 115.64 106.41 1do9 s THR 93 Ca -0.05 -1.37 0.00 0.00 -1.21 0.00 0.00 61.69 59.06 1do9 s THR 93 Cb -0.07 -1.27 0.00 0.00 -1.51 0.00 0.00 72.50 69.65 1do9 s THR 93 CO -0.02 -0.13 0.39 0.00 -2.21 0.00 0.00 174.62 172.65