#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1do9 n LYS 2 N 0.00 0.55 -3.83 -1.24 2.85 -1.26 -3.88 118.16 111.35 1do9 n LYS 2 Ca 0.00 -3.34 -0.09 0.00 -1.05 0.00 0.00 58.31 53.83 1do9 n LYS 2 Cb 0.00 -1.60 0.02 0.00 -0.65 0.00 0.00 35.03 32.79 1do9 n LYS 2 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1do9 s ASP 3 N -0.52 0.02 -0.48 -5.58 -1.08 -1.26 -5.10 116.67 102.67 1do9 s ASP 3 Ca 0.33 -1.11 0.06 0.00 -0.52 0.00 0.00 52.55 51.32 1do9 s ASP 3 Cb 0.08 0.83 0.21 0.00 -1.46 0.00 0.00 42.92 42.57 1do9 s ASP 3 CO -0.16 -1.63 0.48 0.52 0.52 0.00 0.00 175.17 174.89 1do9 n VAL 4 N -0.52 -0.17 -2.73 1.11 0.31 -1.26 -3.85 118.33 111.22 1do9 n VAL 4 Ca -0.07 -4.07 -0.43 0.00 -0.01 0.00 0.00 64.34 59.76 1do9 n VAL 4 Cb 0.60 -1.89 -0.01 0.00 -0.91 0.00 0.00 33.84 31.63 1do9 n VAL 4 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1do9 s LYS 5 N -0.92 3.94 -0.30 5.55 2.20 -0.77 -4.67 119.74 124.78 1do9 s LYS 5 Ca 0.33 -2.06 -0.26 0.00 -0.36 0.00 0.00 55.97 53.62 1do9 s LYS 5 Cb 0.09 -5.30 -0.11 0.00 -1.51 0.00 0.00 37.83 30.99 1do9 s LYS 5 CO -0.14 -2.05 1.26 0.66 -0.36 0.00 0.00 175.35 174.72 1do9 n TYR 6 N 7.39 0.70 -4.30 4.03 4.01 -1.26 -4.09 117.16 123.64 1do9 n TYR 6 Ca 0.41 0.47 -0.25 0.00 -0.16 0.00 0.00 57.90 58.36 1do9 n TYR 6 Cb 0.46 -1.36 -0.08 0.00 -0.31 0.00 0.00 39.34 38.05 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 3.50 2.66 0.24 -0.72 2.02 -0.47 -4.87 117.35 119.70 1do9 s TYR 7 Ca 0.71 -0.22 -0.04 0.00 -0.37 0.00 0.00 57.07 57.15 1do9 s TYR 7 Cb -0.89 -1.24 -0.05 0.00 -0.40 0.00 0.00 41.96 39.38 1do9 s TYR 7 CO 0.40 0.57 0.48 0.95 -1.57 0.00 0.00 175.55 176.38 1do9 s THR 8 N -2.01 5.09 0.23 -0.71 -4.23 -1.26 -1.59 115.64 111.16 1do9 s THR 8 Ca 0.28 -0.05 -0.06 0.00 -1.18 0.00 0.00 61.69 60.67 1do9 s THR 8 Cb -0.08 -3.71 0.19 0.00 1.34 0.00 0.00 72.50 70.24 1do9 s THR 8 CO 0.17 -0.22 1.73 -0.07 -0.54 0.00 0.00 174.62 175.70 1do9 h LEU 9 N 1.97 0.25 -0.47 4.79 -0.00 -1.97 0.81 115.31 120.68 1do9 h LEU 9 Ca -0.47 0.10 0.08 0.00 -0.00 0.00 0.00 57.88 57.59 1do9 h LEU 9 Cb 1.19 0.08 -0.07 0.00 -0.00 0.00 0.00 40.66 41.86 1do9 h LEU 9 CO 0.68 0.11 0.07 -0.33 -0.00 0.00 0.00 178.44 178.97 1do9 h GLU 10 N 0.43 0.19 -0.13 1.13 5.08 -1.95 -0.65 114.58 118.68 1do9 h GLU 10 Ca 0.37 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.76 1do9 h GLU 10 Cb 0.53 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 1do9 h GLU 10 CO -0.37 0.12 -0.08 1.49 -1.00 0.00 0.00 179.01 179.17 1do9 h GLU 11 N 0.19 -0.08 -0.85 2.33 4.57 -1.25 -1.38 114.58 118.12 1do9 h GLU 11 Ca 0.24 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.46 1do9 h GLU 11 Cb 0.32 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.88 1do9 h GLU 11 CO -0.33 -0.06 0.56 0.82 -1.18 0.00 0.00 179.01 178.82 1do9 h ILE 12 N -0.09 1.13 -0.01 2.32 5.03 -0.75 0.50 117.51 125.65 1do9 h ILE 12 Ca 0.08 -0.36 0.00 0.00 -0.12 0.00 0.00 64.86 64.46 1do9 h ILE 12 Cb 0.20 -0.01 0.00 0.00 -3.03 0.00 0.00 36.82 33.98 1do9 h ILE 12 CO -0.18 0.19 0.00 0.29 -0.68 0.00 0.00 178.15 177.77 1do9 n LYS 13 N -4.45 1.06 -0.26 2.37 5.02 -0.31 -2.67 118.16 118.93 1do9 n LYS 13 Ca 0.11 -0.06 0.03 0.00 -2.02 0.00 0.00 58.31 56.36 1do9 n LYS 13 Cb 0.11 -1.30 0.04 0.00 -0.02 0.00 0.00 35.03 33.86 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 -0.18 0.60 0.00 1.97 4.81 0.16 -4.69 118.16 120.82 1do9 n LYS 14 Ca 0.01 -1.35 0.01 0.00 -0.87 0.00 0.00 58.31 56.10 1do9 n LYS 14 Cb 0.16 -0.80 0.01 0.00 0.02 0.00 0.00 35.03 34.42 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 -0.41 0.00 -2.05 5.64 8.25 -1.09 -4.91 115.22 120.66 1do9 n HIS 15 Ca 0.04 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.16 1do9 n HIS 15 Cb 0.61 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.67 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 -0.10 3.44 0.03 0.41 0.23 -1.26 -3.56 115.26 114.45 1do9 n ASN 16 Ca 0.01 -2.75 0.00 0.00 -0.53 0.00 0.00 54.58 51.31 1do9 n ASN 16 Cb 0.05 -1.66 0.00 0.00 -2.08 0.00 0.00 39.78 36.09 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 11.93 -0.31 0.00 -2.53 8.25 -1.26 -5.04 115.22 126.26 1do9 n HIS 17 Ca 0.47 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.98 1do9 n HIS 17 Cb 0.45 0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.71 1do9 n HIS 17 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1do9 n SER 18 N -2.92 0.00 -1.47 0.41 3.41 -1.26 -4.95 113.62 106.84 1do9 n SER 18 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.69 1do9 n SER 18 Cb 0.00 0.00 0.32 0.00 -0.26 0.00 0.00 64.21 64.27 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 0.00 3.55 -0.94 4.33 5.02 -1.26 -3.96 118.16 124.90 1do9 n LYS 19 Ca 0.00 -2.52 -0.01 0.00 -2.02 0.00 0.00 58.31 53.75 1do9 n LYS 19 Cb 0.00 -1.88 -0.02 0.00 -0.02 0.00 0.00 35.03 33.11 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 0.89 -0.07 -4.52 4.39 7.64 -1.26 -4.97 113.62 115.72 1do9 n SER 20 Ca 0.23 -1.78 -0.24 0.00 1.01 0.00 0.00 58.87 58.08 1do9 n SER 20 Cb 0.84 -0.01 -0.15 0.00 -1.01 0.00 0.00 64.21 63.88 1do9 n SER 20 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1do9 n THR 21 N 0.13 -0.01 -3.20 0.44 -1.04 -1.23 -4.33 114.28 105.04 1do9 n THR 21 Ca -0.08 -0.44 -0.20 0.00 -2.04 0.00 0.00 64.05 61.28 1do9 n THR 21 Cb 0.78 -0.93 0.04 0.00 -1.82 0.00 0.00 70.33 68.40 1do9 n THR 21 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 1do9 s TRP 22 N 6.92 1.74 -0.00 -1.42 0.52 -1.26 -1.67 118.94 123.76 1do9 s TRP 22 Ca 1.19 -0.68 -0.30 0.00 0.02 0.00 0.00 56.10 56.33 1do9 s TRP 22 Cb -0.66 -2.18 0.11 0.00 -1.15 0.00 0.00 33.47 29.59 1do9 s TRP 22 CO 0.39 -0.87 1.13 -0.48 0.02 0.00 0.00 176.95 177.14 1do9 s LEU 23 N -4.52 -0.15 -0.33 2.99 0.05 -0.93 -0.94 118.68 114.85 1do9 s LEU 23 Ca 0.55 -0.16 -0.04 0.00 0.05 0.00 0.00 54.13 54.54 1do9 s LEU 23 Cb -0.06 1.68 0.06 0.00 -2.05 0.00 0.00 46.19 45.82 1do9 s LEU 23 CO 0.34 -0.49 0.07 -0.63 -0.55 0.00 0.00 176.35 175.09 1do9 s ILE 24 N -2.75 3.30 -0.38 1.48 -1.09 -0.18 -1.56 121.20 120.03 1do9 s ILE 24 Ca 0.11 -1.41 -0.01 0.00 -2.23 0.00 0.00 60.65 57.11 1do9 s ILE 24 Cb 0.01 -2.95 0.10 0.00 -1.58 0.00 0.00 42.46 38.04 1do9 s ILE 24 CO -0.03 -0.23 0.14 -0.76 -1.23 0.00 0.00 174.94 172.83 1do9 s LEU 25 N 1.28 5.00 -0.42 2.97 1.43 -1.10 -2.94 118.68 124.90 1do9 s LEU 25 Ca -0.02 -2.01 -0.13 0.00 -1.03 0.00 0.00 54.13 50.94 1do9 s LEU 25 Cb -0.20 -1.76 0.02 0.00 0.03 0.00 0.00 46.19 44.27 1do9 s LEU 25 CO -0.00 -0.47 0.56 1.41 0.23 0.00 0.00 176.35 178.07 1do9 n HIS 26 N 4.50 -3.16 -3.57 0.29 8.25 -1.26 -3.90 115.22 116.36 1do9 n HIS 26 Ca -0.01 1.27 -0.22 0.00 -0.26 0.00 0.00 57.72 58.49 1do9 n HIS 26 Cb 0.42 -3.89 -0.06 0.00 1.12 0.00 0.00 29.99 27.58 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 -0.47 -0.77 -3.82 4.41 8.25 -1.26 -4.91 115.22 116.65 1do9 n HIS 27 Ca 0.10 0.40 -0.10 0.00 -0.26 0.00 0.00 57.72 57.86 1do9 n HIS 27 Cb 0.43 -1.56 -0.08 0.00 1.12 0.00 0.00 29.99 29.90 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 -5.49 0.76 -0.25 -0.41 1.02 -1.25 -3.87 119.74 110.26 1do9 s LYS 28 Ca 0.19 -0.66 -0.01 0.00 0.02 0.00 0.00 55.97 55.50 1do9 s LYS 28 Cb -0.11 0.32 0.03 0.00 -0.52 0.00 0.00 37.83 37.55 1do9 s LYS 28 CO 0.64 -0.23 -0.07 0.08 -0.92 0.00 0.00 175.35 174.85 1do9 s VAL 29 N -2.83 2.81 0.28 3.17 1.01 -0.90 -2.72 120.40 121.23 1do9 s VAL 29 Ca -0.03 -1.06 0.08 0.00 0.00 0.00 0.00 61.98 60.97 1do9 s VAL 29 Cb 0.00 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1do9 s VAL 29 CO -0.05 0.19 0.17 -0.31 0.00 0.00 0.00 175.10 175.10 1do9 s TYR 30 N 1.31 2.93 -0.15 5.22 1.51 -0.60 -1.40 117.35 126.17 1do9 s TYR 30 Ca -0.00 -0.21 -0.04 0.00 -1.01 0.00 0.00 57.07 55.80 1do9 s TYR 30 Cb -0.17 -1.48 0.06 0.00 -0.11 0.00 0.00 41.96 40.26 1do9 s TYR 30 CO -0.05 0.44 0.08 0.34 -1.11 0.00 0.00 175.55 175.25 1do9 s ASP 31 N -3.85 2.23 -0.21 2.29 -1.08 0.22 -2.18 116.67 114.08 1do9 s ASP 31 Ca 0.35 -0.53 0.12 0.00 -0.52 0.00 0.00 52.55 51.97 1do9 s ASP 31 Cb -0.06 -0.26 0.42 0.00 -1.46 0.00 0.00 42.92 41.56 1do9 s ASP 31 CO 0.24 -0.33 1.27 0.00 0.52 0.00 0.00 175.17 176.87 1do9 n LEU 32 N 5.26 3.02 0.12 -1.34 -0.00 -0.67 -4.69 117.00 118.70 1do9 n LEU 32 Ca -0.07 -3.71 -0.14 0.00 -0.00 0.00 0.00 56.01 52.09 1do9 n LEU 32 Cb 0.49 -0.54 -0.07 0.00 -0.00 0.00 0.00 43.42 43.30 1do9 n LEU 32 CO 0.10 1.23 0.60 0.74 -0.00 0.00 0.00 177.39 180.06 1do9 h THR 33 N 0.87 0.19 0.00 1.47 2.02 -1.88 0.50 112.91 116.08 1do9 h THR 33 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.23 1do9 h THR 33 Cb 1.17 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1do9 h THR 33 CO 0.10 0.00 0.00 1.17 0.37 0.00 0.00 175.52 177.16 1do9 n LYS 34 N -5.46 0.44 0.00 6.66 0.00 -1.26 -2.36 118.16 116.18 1do9 n LYS 34 Ca -0.07 0.05 0.08 0.00 0.00 0.00 0.00 58.31 58.37 1do9 n LYS 34 Cb 0.37 -1.50 -0.06 0.00 0.00 0.00 0.00 35.03 33.84 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 -1.20 0.00 0.04 5.64 7.35 -0.32 -4.32 117.46 124.64 1do9 n PHE 35 Ca 0.13 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.73 1do9 n PHE 35 Cb 0.15 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 39.93 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 0.69 -0.87 -0.21 -2.13 3.38 0.31 0.53 115.31 117.01 1do9 h LEU 36 Ca 0.00 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1do9 h LEU 36 Cb 0.45 0.33 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1do9 h LEU 36 CO 0.00 -0.28 0.00 1.05 0.09 0.00 0.00 178.44 179.30 1do9 h GLU 37 N -0.37 0.00 -0.12 1.13 9.09 -1.82 -3.12 114.58 119.37 1do9 h GLU 37 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1do9 h GLU 37 Cb 0.39 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.49 1do9 h GLU 37 CO -0.18 0.00 0.00 0.39 0.05 0.00 0.00 179.01 179.27 1do9 n GLU 38 N -2.34 1.65 -3.17 1.06 1.02 -0.48 -4.85 120.64 113.53 1do9 n GLU 38 Ca 0.05 -0.97 -0.40 0.00 -0.02 0.00 0.00 57.16 55.81 1do9 n GLU 38 Cb 0.39 -1.41 -0.06 0.00 -0.02 0.00 0.00 31.44 30.33 1do9 n GLU 38 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1do9 s HIS 39 N -1.86 3.37 -0.83 -0.32 2.46 0.17 -4.96 115.29 113.33 1do9 s HIS 39 Ca 0.34 0.86 -0.25 0.00 0.47 0.00 0.00 55.06 56.48 1do9 s HIS 39 Cb 0.18 -2.74 -0.02 0.00 -0.13 0.00 0.00 32.58 29.87 1do9 s HIS 39 CO 0.28 -0.14 1.81 -1.25 -2.47 0.00 0.00 174.74 172.97 1do9 s PRO 40 N 1.78 2.76 0.00 2.88 0.04 -1.26 -3.74 135.00 137.46 1do9 s PRO 40 Ca 0.27 -0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.13 1do9 s PRO 40 Cb -0.16 -4.88 0.00 0.00 0.04 0.00 0.00 34.50 29.51 1do9 s PRO 40 CO 0.10 -2.98 0.00 0.41 0.04 0.00 0.00 177.00 174.58 1do9 n GLY 41 N 6.47 -0.43 0.00 0.56 0.00 -1.26 -5.11 105.19 105.42 1do9 n GLY 41 Ca 0.32 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 3.80 1.15 -0.02 0.00 -1.25 -5.08 105.19 103.80 1do9 n GLY 42 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 0.00 0.08 1.61 0.00 -1.25 -4.39 120.64 116.68 1do9 n GLU 43 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 57.16 57.17 1do9 n GLU 43 Cb 0.00 -0.06 0.33 0.00 0.00 0.00 0.00 31.44 31.71 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 0.32 -0.97 5.31 4.81 -1.98 0.43 114.58 122.50 1do9 h GLU 44 Ca 0.00 -0.09 0.08 0.00 -0.13 0.00 0.00 59.36 59.22 1do9 h GLU 44 Cb 0.00 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.27 1do9 h GLU 44 CO 0.00 0.48 0.63 -0.39 -0.73 0.00 0.00 179.01 178.99 1do9 h VAL 45 N 0.30 1.04 0.00 0.32 -1.51 -1.99 0.27 116.25 114.68 1do9 h VAL 45 Ca 0.06 -0.37 -0.01 0.00 -1.23 0.00 0.00 66.70 65.15 1do9 h VAL 45 Cb 0.45 -0.14 -0.00 0.00 -2.13 0.00 0.00 31.29 29.47 1do9 h VAL 45 CO 0.03 0.20 -0.03 -0.07 -1.23 0.00 0.00 177.57 176.46 1do9 h LEU 46 N 1.08 0.00 0.00 4.19 3.38 -0.50 -2.39 115.31 121.07 1do9 h LEU 46 Ca 0.43 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.27 1do9 h LEU 46 Cb 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1do9 h LEU 46 CO -0.18 0.03 -0.70 -0.09 0.09 0.00 0.00 178.44 177.59 1do9 h ARG 47 N 0.00 0.00 0.00 1.13 2.43 -0.38 -2.77 114.38 114.79 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 0.45 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1do9 h ARG 47 CO 0.00 0.62 0.00 0.93 -1.51 0.00 0.00 179.97 180.02 1do9 h GLU 48 N 0.00 0.00 0.00 0.20 5.08 -0.33 -2.35 114.58 117.18 1do9 h GLU 48 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1do9 h GLU 48 Cb 1.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.76 1do9 h GLU 48 CO 0.08 0.00 -0.06 1.04 -1.00 0.00 0.00 179.01 179.07 1do9 n GLN 49 N -2.78 1.63 -1.65 2.33 1.13 -1.24 -5.03 117.38 111.77 1do9 n GLN 49 Ca 0.00 -1.57 -0.45 0.00 -1.94 0.00 0.00 57.00 53.04 1do9 n GLN 49 Cb 0.22 -0.99 -0.03 0.00 0.11 0.00 0.00 30.24 29.55 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 -0.62 0.61 -1.76 -1.58 0.00 -0.89 -0.76 120.51 115.51 1do9 n ALA 50 Ca 0.04 0.42 -0.12 0.00 0.00 0.00 0.00 53.44 53.78 1do9 n ALA 50 Cb 0.46 -2.20 -0.04 0.00 0.00 0.00 0.00 19.45 17.67 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 1.90 0.56 3.37 0.00 0.00 -0.11 -4.89 105.19 106.01 1do9 n GLY 51 Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 1do9 n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1do9 s GLY 52 N -2.05 2.02 -0.92 -0.02 0.00 0.06 -4.35 107.32 102.07 1do9 s GLY 52 Ca 0.00 -1.87 -0.21 0.00 0.00 0.00 0.00 44.72 42.64 1do9 s GLY 52 CO 0.00 -1.29 1.24 0.51 0.00 0.00 0.00 173.10 173.57 1do9 s ASP 53 N -3.33 6.49 0.00 1.64 1.47 -1.26 -1.01 116.67 120.68 1do9 s ASP 53 Ca 0.37 -1.58 0.30 0.00 1.18 0.00 0.00 52.55 52.82 1do9 s ASP 53 Cb 0.01 -2.48 1.49 0.00 -0.34 0.00 0.00 42.92 41.60 1do9 s ASP 53 CO 0.25 -1.33 1.99 0.00 0.68 0.00 0.00 175.17 176.76 1do9 n ALA 54 N 7.78 2.65 -0.33 2.11 0.00 -1.15 -4.13 120.51 127.44 1do9 n ALA 54 Ca 0.23 -0.31 0.09 0.00 0.00 0.00 0.00 53.44 53.45 1do9 n ALA 54 Cb 0.49 -1.36 0.29 0.00 0.00 0.00 0.00 19.45 18.88 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 1.02 0.88 -0.65 0.00 2.02 -1.88 0.51 112.91 114.81 1do9 h THR 55 Ca 0.00 -0.30 0.13 0.00 0.77 0.00 0.00 66.41 67.00 1do9 h THR 55 Cb 0.24 -0.08 -0.09 0.00 -1.74 0.00 0.00 68.15 66.48 1do9 h THR 55 CO 0.00 0.16 0.17 -0.33 0.37 0.00 0.00 175.52 175.89 1do9 h GLU 56 N 0.88 0.29 0.36 6.66 4.39 -1.95 -0.98 114.58 124.23 1do9 h GLU 56 Ca 0.48 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 60.15 1do9 h GLU 56 Cb 0.58 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1do9 h GLU 56 CO -0.25 0.19 -0.17 -0.91 -1.16 0.00 0.00 179.01 176.71 1do9 h ASN 57 N 0.30 -0.41 -0.97 1.42 4.21 -1.25 -0.24 115.58 118.65 1do9 h ASN 57 Ca 0.35 -0.10 0.35 0.00 1.21 0.00 0.00 56.30 58.11 1do9 h ASN 57 Cb 0.53 0.11 -0.18 0.00 -1.12 0.00 0.00 38.32 37.66 1do9 h ASN 57 CO -0.42 0.04 0.32 0.33 -1.29 0.00 0.00 177.43 176.41 1do9 n PHE 58 N -5.11 0.92 0.09 1.19 -0.00 -0.54 -1.38 117.46 112.64 1do9 n PHE 58 Ca -0.08 1.16 -0.22 0.00 -0.00 0.00 0.00 57.45 58.31 1do9 n PHE 58 Cb 0.25 -1.42 -0.15 0.00 -0.00 0.00 0.00 39.48 38.16 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 0.40 -0.84 -4.13 4.39 -1.20 -1.87 114.58 111.34 1do9 h GLU 59 Ca 0.73 -0.68 0.14 0.00 0.34 0.00 0.00 59.36 59.89 1do9 h GLU 59 Cb 1.78 0.25 -0.09 0.00 -0.10 0.00 0.00 28.75 30.60 1do9 h GLU 59 CO -0.82 1.31 0.42 0.22 -1.16 0.00 0.00 179.01 178.99 1do9 h ASP 60 N 0.11 0.51 0.61 1.42 3.58 0.23 -0.51 116.42 122.36 1do9 h ASP 60 Ca -0.31 0.09 -0.28 0.00 0.42 0.00 0.00 57.03 56.96 1do9 h ASP 60 Cb 2.10 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 43.15 1do9 h ASP 60 CO 0.20 0.21 -1.37 -0.37 -2.88 0.00 0.00 179.24 175.03 1do9 h VAL 61 N 0.61 1.32 -3.28 2.25 -1.51 -1.43 -3.49 116.25 110.72 1do9 h VAL 61 Ca 0.45 -2.98 -0.06 0.00 -1.23 0.00 0.00 66.70 62.88 1do9 h VAL 61 Cb 0.64 2.79 0.04 0.00 -2.13 0.00 0.00 31.29 32.62 1do9 h VAL 61 CO -0.36 0.84 -0.18 0.61 -1.23 0.00 0.00 177.57 177.25 1do9 n GLY 62 N 1.56 0.41 3.36 5.19 0.00 -0.20 -4.93 105.19 110.58 1do9 n GLY 62 Ca -0.11 -0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.80 -1.90 -1.24 1.61 8.25 -1.13 -5.00 115.22 114.00 1do9 n HIS 63 Ca -0.03 0.22 -0.29 0.00 -0.26 0.00 0.00 57.72 57.36 1do9 n HIS 63 Cb 0.53 -1.76 0.18 0.00 1.12 0.00 0.00 29.99 30.07 1do9 n HIS 63 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1do9 s SER 64 N -1.77 2.42 0.13 0.41 0.01 -1.26 -4.89 113.70 108.75 1do9 s SER 64 Ca 0.56 1.00 -0.08 0.00 1.31 0.00 0.00 55.95 58.73 1do9 s SER 64 Cb -0.23 -1.55 -0.09 0.00 0.21 0.00 0.00 66.02 64.36 1do9 s SER 64 CO 0.68 -3.23 1.34 0.74 0.41 0.00 0.00 173.24 173.18 1do9 h THR 65 N -1.97 1.32 -0.35 1.44 2.02 -1.99 -2.29 112.91 111.09 1do9 h THR 65 Ca -0.52 -2.08 0.04 0.00 0.77 0.00 0.00 66.41 64.62 1do9 h THR 65 Cb 1.32 2.08 -0.02 0.00 -1.74 0.00 0.00 68.15 69.80 1do9 h THR 65 CO 0.54 0.64 0.24 -0.78 0.37 0.00 0.00 175.52 176.53 1do9 h ASP 66 N 0.42 0.26 0.01 4.18 1.82 -2.00 0.14 116.42 121.26 1do9 h ASP 66 Ca -0.05 -0.00 -0.24 0.00 -0.39 0.00 0.00 57.03 56.35 1do9 h ASP 66 Cb 1.41 -0.06 0.01 0.00 0.68 0.00 0.00 39.33 41.37 1do9 h ASP 66 CO 0.15 0.18 -0.89 0.00 -1.61 0.00 0.00 179.24 177.07 1do9 h ALA 67 N 1.80 0.28 -0.30 -0.78 0.00 -1.91 -2.76 119.26 115.59 1do9 h ALA 67 Ca 0.15 -0.65 0.09 0.00 0.00 0.00 0.00 54.91 54.50 1do9 h ALA 67 Cb 0.21 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1do9 h ALA 67 CO -0.03 0.71 0.25 -0.09 0.00 0.00 0.00 179.25 180.09 1do9 h ARG 68 N 0.43 0.00 0.08 0.00 9.65 -0.17 -2.71 114.38 121.66 1do9 h ARG 68 Ca -0.08 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.79 1do9 h ARG 68 Cb 1.53 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.11 1do9 h ARG 68 CO 0.17 0.00 -0.04 0.93 2.80 0.00 0.00 179.97 183.84 1do9 h GLU 69 N 0.00 -0.10 -0.20 0.20 5.08 -1.00 -3.27 114.58 115.29 1do9 h GLU 69 Ca 0.14 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.56 1do9 h GLU 69 Cb 0.64 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1do9 h GLU 69 CO -0.00 0.46 0.15 -0.07 -1.00 0.00 0.00 179.01 178.54 1do9 h LEU 70 N -0.83 0.01 -0.88 1.33 -0.00 -1.35 0.19 115.31 113.78 1do9 h LEU 70 Ca -0.01 -0.00 0.23 0.00 -0.00 0.00 0.00 57.88 58.10 1do9 h LEU 70 Cb 0.60 -0.00 -0.15 0.00 -0.00 0.00 0.00 40.66 41.11 1do9 h LEU 70 CO 0.02 0.01 0.15 -1.28 -0.00 0.00 0.00 178.44 177.33 1do9 h SER 71 N 0.01 -0.17 0.13 -0.43 0.87 -1.53 0.86 113.55 113.28 1do9 h SER 71 Ca 0.10 0.22 -0.06 0.00 -1.23 0.00 0.00 61.79 60.82 1do9 h SER 71 Cb 0.37 0.33 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 1do9 h SER 71 CO -0.00 -0.21 -0.20 0.50 -0.53 0.00 0.00 176.83 176.39 1do9 h LYS 72 N 0.14 0.15 -0.29 2.24 1.63 -0.69 -1.82 116.57 117.91 1do9 h LYS 72 Ca 0.54 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.30 1do9 h LYS 72 Cb 1.09 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.70 1do9 h LYS 72 CO -0.72 0.35 0.00 -2.37 -3.45 0.00 0.00 179.45 173.26 1do9 n THR 73 N -4.24 0.37 0.06 1.00 5.66 0.10 -4.08 114.28 113.16 1do9 n THR 73 Ca -0.01 -0.57 0.06 0.00 -3.05 0.00 0.00 64.05 60.48 1do9 n THR 73 Cb 0.30 0.71 -0.09 0.00 -1.55 0.00 0.00 70.33 69.69 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 0.98 0.00 -1.72 1.09 3.01 -0.08 -1.13 117.46 119.60 1do9 n PHE 74 Ca 0.18 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.21 1do9 n PHE 74 Cb 0.48 -0.26 -0.03 0.00 -0.01 0.00 0.00 39.48 39.67 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 -1.86 0.34 -0.02 4.37 0.13 -0.83 -0.61 119.36 120.87 1do9 n ILE 75 Ca -0.02 -0.08 0.00 0.00 -1.10 0.00 0.00 62.75 61.55 1do9 n ILE 75 Cb 0.31 -1.95 0.00 0.00 -0.84 0.00 0.00 39.64 37.16 1do9 n ILE 75 CO 0.00 0.00 0.00 2.30 2.80 0.00 0.00 176.55 181.65 1do9 n ILE 76 N 3.33 0.00 -3.92 9.51 -6.64 -0.49 -4.08 119.36 117.07 1do9 n ILE 76 Ca 0.14 -0.48 0.01 0.00 -1.77 0.00 0.00 62.75 60.65 1do9 n ILE 76 Cb 0.35 1.02 0.01 0.00 -1.44 0.00 0.00 39.64 39.57 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 0.62 0.44 3.11 3.28 0.00 -1.16 -1.84 105.19 109.64 1do9 n GLY 77 Ca 0.00 -0.93 -0.08 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.01 0.64 0.18 1.61 2.12 -1.26 -2.13 118.70 117.85 1do9 s GLU 78 Ca 0.13 -1.09 -0.33 0.00 0.36 0.00 0.00 54.97 54.04 1do9 s GLU 78 Cb -0.00 0.23 -0.13 0.00 0.26 0.00 0.00 34.13 34.49 1do9 s GLU 78 CO -0.00 -0.14 1.64 1.28 -0.54 0.00 0.00 175.26 177.49 1do9 n LEU 79 N 0.23 3.45 -4.42 2.70 4.32 -1.25 -1.37 117.00 120.66 1do9 n LEU 79 Ca -0.15 1.07 -0.43 0.00 -0.02 0.00 0.00 56.01 56.48 1do9 n LEU 79 Cb 0.61 -1.48 -0.01 0.00 -1.62 0.00 0.00 43.42 40.92 1do9 n LEU 79 CO 0.26 -0.10 -0.02 1.41 -1.22 0.00 0.00 177.39 177.72 1do9 n HIS 80 N 3.68 -0.71 0.24 -1.77 8.25 -0.62 -4.68 115.22 119.60 1do9 n HIS 80 Ca 0.17 0.70 0.13 0.00 -0.26 0.00 0.00 57.72 58.45 1do9 n HIS 80 Cb 0.31 -1.96 0.46 0.00 1.12 0.00 0.00 29.99 29.92 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 0.85 0.00 0.00 -0.41 0.13 -1.92 -0.22 132.00 130.43 1do9 h PRO 81 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1do9 h PRO 81 Cb 1.41 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.54 1do9 h PRO 81 CO 0.52 0.12 0.00 -0.25 -0.23 0.00 0.00 178.00 178.16 1do9 n ASP 82 N -3.21 0.00 -0.30 1.44 9.92 -1.26 -3.63 116.55 119.52 1do9 n ASP 82 Ca 0.01 0.17 0.04 0.00 -0.53 0.00 0.00 54.79 54.49 1do9 n ASP 82 Cb 0.42 -0.38 0.06 0.00 -0.64 0.00 0.00 41.12 40.58 1do9 n ASP 82 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1do9 n ASP 83 N -1.38 1.02 -0.10 -2.24 8.00 -0.22 -3.58 116.55 118.05 1do9 n ASP 83 Ca 0.10 -2.43 -0.12 0.00 0.71 0.00 0.00 54.79 53.04 1do9 n ASP 83 Cb 0.25 -0.29 -0.15 0.00 -0.02 0.00 0.00 41.12 40.92 1do9 n ASP 83 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1do9 n ARG 84 N -0.61 0.68 -1.98 -1.24 1.85 -0.46 -4.54 116.66 110.35 1do9 n ARG 84 Ca 0.07 0.06 0.02 0.00 -1.00 0.00 0.00 57.85 57.00 1do9 n ARG 84 Cb 0.66 -1.54 0.04 0.00 -1.05 0.00 0.00 32.46 30.57 1do9 n ARG 84 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1do9 n SER 85 N -2.93 1.37 0.00 2.89 7.64 -1.26 -4.93 113.62 116.39 1do9 n SER 85 Ca -0.35 -2.15 0.00 0.00 1.01 0.00 0.00 58.87 57.38 1do9 n SER 85 Cb 1.10 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.92 1do9 n SER 85 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1do9 n LYS 86 N -0.02 0.00 -2.75 1.43 5.02 -1.26 -5.03 118.16 115.54 1do9 n LYS 86 Ca 0.08 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.18 1do9 n LYS 86 Cb 0.99 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 36.01 1do9 n LYS 86 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1do9 n LEU 87 N -2.49 -1.79 -3.08 -0.35 4.32 -1.23 -4.93 117.00 107.45 1do9 n LEU 87 Ca 0.00 -0.08 -0.09 0.00 -0.02 0.00 0.00 56.01 55.81 1do9 n LEU 87 Cb 0.00 -2.53 -0.03 0.00 -1.62 0.00 0.00 43.42 39.24 1do9 n LEU 87 CO 0.00 -0.01 -0.01 -0.55 -1.22 0.00 0.00 177.39 175.60 1do9 s SER 88 N -2.33 -0.48 0.08 -1.43 0.15 -1.26 -5.10 113.70 103.33 1do9 s SER 88 Ca 0.15 -1.74 -0.22 0.00 0.70 0.00 0.00 55.95 54.84 1do9 s SER 88 Cb -0.07 1.26 0.05 0.00 -1.71 0.00 0.00 66.02 65.55 1do9 s SER 88 CO 0.19 -0.14 0.53 -1.59 1.20 0.00 0.00 173.24 173.43 1do9 s LYS 89 N 1.04 1.11 0.00 5.44 -2.85 -1.26 -5.18 119.74 118.03 1do9 s LYS 89 Ca 0.25 -0.35 0.00 0.00 -1.00 0.00 0.00 55.97 54.87 1do9 s LYS 89 Cb -0.03 0.51 0.00 0.00 -2.06 0.00 0.00 37.83 36.24 1do9 s LYS 89 CO -0.07 -0.43 0.00 -0.35 0.10 0.00 0.00 175.35 174.60 1do9 n PRO 90 N 0.12 -0.32 0.03 1.78 -0.04 -1.26 -5.08 135.00 130.24 1do9 n PRO 90 Ca -0.18 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1do9 n PRO 90 Cb 0.62 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.08 1do9 n PRO 90 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1do9 n MET 91 N -1.14 0.02 -1.34 0.54 1.56 -1.26 -5.16 117.12 110.35 1do9 n MET 91 Ca 0.00 0.01 0.00 0.00 -0.27 0.00 0.00 57.70 57.44 1do9 n MET 91 Cb 0.00 -0.46 0.00 0.00 2.15 0.00 0.00 33.22 34.91 1do9 n MET 91 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1do9 n GLU 92 N -3.36 -3.86 -3.74 2.12 4.07 -1.26 -5.07 120.64 109.54 1do9 n GLU 92 Ca -0.01 2.87 -0.14 0.00 -0.06 0.00 0.00 57.16 59.83 1do9 n GLU 92 Cb 0.02 -3.23 -0.15 0.00 -0.06 0.00 0.00 31.44 28.03 1do9 n GLU 92 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1do9 s THR 93 N -3.16 -0.07 0.00 6.31 2.01 -1.26 -5.35 115.64 114.13 1do9 s THR 93 Ca 0.00 0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.20 1do9 s THR 93 Cb 0.00 -0.24 0.00 0.00 0.01 0.00 0.00 72.50 72.27 1do9 s THR 93 CO 0.00 0.08 0.00 -0.11 -0.69 0.00 0.00 174.62 173.90