#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 0.00 -1.77 0.11 5.02 -1.26 -4.85 118.16 115.41 1do9 n LYS 2 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 1do9 n LYS 2 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.06 1do9 n LYS 2 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1do9 s ASP 3 N 0.00 5.39 0.00 4.39 1.01 -1.26 -5.09 116.67 121.11 1do9 s ASP 3 Ca 0.00 1.28 0.00 0.00 0.71 0.00 0.00 52.55 54.54 1do9 s ASP 3 Cb 0.00 -2.12 0.00 0.00 1.01 0.00 0.00 42.92 41.81 1do9 s ASP 3 CO 0.00 -1.39 0.00 0.52 0.21 0.00 0.00 175.17 174.51 1do9 n VAL 4 N -3.06 0.00 0.03 -1.27 0.31 -1.26 -5.12 118.33 107.96 1do9 n VAL 4 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1do9 n VAL 4 Cb 0.56 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 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 0.00 -2.81 5.55 4.01 -1.26 -5.01 118.16 118.64 1do9 n LYS 5 Ca 0.00 0.00 -0.02 0.00 -0.51 0.00 0.00 58.31 57.78 1do9 n LYS 5 Cb 0.00 -0.22 -0.02 0.00 -0.51 0.00 0.00 35.03 34.28 1do9 n LYS 5 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1do9 n TYR 6 N -2.98 -2.96 -4.13 2.13 4.02 -1.26 -4.91 117.16 107.07 1do9 n TYR 6 Ca 0.00 1.55 -0.25 0.00 -0.01 0.00 0.00 57.90 59.19 1do9 n TYR 6 Cb 0.15 -3.06 -0.06 0.00 -0.02 0.00 0.00 39.34 36.36 1do9 n TYR 6 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1do9 s TYR 7 N -0.91 3.04 0.37 -0.72 2.02 -0.32 -4.83 117.35 116.00 1do9 s TYR 7 Ca -0.11 -0.08 -0.09 0.00 -0.37 0.00 0.00 57.07 56.42 1do9 s TYR 7 Cb 0.01 -1.43 -0.06 0.00 -0.40 0.00 0.00 41.96 40.07 1do9 s TYR 7 CO 0.55 0.53 0.70 0.95 -1.57 0.00 0.00 175.55 176.71 1do9 s THR 8 N -1.88 4.86 0.22 -0.71 -4.23 -1.26 -1.97 115.64 110.66 1do9 s THR 8 Ca 0.31 0.44 -0.08 0.00 -1.18 0.00 0.00 61.69 61.18 1do9 s THR 8 Cb -0.09 -3.73 0.16 0.00 1.34 0.00 0.00 72.50 70.17 1do9 s THR 8 CO 0.23 -0.46 1.77 -0.07 -0.54 0.00 0.00 174.62 175.55 1do9 h LEU 9 N 1.40 0.38 -0.26 4.79 -0.00 -1.97 -1.52 115.31 118.14 1do9 h LEU 9 Ca -0.47 0.06 0.05 0.00 -0.00 0.00 0.00 57.88 57.52 1do9 h LEU 9 Cb 1.19 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.80 1do9 h LEU 9 CO 0.65 0.23 -0.03 -0.33 -0.00 0.00 0.00 178.44 178.95 1do9 h GLU 10 N 0.54 0.03 -0.27 1.13 5.08 -1.99 -1.00 114.58 118.11 1do9 h GLU 10 Ca 0.32 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.71 1do9 h GLU 10 Cb 0.34 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1do9 h GLU 10 CO -0.27 0.02 0.07 1.49 -1.00 0.00 0.00 179.01 179.32 1do9 h GLU 11 N 0.03 0.17 -0.91 2.33 4.57 -1.70 -1.53 114.58 117.54 1do9 h GLU 11 Ca 0.12 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.30 1do9 h GLU 11 Cb 0.18 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.68 1do9 h GLU 11 CO -0.24 0.11 0.59 0.82 -1.18 0.00 0.00 179.01 179.12 1do9 h ILE 12 N 0.18 1.24 0.00 2.32 2.04 -0.86 0.25 117.51 122.67 1do9 h ILE 12 Ca 0.12 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 1do9 h ILE 12 Cb 0.11 -0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.09 1do9 h ILE 12 CO -0.14 0.24 -0.05 0.11 0.00 0.00 0.00 178.15 178.31 1do9 h LYS 13 N 1.24 0.00 -0.92 2.37 1.57 -0.41 -0.44 116.57 119.98 1do9 h LYS 13 Ca 0.33 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.98 1do9 h LYS 13 Cb -0.12 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.11 1do9 h LYS 13 CO -0.07 0.05 0.17 1.17 -0.57 0.00 0.00 179.45 180.20 1do9 n LYS 14 N -3.52 2.06 -1.23 3.15 4.81 0.85 -3.85 118.16 120.43 1do9 n LYS 14 Ca -0.02 -1.37 0.04 0.00 -0.87 0.00 0.00 58.31 56.08 1do9 n LYS 14 Cb 0.16 -1.66 0.09 0.00 0.02 0.00 0.00 35.03 33.64 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 -0.02 0.12 -3.39 5.64 8.25 -0.18 -4.92 115.22 120.72 1do9 n HIS 15 Ca 0.21 -0.98 -0.31 0.00 -0.26 0.00 0.00 57.72 56.38 1do9 n HIS 15 Cb 0.88 -0.20 -0.06 0.00 1.12 0.00 0.00 29.99 31.73 1do9 n HIS 15 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1do9 n ASN 16 N -0.18 4.26 -2.69 0.41 3.02 -1.25 -2.11 115.26 116.71 1do9 n ASN 16 Ca 0.12 -3.40 -0.14 0.00 -0.03 0.00 0.00 54.58 51.12 1do9 n ASN 16 Cb 0.96 -0.82 -0.05 0.00 -0.61 0.00 0.00 39.78 39.26 1do9 n ASN 16 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1do9 n HIS 17 N 1.12 -0.75 0.80 3.10 1.44 -0.70 -5.02 115.22 115.21 1do9 n HIS 17 Ca 0.28 -2.10 0.00 0.00 -2.01 0.00 0.00 57.72 53.88 1do9 n HIS 17 Cb 0.39 0.27 0.00 0.00 0.12 0.00 0.00 29.99 30.77 1do9 n HIS 17 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1do9 n SER 18 N -1.93 2.00 -1.00 4.39 2.88 -1.26 -3.23 113.62 115.47 1do9 n SER 18 Ca 0.05 -1.60 -0.06 0.00 -1.33 0.00 0.00 58.87 55.93 1do9 n SER 18 Cb 0.47 -0.40 -0.06 0.00 -0.75 0.00 0.00 64.21 63.46 1do9 n SER 18 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1do9 n LYS 19 N 0.48 0.00 0.00 -1.46 4.81 -1.26 -5.10 118.16 115.63 1do9 n LYS 19 Ca 0.00 -1.00 0.00 0.00 -0.87 0.00 0.00 58.31 56.44 1do9 n LYS 19 Cb 0.35 0.46 0.00 0.00 0.02 0.00 0.00 35.03 35.86 1do9 n LYS 19 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1do9 n SER 20 N 0.02 0.00 -3.55 3.14 7.64 -1.20 -5.09 113.62 114.59 1do9 n SER 20 Ca -0.26 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.33 1do9 n SER 20 Cb 0.71 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.79 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 -0.23 0.62 0.73 0.44 2.01 -1.18 -1.71 115.64 116.31 1do9 s THR 21 Ca 0.00 -2.08 -0.04 0.00 0.31 0.00 0.00 61.69 59.88 1do9 s THR 21 Cb 0.00 -1.44 0.11 0.00 0.01 0.00 0.00 72.50 71.18 1do9 s THR 21 CO 0.00 -0.97 1.02 0.26 -0.69 0.00 0.00 174.62 174.23 1do9 s TRP 22 N 0.74 2.02 -0.04 4.92 0.52 -0.90 -2.03 118.94 124.16 1do9 s TRP 22 Ca 0.19 -0.02 -0.30 0.00 0.02 0.00 0.00 56.10 55.99 1do9 s TRP 22 Cb -0.22 -3.16 0.11 0.00 -1.15 0.00 0.00 33.47 29.05 1do9 s TRP 22 CO -0.01 -1.67 1.04 -0.48 0.02 0.00 0.00 176.95 175.85 1do9 s LEU 23 N -5.22 -0.23 -0.35 2.99 0.05 -0.86 -0.97 118.68 114.09 1do9 s LEU 23 Ca 0.65 -0.07 -0.08 0.00 0.05 0.00 0.00 54.13 54.68 1do9 s LEU 23 Cb -0.07 1.77 0.04 0.00 -2.05 0.00 0.00 46.19 45.88 1do9 s LEU 23 CO 0.45 -0.50 0.13 -0.63 -0.55 0.00 0.00 176.35 175.25 1do9 s ILE 24 N -2.85 4.02 -0.45 1.48 1.09 -0.21 -1.69 121.20 122.59 1do9 s ILE 24 Ca 0.08 -1.04 -0.03 0.00 -1.10 0.00 0.00 60.65 58.55 1do9 s ILE 24 Cb -0.00 -3.26 0.12 0.00 -1.06 0.00 0.00 42.46 38.25 1do9 s ILE 24 CO -0.06 -0.19 0.26 -0.76 -0.10 0.00 0.00 174.94 174.09 1do9 s LEU 25 N 1.45 5.29 -0.30 2.97 1.43 -1.14 -2.09 118.68 126.29 1do9 s LEU 25 Ca -0.01 -2.17 -0.04 0.00 -1.03 0.00 0.00 54.13 50.89 1do9 s LEU 25 Cb -0.19 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.18 1do9 s LEU 25 CO 0.04 -0.53 0.14 0.00 0.23 0.00 0.00 176.35 176.24 1do9 n HIS 26 N 4.42 -3.35 -3.15 0.29 1.44 -1.26 -3.71 115.22 109.90 1do9 n HIS 26 Ca -0.01 1.45 -0.21 0.00 -2.01 0.00 0.00 57.72 56.94 1do9 n HIS 26 Cb 0.41 -3.70 -0.04 0.00 0.12 0.00 0.00 29.99 26.77 1do9 n HIS 26 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 1do9 n HIS 27 N 0.35 -0.61 -4.08 -1.40 1.44 -1.26 -4.87 115.22 104.78 1do9 n HIS 27 Ca 0.03 0.35 -0.09 0.00 -2.01 0.00 0.00 57.72 56.00 1do9 n HIS 27 Cb 0.11 -1.06 -0.09 0.00 0.12 0.00 0.00 29.99 29.07 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 -4.44 0.91 -0.12 -1.40 3.01 -1.24 -3.54 119.74 112.92 1do9 s LYS 28 Ca 0.36 -1.32 0.01 0.00 -1.01 0.00 0.00 55.97 54.01 1do9 s LYS 28 Cb -0.21 0.27 0.02 0.00 -1.01 0.00 0.00 37.83 36.90 1do9 s LYS 28 CO 0.53 -0.27 -0.12 0.08 0.51 0.00 0.00 175.35 176.08 1do9 s VAL 29 N -4.00 1.35 0.27 3.17 1.01 -0.65 -2.88 120.40 118.67 1do9 s VAL 29 Ca 0.19 -0.52 0.10 0.00 0.00 0.00 0.00 61.98 61.75 1do9 s VAL 29 Cb 0.07 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 35.12 1do9 s VAL 29 CO -0.01 0.42 -0.16 -0.31 0.00 0.00 0.00 175.10 175.03 1do9 s TYR 30 N 1.32 2.15 -0.20 5.22 2.02 -0.68 -1.53 117.35 125.65 1do9 s TYR 30 Ca -0.00 -0.43 -0.02 0.00 -0.37 0.00 0.00 57.07 56.24 1do9 s TYR 30 Cb -0.14 -1.01 0.06 0.00 -0.40 0.00 0.00 41.96 40.48 1do9 s TYR 30 CO -0.06 0.59 0.02 0.34 -1.57 0.00 0.00 175.55 174.88 1do9 s ASP 31 N -3.47 3.04 -0.15 2.29 -1.08 0.12 -2.02 116.67 115.40 1do9 s ASP 31 Ca 0.29 -0.87 0.18 0.00 -0.52 0.00 0.00 52.55 51.62 1do9 s ASP 31 Cb -0.02 -0.68 0.34 0.00 -1.46 0.00 0.00 42.92 41.10 1do9 s ASP 31 CO 0.13 -0.30 1.20 0.18 0.52 0.00 0.00 175.17 176.91 1do9 n LEU 32 N 5.00 2.63 0.28 -1.34 4.77 -0.86 -4.66 117.00 122.82 1do9 n LEU 32 Ca -0.09 -3.15 0.18 0.00 -0.03 0.00 0.00 56.01 52.92 1do9 n LEU 32 Cb 0.47 -0.46 0.92 0.00 -2.33 0.00 0.00 43.42 42.02 1do9 n LEU 32 CO 0.14 0.77 1.15 0.00 -1.33 0.00 0.00 177.39 178.11 1do9 h THR 33 N 0.35 0.16 -0.00 -5.08 1.03 -1.93 0.87 112.91 108.31 1do9 h THR 33 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 1do9 h THR 33 Cb 1.08 0.79 0.00 0.00 -1.07 0.00 0.00 68.15 68.95 1do9 h THR 33 CO 0.04 0.00 -0.13 1.17 -0.01 0.00 0.00 175.52 176.59 1do9 n LYS 34 N -3.26 2.41 0.01 0.00 0.00 -1.26 -4.42 118.16 111.64 1do9 n LYS 34 Ca -0.00 -0.46 0.11 0.00 0.00 0.00 0.00 58.31 57.95 1do9 n LYS 34 Cb 0.31 -0.96 -0.07 0.00 0.00 0.00 0.00 35.03 34.31 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 -0.36 0.13 0.01 5.64 7.35 -0.16 -4.40 117.46 125.67 1do9 n PHE 35 Ca 0.03 0.04 -0.13 0.00 -0.76 0.00 0.00 57.45 56.63 1do9 n PHE 35 Cb 0.13 -0.35 -0.08 0.00 0.35 0.00 0.00 39.48 39.53 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 -1.43 -1.65 -2.13 4.07 -1.12 0.80 115.31 113.84 1do9 h LEU 36 Ca 0.00 0.17 -0.01 0.00 0.08 0.00 0.00 57.88 58.12 1do9 h LEU 36 Cb 0.75 0.55 -0.00 0.00 1.08 0.00 0.00 40.66 43.04 1do9 h LEU 36 CO 0.00 -0.42 -0.03 1.05 -1.08 0.00 0.00 178.44 177.96 1do9 h GLU 37 N -0.51 0.00 -0.19 1.13 4.11 -1.87 -2.47 114.58 114.78 1do9 h GLU 37 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 1do9 h GLU 37 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1do9 h GLU 37 CO -0.35 0.03 0.00 0.39 0.07 0.00 0.00 179.01 179.16 1do9 n GLU 38 N -3.16 1.85 -3.16 1.06 1.02 0.15 -4.88 120.64 113.52 1do9 n GLU 38 Ca -0.00 -1.28 -0.41 0.00 -0.02 0.00 0.00 57.16 55.46 1do9 n GLU 38 Cb 0.28 -1.41 -0.07 0.00 -0.02 0.00 0.00 31.44 30.22 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 -1.76 3.24 -0.93 -0.32 2.46 0.25 -4.98 115.29 113.26 1do9 s HIS 39 Ca 0.33 0.62 -0.24 0.00 0.47 0.00 0.00 55.06 56.23 1do9 s HIS 39 Cb 0.18 -2.86 -0.04 0.00 -0.13 0.00 0.00 32.58 29.73 1do9 s HIS 39 CO 0.27 -0.38 1.91 -1.25 -2.47 0.00 0.00 174.74 172.82 1do9 s PRO 40 N 2.47 2.63 0.00 2.88 0.04 -1.26 -3.67 135.00 138.09 1do9 s PRO 40 Ca 0.23 -0.41 0.00 0.00 0.04 0.00 0.00 61.00 60.86 1do9 s PRO 40 Cb -0.15 -5.10 0.00 0.00 0.04 0.00 0.00 34.50 29.29 1do9 s PRO 40 CO 0.10 -3.33 0.00 0.41 0.04 0.00 0.00 177.00 174.22 1do9 n GLY 41 N 6.78 -0.03 3.63 0.56 0.00 -1.26 -5.12 105.19 109.75 1do9 n GLY 41 Ca 0.40 0.19 -0.12 0.00 0.00 0.00 0.00 46.02 46.48 1do9 n GLY 41 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1do9 s GLY 42 N 0.00 1.05 0.00 -0.02 0.00 -1.24 -5.07 107.32 102.03 1do9 s GLY 42 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.51 1do9 s GLY 42 CO 0.00 -0.71 0.00 -1.84 0.00 0.00 0.00 173.10 170.55 1do9 n GLU 43 N -0.57 0.00 0.06 2.90 0.28 -1.26 -4.55 120.64 117.51 1do9 n GLU 43 Ca -0.03 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.93 1do9 n GLU 43 Cb 0.61 -0.61 0.18 0.00 1.43 0.00 0.00 31.44 33.04 1do9 n GLU 43 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 177.13 178.02 1do9 h GLU 44 N 0.00 0.33 -0.64 3.44 4.11 -1.98 -0.58 114.58 119.26 1do9 h GLU 44 Ca 0.00 -0.17 0.18 0.00 0.07 0.00 0.00 59.36 59.44 1do9 h GLU 44 Cb 0.38 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1do9 h GLU 44 CO 0.00 0.71 0.46 -0.39 0.07 0.00 0.00 179.01 179.85 1do9 h VAL 45 N 0.27 0.69 0.00 -1.06 -1.51 -2.00 0.14 116.25 112.78 1do9 h VAL 45 Ca 0.02 -0.01 -0.12 0.00 -1.23 0.00 0.00 66.70 65.37 1do9 h VAL 45 Cb 0.88 0.67 -0.02 0.00 -2.13 0.00 0.00 31.29 30.69 1do9 h VAL 45 CO 0.07 0.00 -0.56 -0.07 -1.23 0.00 0.00 177.57 175.79 1do9 h LEU 46 N 0.02 0.00 -0.47 4.19 3.38 -1.42 -2.66 115.31 118.35 1do9 h LEU 46 Ca 0.30 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.13 1do9 h LEU 46 Cb 1.20 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 1do9 h LEU 46 CO -0.01 0.56 -0.67 0.03 0.09 0.00 0.00 178.44 178.44 1do9 h ARG 47 N 0.00 0.00 0.00 1.13 3.08 -0.76 -2.63 114.38 115.20 1do9 h ARG 47 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1do9 h ARG 47 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 1do9 h ARG 47 CO 0.07 0.67 0.00 0.93 -1.07 0.00 0.00 179.97 180.57 1do9 h GLU 48 N 0.00 0.00 0.00 0.04 5.08 -0.75 -1.92 114.58 117.03 1do9 h GLU 48 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1do9 h GLU 48 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1do9 h GLU 48 CO 0.09 0.00 -0.00 1.04 -1.00 0.00 0.00 179.01 179.13 1do9 n GLN 49 N -2.47 2.58 -1.69 2.33 1.13 -1.20 -5.02 117.38 113.05 1do9 n GLN 49 Ca 0.00 -1.62 -0.43 0.00 -1.94 0.00 0.00 57.00 53.02 1do9 n GLN 49 Cb 0.17 -1.05 -0.01 0.00 0.11 0.00 0.00 30.24 29.46 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 1.20 -1.95 -1.58 0.00 -0.72 -1.05 120.51 115.79 1do9 n ALA 50 Ca 0.02 0.37 -0.13 0.00 0.00 0.00 0.00 53.44 53.71 1do9 n ALA 50 Cb 0.32 -2.25 -0.03 0.00 0.00 0.00 0.00 19.45 17.50 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 1.13 0.28 3.32 0.00 0.00 -0.14 -4.90 105.19 104.88 1do9 n GLY 51 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 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 1.58 -1.08 -0.02 0.00 -0.21 -4.46 107.32 101.07 1do9 s GLY 52 Ca 0.00 -1.67 -0.19 0.00 0.00 0.00 0.00 44.72 42.86 1do9 s GLY 52 CO 0.00 -1.25 1.41 0.51 0.00 0.00 0.00 173.10 173.77 1do9 s ASP 53 N -3.21 6.70 0.00 1.64 1.47 -1.26 -1.05 116.67 120.96 1do9 s ASP 53 Ca 0.36 -2.08 0.29 0.00 1.18 0.00 0.00 52.55 52.31 1do9 s ASP 53 Cb 0.04 -2.50 1.34 0.00 -0.34 0.00 0.00 42.92 41.46 1do9 s ASP 53 CO 0.17 -1.19 1.96 0.00 0.68 0.00 0.00 175.17 176.80 1do9 n ALA 54 N 7.59 2.50 -0.11 2.11 0.00 -0.89 -3.90 120.51 127.81 1do9 n ALA 54 Ca 0.34 -0.15 0.09 0.00 0.00 0.00 0.00 53.44 53.72 1do9 n ALA 54 Cb 0.48 -1.45 0.43 0.00 0.00 0.00 0.00 19.45 18.91 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 0.05 0.98 -0.61 0.00 2.02 -1.87 -0.22 112.91 113.26 1do9 h THR 55 Ca 0.00 -0.20 0.11 0.00 0.77 0.00 0.00 66.41 67.10 1do9 h THR 55 Cb 0.38 0.35 -0.09 0.00 -1.74 0.00 0.00 68.15 67.06 1do9 h THR 55 CO 0.00 0.10 0.15 -0.33 0.37 0.00 0.00 175.52 175.81 1do9 h GLU 56 N 0.57 0.28 -0.01 6.66 5.08 -1.93 0.35 114.58 125.58 1do9 h GLU 56 Ca 0.27 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1do9 h GLU 56 Cb 0.34 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1do9 h GLU 56 CO -0.08 0.18 -0.02 -0.91 -1.00 0.00 0.00 179.01 177.18 1do9 h ASN 57 N 0.29 0.03 -0.99 1.42 4.21 -1.39 -0.67 115.58 118.48 1do9 h ASN 57 Ca 0.32 -0.53 0.25 0.00 1.21 0.00 0.00 56.30 57.54 1do9 h ASN 57 Cb 0.47 -0.01 -0.08 0.00 -1.12 0.00 0.00 38.32 37.58 1do9 h ASN 57 CO -0.39 0.56 0.65 0.15 -1.29 0.00 0.00 177.43 177.11 1do9 h PHE 58 N -0.50 0.53 0.13 1.19 3.04 -0.36 -1.34 116.94 119.62 1do9 h PHE 58 Ca 0.00 0.02 -0.31 0.00 3.98 0.00 0.00 57.97 61.66 1do9 h PHE 58 Cb 0.55 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 38.90 1do9 h PHE 58 CO 0.11 0.09 -1.59 0.93 -2.02 0.00 0.00 178.31 175.83 1do9 h GLU 59 N 0.35 0.27 -0.39 1.11 4.39 -0.95 -3.15 114.58 116.22 1do9 h GLU 59 Ca 0.53 -0.45 0.07 0.00 0.34 0.00 0.00 59.36 59.85 1do9 h GLU 59 Cb 1.43 0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 30.19 1do9 h GLU 59 CO -0.21 1.22 -0.01 -0.44 -1.16 0.00 0.00 179.01 178.40 1do9 h ASP 60 N -0.19 -0.19 -0.59 1.42 5.19 -0.57 0.16 116.42 121.65 1do9 h ASP 60 Ca -0.34 0.09 -0.07 0.00 -0.62 0.00 0.00 57.03 56.09 1do9 h ASP 60 Cb 1.86 0.17 -0.03 0.00 0.18 0.00 0.00 39.33 41.51 1do9 h ASP 60 CO 0.07 -0.06 0.09 1.62 -3.12 0.00 0.00 179.24 177.85 1do9 h VAL 61 N 0.09 1.25 -1.51 -1.35 3.04 -1.43 -3.47 116.25 112.87 1do9 h VAL 61 Ca 0.19 -1.00 0.00 0.00 -1.01 0.00 0.00 66.70 64.88 1do9 h VAL 61 Cb 0.27 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 30.23 1do9 h VAL 61 CO -0.33 0.37 0.00 0.61 -1.01 0.00 0.00 177.57 177.21 1do9 n GLY 62 N -0.64 0.76 3.41 3.17 0.00 0.04 -5.01 105.19 106.92 1do9 n GLY 62 Ca 0.04 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.76 -1.31 -1.04 1.61 8.25 -1.19 -4.99 115.22 115.80 1do9 n HIS 63 Ca 0.00 0.22 -0.30 0.00 -0.26 0.00 0.00 57.72 57.38 1do9 n HIS 63 Cb 0.28 -1.76 0.15 0.00 1.12 0.00 0.00 29.99 29.78 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 -2.04 3.19 0.09 0.41 0.01 -1.26 -4.94 113.70 109.15 1do9 s SER 64 Ca 0.57 1.66 -0.14 0.00 1.31 0.00 0.00 55.95 59.36 1do9 s SER 64 Cb -0.20 -2.30 -0.19 0.00 0.21 0.00 0.00 66.02 63.54 1do9 s SER 64 CO 0.67 -2.84 1.25 0.74 0.41 0.00 0.00 173.24 173.47 1do9 h THR 65 N -1.69 1.28 -0.27 1.44 2.02 -2.00 -2.83 112.91 110.87 1do9 h THR 65 Ca -0.49 -2.07 0.08 0.00 0.77 0.00 0.00 66.41 64.70 1do9 h THR 65 Cb 1.28 2.16 -0.01 0.00 -1.74 0.00 0.00 68.15 69.84 1do9 h THR 65 CO 0.51 0.65 0.21 0.44 0.37 0.00 0.00 175.52 177.70 1do9 h ASP 66 N 0.45 0.00 -0.25 4.18 3.32 -2.00 0.12 116.42 122.24 1do9 h ASP 66 Ca -0.08 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.80 1do9 h ASP 66 Cb 1.50 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.05 1do9 h ASP 66 CO 0.17 0.00 -0.47 0.00 -1.72 0.00 0.00 179.24 177.22 1do9 h ALA 67 N 1.83 0.59 0.00 3.45 0.00 -1.88 -1.05 119.26 122.20 1do9 h ALA 67 Ca 0.13 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1do9 h ALA 67 Cb 0.55 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1do9 h ALA 67 CO -0.00 0.68 -0.00 -0.09 0.00 0.00 0.00 179.25 179.83 1do9 h ARG 68 N 0.65 0.00 0.09 0.00 9.65 -0.58 -3.09 114.38 121.10 1do9 h ARG 68 Ca 0.03 0.00 -0.37 0.00 -1.10 0.00 0.00 59.98 58.54 1do9 h ARG 68 Cb 1.05 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.60 1do9 h ARG 68 CO 0.10 0.00 -2.14 0.39 2.80 0.00 0.00 179.97 181.13 1do9 n GLU 69 N -3.11 0.73 0.05 0.20 -0.58 -0.65 -3.81 120.64 113.47 1do9 n GLU 69 Ca -0.02 0.23 0.18 0.00 -0.42 0.00 0.00 57.16 57.13 1do9 n GLU 69 Cb 0.12 -1.66 0.70 0.00 -0.57 0.00 0.00 31.44 30.03 1do9 n GLU 69 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1do9 h LEU 70 N 0.05 0.00 -1.28 -4.62 3.38 -1.23 0.48 115.31 112.09 1do9 h LEU 70 Ca -0.47 0.00 0.21 0.00 0.09 0.00 0.00 57.88 57.71 1do9 h LEU 70 Cb 2.00 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.66 1do9 h LEU 70 CO 0.04 0.00 0.62 0.77 0.09 0.00 0.00 178.44 179.96 1do9 h SER 71 N 0.00 0.56 -0.35 -0.43 4.64 -1.64 -0.37 113.55 115.97 1do9 h SER 71 Ca 0.21 0.07 0.03 0.00 -0.47 0.00 0.00 61.79 61.63 1do9 h SER 71 Cb 0.85 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.89 1do9 h SER 71 CO -0.00 0.19 0.23 0.50 -0.87 0.00 0.00 176.83 176.88 1do9 h LYS 72 N 0.54 0.34 -0.53 4.77 1.63 -1.09 0.61 116.57 122.85 1do9 h LYS 72 Ca 0.54 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.32 1do9 h LYS 72 Cb 1.15 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.70 1do9 h LYS 72 CO -0.28 0.23 0.00 -2.37 -3.45 0.00 0.00 179.45 173.57 1do9 n THR 73 N -4.49 0.89 0.00 1.00 5.66 -0.15 -4.04 114.28 113.15 1do9 n THR 73 Ca 0.03 -0.65 0.00 0.00 -3.05 0.00 0.00 64.05 60.38 1do9 n THR 73 Cb 0.16 0.10 0.00 0.00 -1.55 0.00 0.00 70.33 69.03 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 0.65 0.00 -1.79 1.09 3.72 -0.15 -5.02 117.46 115.96 1do9 n PHE 74 Ca 0.15 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.13 1do9 n PHE 74 Cb 0.50 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.01 1do9 n PHE 74 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 1do9 s ILE 75 N -1.05 2.22 0.00 4.37 2.07 0.03 -0.70 121.20 128.13 1do9 s ILE 75 Ca 0.00 0.15 0.00 0.00 -1.41 0.00 0.00 60.65 59.39 1do9 s ILE 75 Cb 0.00 -3.09 0.00 0.00 0.13 0.00 0.00 42.46 39.50 1do9 s ILE 75 CO 0.00 0.01 0.78 2.30 -1.91 0.00 0.00 174.94 176.13 1do9 n ILE 76 N 4.00 0.59 -3.68 2.00 -6.64 -0.58 -4.90 119.36 110.15 1do9 n ILE 76 Ca 0.15 -0.77 0.00 0.00 -1.77 0.00 0.00 62.75 60.36 1do9 n ILE 76 Cb 0.36 0.73 0.00 0.00 -1.44 0.00 0.00 39.64 39.29 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 -0.29 -0.97 3.18 3.28 0.00 -1.16 -4.53 105.19 104.70 1do9 n GLY 77 Ca 0.00 -1.25 -0.11 0.00 0.00 0.00 0.00 46.02 44.66 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 1.07 0.14 1.61 2.02 -1.26 -1.64 118.70 118.64 1do9 s GLU 78 Ca 0.00 -1.52 -0.31 0.00 0.02 0.00 0.00 54.97 53.16 1do9 s GLU 78 Cb 0.00 0.26 -0.08 0.00 0.10 0.00 0.00 34.13 34.41 1do9 s GLU 78 CO 0.00 -0.33 1.32 -0.51 0.02 0.00 0.00 175.26 175.77 1do9 s LEU 79 N -3.10 4.39 0.98 1.80 1.02 -1.23 -1.17 118.68 121.37 1do9 s LEU 79 Ca 0.31 2.31 -0.11 0.00 0.02 0.00 0.00 54.13 56.66 1do9 s LEU 79 Cb 0.07 -3.60 0.16 0.00 0.02 0.00 0.00 46.19 42.84 1do9 s LEU 79 CO 0.07 -0.57 0.97 1.41 0.02 0.00 0.00 176.35 178.25 1do9 n HIS 80 N 3.35 0.06 -2.19 0.29 8.25 -0.83 -4.50 115.22 119.65 1do9 n HIS 80 Ca 0.09 0.27 -0.31 0.00 -0.26 0.00 0.00 57.72 57.50 1do9 n HIS 80 Cb 0.43 -1.90 -0.05 0.00 1.12 0.00 0.00 29.99 29.60 1do9 n HIS 80 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1do9 s PRO 81 N -4.40 2.84 0.00 -0.41 0.04 -1.26 -2.92 135.00 128.88 1do9 s PRO 81 Ca 0.65 -0.87 0.00 0.00 0.04 0.00 0.00 61.00 60.82 1do9 s PRO 81 Cb -0.23 -5.21 0.00 0.00 0.04 0.00 0.00 34.50 29.10 1do9 s PRO 81 CO 0.61 -3.28 0.00 -0.25 0.04 0.00 0.00 177.00 174.12 1do9 n ASP 82 N 12.76 0.00 -0.03 6.66 9.92 -1.26 -4.96 116.55 139.64 1do9 n ASP 82 Ca 0.41 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.65 1do9 n ASP 82 Cb 0.47 0.08 -0.05 0.00 -0.64 0.00 0.00 41.12 40.98 1do9 n ASP 82 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1do9 n ASP 83 N -1.42 3.34 0.23 -2.24 -0.08 -1.17 -3.94 116.55 111.28 1do9 n ASP 83 Ca 0.00 0.00 0.18 0.00 -1.51 0.00 0.00 54.79 53.46 1do9 n ASP 83 Cb 0.00 0.72 0.84 0.00 2.34 0.00 0.00 41.12 45.02 1do9 n ASP 83 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 1do9 h ARG 84 N 0.00 0.00 0.00 -0.67 -0.00 -1.76 0.22 114.38 112.18 1do9 h ARG 84 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.81 1do9 h ARG 84 Cb 1.33 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.30 1do9 h ARG 84 CO 0.01 0.00 -0.75 0.45 -0.00 0.00 0.00 179.97 179.68 1do9 n SER 85 N -3.45 0.87 -0.00 0.08 2.88 -1.26 -4.76 113.62 107.98 1do9 n SER 85 Ca 0.02 -0.63 -0.00 0.00 -1.33 0.00 0.00 58.87 56.92 1do9 n SER 85 Cb 0.39 1.11 -0.00 0.00 -0.75 0.00 0.00 64.21 64.96 1do9 n SER 85 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1do9 n LYS 86 N -1.40 0.02 0.00 -1.46 5.02 -0.07 -4.97 118.16 115.30 1do9 n LYS 86 Ca 0.01 0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 1do9 n LYS 86 Cb 0.21 -0.66 0.00 0.00 -0.02 0.00 0.00 35.03 34.56 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 -2.44 0.00 -4.69 -0.35 4.77 0.59 -4.80 117.00 110.09 1do9 n LEU 87 Ca -0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.55 1do9 n LEU 87 Cb 0.01 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1do9 n LEU 87 CO 0.00 0.00 0.96 -0.44 -1.33 0.00 0.00 177.39 176.59 1do9 s SER 88 N 0.00 7.04 -0.06 -1.43 0.01 -1.26 -5.03 113.70 112.96 1do9 s SER 88 Ca 0.00 1.84 -0.04 0.00 1.31 0.00 0.00 55.95 59.06 1do9 s SER 88 Cb 0.00 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.70 1do9 s SER 88 CO 0.00 -0.59 0.15 -1.59 0.41 0.00 0.00 173.24 171.62 1do9 s LYS 89 N 2.20 0.12 -0.05 12.44 -2.85 -1.26 -5.06 119.74 125.27 1do9 s LYS 89 Ca 0.56 0.34 -0.25 0.00 -1.00 0.00 0.00 55.97 55.62 1do9 s LYS 89 Cb -0.25 -0.11 -0.20 0.00 -2.06 0.00 0.00 37.83 35.21 1do9 s LYS 89 CO 0.22 -0.13 1.10 -1.00 0.10 0.00 0.00 175.35 175.64 1do9 h PRO 90 N 6.89 -0.06 -2.49 1.78 0.13 -2.03 -3.50 132.00 132.73 1do9 h PRO 90 Ca -0.38 0.00 0.28 0.00 -0.87 0.00 0.00 66.00 65.03 1do9 h PRO 90 Cb 1.16 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.20 1do9 h PRO 90 CO 0.42 0.50 -0.61 -0.12 -0.23 0.00 0.00 178.00 177.97 1do9 n MET 91 N -4.84 -2.30 -3.93 0.86 1.56 -1.26 -5.06 117.12 102.15 1do9 n MET 91 Ca -0.09 1.67 -0.09 0.00 -0.27 0.00 0.00 57.70 58.93 1do9 n MET 91 Cb 0.29 -2.76 -0.05 0.00 2.15 0.00 0.00 33.22 32.86 1do9 n MET 91 CO 0.00 0.00 0.00 -2.00 -0.73 0.00 0.00 175.97 173.24 1do9 s GLU 92 N -2.69 1.55 0.07 2.12 2.12 -1.26 -5.19 118.70 115.42 1do9 s GLU 92 Ca 0.00 -1.14 -0.00 0.00 0.36 0.00 0.00 54.97 54.18 1do9 s GLU 92 Cb 0.00 0.50 -0.04 0.00 0.26 0.00 0.00 34.13 34.85 1do9 s GLU 92 CO 0.00 -0.66 -0.03 0.99 -0.54 0.00 0.00 175.26 175.02 1do9 s THR 93 N -3.98 0.33 -2.00 -1.70 2.01 -1.26 -5.33 115.64 103.71 1do9 s THR 93 Ca 0.18 -1.84 0.27 0.00 0.31 0.00 0.00 61.69 60.61 1do9 s THR 93 Cb -0.02 -1.58 0.78 0.00 0.01 0.00 0.00 72.50 71.69 1do9 s THR 93 CO 0.07 -0.95 1.99 -0.11 -0.69 0.00 0.00 174.62 174.93