#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 0.53 -4.00 -1.24 5.02 -1.26 -5.11 118.16 112.10 1do9 n LYS 2 Ca 0.00 -2.32 -0.09 0.00 -2.02 0.00 0.00 58.31 53.88 1do9 n LYS 2 Cb 0.00 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.41 1do9 n LYS 2 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1do9 s ASP 3 N -0.01 0.29 0.00 4.39 -4.77 -1.26 -5.15 116.67 110.16 1do9 s ASP 3 Ca 0.31 -0.57 0.00 0.00 -3.30 0.00 0.00 52.55 49.00 1do9 s ASP 3 Cb 0.07 0.11 0.00 0.00 -1.09 0.00 0.00 42.92 42.01 1do9 s ASP 3 CO -0.13 -0.34 0.00 0.52 0.70 0.00 0.00 175.17 175.93 1do9 n VAL 4 N 1.40 0.00 0.00 2.11 0.31 -1.26 -5.09 118.33 115.80 1do9 n VAL 4 Ca -0.23 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 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 1.17 -1.32 0.00 0.00 176.83 176.68 1do9 n LYS 5 N 0.00 0.09 -2.75 5.55 3.00 -1.26 -5.01 118.16 117.78 1do9 n LYS 5 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.27 1do9 n LYS 5 Cb 0.00 -0.96 -0.03 0.00 0.00 0.00 0.00 35.03 34.03 1do9 n LYS 5 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1do9 n TYR 6 N -2.41 -3.16 -4.34 5.64 4.01 -1.25 -4.90 117.16 110.74 1do9 n TYR 6 Ca 0.00 1.82 -0.24 0.00 -0.16 0.00 0.00 57.90 59.33 1do9 n TYR 6 Cb 0.46 -3.06 -0.08 0.00 -0.31 0.00 0.00 39.34 36.35 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 -0.51 2.57 0.18 -0.72 2.02 -0.75 -4.86 117.35 115.28 1do9 s TYR 7 Ca -0.20 -0.25 -0.06 0.00 -0.37 0.00 0.00 57.07 56.19 1do9 s TYR 7 Cb 0.01 -1.15 -0.06 0.00 -0.40 0.00 0.00 41.96 40.36 1do9 s TYR 7 CO 0.56 0.63 0.43 0.95 -1.57 0.00 0.00 175.55 176.55 1do9 s THR 8 N -2.27 5.10 0.13 -0.71 -4.23 -1.26 -1.51 115.64 110.88 1do9 s THR 8 Ca 0.30 0.13 -0.32 0.00 -1.18 0.00 0.00 61.69 60.62 1do9 s THR 8 Cb -0.06 -3.63 -0.09 0.00 1.34 0.00 0.00 72.50 70.05 1do9 s THR 8 CO 0.18 -0.02 1.56 -0.07 -0.54 0.00 0.00 174.62 175.72 1do9 h LEU 9 N 2.64 -1.73 -0.93 4.79 -0.00 -1.98 0.25 115.31 118.35 1do9 h LEU 9 Ca -0.46 0.23 0.27 0.00 -0.00 0.00 0.00 57.88 57.92 1do9 h LEU 9 Cb 1.17 0.71 -0.15 0.00 -0.00 0.00 0.00 40.66 42.39 1do9 h LEU 9 CO 0.71 -0.42 0.33 -0.33 -0.00 0.00 0.00 178.44 178.74 1do9 h GLU 10 N -0.43 0.21 -0.02 1.13 5.08 -1.97 0.38 114.58 118.97 1do9 h GLU 10 Ca 0.08 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1do9 h GLU 10 Cb 0.62 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1do9 h GLU 10 CO -0.55 0.14 -0.01 1.49 -1.00 0.00 0.00 179.01 179.08 1do9 h GLU 11 N 0.22 -0.01 -0.93 2.33 4.57 -0.94 -1.02 114.58 118.81 1do9 h GLU 11 Ca 0.62 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.86 1do9 h GLU 11 Cb 1.34 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.87 1do9 h GLU 11 CO -0.66 -0.01 0.60 0.82 -1.18 0.00 0.00 179.01 178.58 1do9 h ILE 12 N -0.01 1.10 0.00 2.32 2.04 0.79 0.25 117.51 124.00 1do9 h ILE 12 Ca 0.01 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1do9 h ILE 12 Cb 0.03 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.02 1do9 h ILE 12 CO -0.03 0.20 0.00 0.29 0.00 0.00 0.00 178.15 178.61 1do9 n LYS 13 N -4.48 0.08 0.08 2.37 4.76 -0.15 -1.29 118.16 119.53 1do9 n LYS 13 Ca 0.14 0.20 0.12 0.00 -2.87 0.00 0.00 58.31 55.90 1do9 n LYS 13 Cb 0.16 -1.50 0.18 0.00 -1.84 0.00 0.00 35.03 32.04 1do9 n LYS 13 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1do9 h LYS 14 N 0.00 0.00 -4.38 1.97 1.57 0.81 -3.42 116.57 113.11 1do9 h LYS 14 Ca 0.00 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.14 1do9 h LYS 14 Cb 0.22 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.14 1do9 h LYS 14 CO 0.00 0.00 -0.74 -1.01 -0.57 0.00 0.00 179.45 177.13 1do9 s HIS 15 N -3.18 3.05 -0.07 -1.35 0.09 -0.42 -4.87 115.29 108.55 1do9 s HIS 15 Ca 0.06 -2.49 0.03 0.00 -0.00 0.00 0.00 55.06 52.66 1do9 s HIS 15 Cb 0.12 -2.39 0.08 0.00 -0.00 0.00 0.00 32.58 30.39 1do9 s HIS 15 CO 0.71 -0.91 1.10 0.27 -0.00 0.00 0.00 174.74 175.92 1do9 n ASN 16 N 4.46 -1.09 -4.71 1.40 0.23 0.82 -3.09 115.26 113.29 1do9 n ASN 16 Ca -0.01 -2.03 -0.30 0.00 -0.53 0.00 0.00 54.58 51.72 1do9 n ASN 16 Cb 0.42 0.38 -0.09 0.00 -2.08 0.00 0.00 39.78 38.41 1do9 n ASN 16 CO 0.00 0.00 0.00 -1.38 -0.93 0.00 0.00 177.26 174.95 1do9 s HIS 17 N 0.03 2.19 0.42 -2.53 -3.43 0.16 -4.82 115.29 107.31 1do9 s HIS 17 Ca 0.02 -0.80 0.16 0.00 -0.80 0.00 0.00 55.06 53.65 1do9 s HIS 17 Cb 0.09 -1.73 1.06 0.00 -1.43 0.00 0.00 32.58 30.57 1do9 s HIS 17 CO -0.03 0.28 1.87 1.03 -2.00 0.00 0.00 174.74 175.90 1do9 h SER 18 N 1.50 0.42 -0.68 7.38 0.87 -2.01 0.37 113.55 121.41 1do9 h SER 18 Ca -0.44 0.04 -0.38 0.00 -1.23 0.00 0.00 61.79 59.78 1do9 h SER 18 Cb 1.28 -0.04 -0.21 0.00 -0.44 0.00 0.00 62.40 62.99 1do9 h SER 18 CO 0.76 0.18 0.48 0.29 -0.53 0.00 0.00 176.83 178.02 1do9 n LYS 19 N -4.51 1.92 0.00 2.24 4.01 -1.26 -4.59 118.16 115.97 1do9 n LYS 19 Ca 0.18 -2.08 0.00 0.00 -0.51 0.00 0.00 58.31 55.90 1do9 n LYS 19 Cb 0.64 -1.82 0.00 0.00 -0.51 0.00 0.00 35.03 33.34 1do9 n LYS 19 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1do9 n SER 20 N -0.49 0.00 -4.12 4.39 7.64 0.13 -4.99 113.62 116.17 1do9 n SER 20 Ca 0.41 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.91 1do9 n SER 20 Cb 1.12 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 64.27 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 0.00 3.49 -2.14 0.44 -1.04 -1.05 0.39 114.28 114.37 1do9 n THR 21 Ca 0.00 -5.24 -0.27 0.00 -2.04 0.00 0.00 64.05 56.51 1do9 n THR 21 Cb 0.00 -2.39 0.09 0.00 -1.82 0.00 0.00 70.33 66.21 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 -1.52 2.58 -0.08 -1.42 0.52 -1.18 -1.80 118.94 116.05 1do9 s TRP 22 Ca 0.29 0.41 -0.31 0.00 0.02 0.00 0.00 56.10 56.51 1do9 s TRP 22 Cb -0.06 -3.38 0.12 0.00 -1.15 0.00 0.00 33.47 29.00 1do9 s TRP 22 CO -0.10 -1.71 1.02 -0.48 0.02 0.00 0.00 176.95 175.71 1do9 s LEU 23 N -5.40 -0.27 -0.63 2.99 0.05 -0.91 0.03 118.68 114.55 1do9 s LEU 23 Ca 0.63 -0.00 -0.02 0.00 0.05 0.00 0.00 54.13 54.79 1do9 s LEU 23 Cb -0.09 1.75 0.16 0.00 -2.05 0.00 0.00 46.19 45.96 1do9 s LEU 23 CO 0.47 -0.46 0.44 -0.63 -0.55 0.00 0.00 176.35 175.62 1do9 s ILE 24 N -2.82 3.67 -0.63 1.48 -1.09 0.07 -2.16 121.20 119.71 1do9 s ILE 24 Ca 0.07 -3.00 -0.11 0.00 -2.23 0.00 0.00 60.65 55.38 1do9 s ILE 24 Cb -0.01 -3.40 0.16 0.00 -1.58 0.00 0.00 42.46 37.64 1do9 s ILE 24 CO -0.07 -0.88 0.53 -0.76 -1.23 0.00 0.00 174.94 172.53 1do9 s LEU 25 N -0.11 6.07 -0.16 2.97 1.43 -1.18 -3.52 118.68 124.17 1do9 s LEU 25 Ca 0.17 -2.33 -0.05 0.00 -1.03 0.00 0.00 54.13 50.90 1do9 s LEU 25 Cb -0.20 -2.09 0.01 0.00 0.03 0.00 0.00 46.19 43.94 1do9 s LEU 25 CO -0.03 -0.62 0.21 1.41 0.23 0.00 0.00 176.35 177.54 1do9 n HIS 26 N 4.39 -1.15 -3.45 0.29 8.25 -1.26 -4.08 115.22 118.22 1do9 n HIS 26 Ca 0.01 0.46 -0.14 0.00 -0.26 0.00 0.00 57.72 57.79 1do9 n HIS 26 Cb 0.42 -2.37 -0.02 0.00 1.12 0.00 0.00 29.99 29.14 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 -0.56 -0.46 -3.75 4.41 1.44 -1.26 -4.87 115.22 110.17 1do9 n HIS 27 Ca 0.03 0.13 -0.12 0.00 -2.01 0.00 0.00 57.72 55.75 1do9 n HIS 27 Cb 0.21 -0.98 -0.07 0.00 0.12 0.00 0.00 29.99 29.27 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 -5.13 0.79 -0.38 -1.40 -0.14 -1.26 -4.30 119.74 107.92 1do9 s LYS 28 Ca 0.08 -0.46 -0.04 0.00 -1.36 0.00 0.00 55.97 54.19 1do9 s LYS 28 Cb -0.04 0.34 0.08 0.00 -1.68 0.00 0.00 37.83 36.54 1do9 s LYS 28 CO 0.35 -0.25 0.16 0.08 -0.76 0.00 0.00 175.35 174.93 1do9 s VAL 29 N -2.38 3.42 0.21 3.17 1.01 -1.12 -3.11 120.40 121.60 1do9 s VAL 29 Ca -0.06 -1.70 0.06 0.00 0.00 0.00 0.00 61.98 60.27 1do9 s VAL 29 Cb -0.01 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 1do9 s VAL 29 CO -0.02 -0.48 0.17 -0.31 0.00 0.00 0.00 175.10 174.46 1do9 s TYR 30 N 1.24 3.13 -0.14 5.22 2.02 -0.92 -0.52 117.35 127.38 1do9 s TYR 30 Ca 0.03 -0.06 -0.02 0.00 -0.37 0.00 0.00 57.07 56.65 1do9 s TYR 30 Cb -0.22 -1.46 0.04 0.00 -0.40 0.00 0.00 41.96 39.93 1do9 s TYR 30 CO -0.02 0.52 -0.01 0.34 -1.57 0.00 0.00 175.55 174.81 1do9 s ASP 31 N -3.49 2.42 -0.26 2.29 2.15 -0.39 -2.14 116.67 117.24 1do9 s ASP 31 Ca 0.32 -0.51 0.09 0.00 0.43 0.00 0.00 52.55 52.88 1do9 s ASP 31 Cb -0.09 -0.66 0.45 0.00 -0.30 0.00 0.00 42.92 42.32 1do9 s ASP 31 CO 0.24 -0.22 1.26 0.18 -0.17 0.00 0.00 175.17 176.46 1do9 n LEU 32 N 5.02 3.87 0.24 -1.34 4.77 -0.74 -4.67 117.00 124.14 1do9 n LEU 32 Ca -0.09 -4.22 0.15 0.00 -0.03 0.00 0.00 56.01 51.81 1do9 n LEU 32 Cb 0.48 -0.49 0.50 0.00 -2.33 0.00 0.00 43.42 41.58 1do9 n LEU 32 CO 0.13 1.66 0.92 0.74 -1.33 0.00 0.00 177.39 179.51 1do9 h THR 33 N 1.44 0.00 -0.01 -5.08 2.02 -1.90 -1.81 112.91 107.57 1do9 h THR 33 Ca 0.18 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1do9 h THR 33 Cb 1.28 1.61 0.00 0.00 -1.74 0.00 0.00 68.15 69.30 1do9 h THR 33 CO 0.38 0.00 -0.05 1.17 0.37 0.00 0.00 175.52 177.39 1do9 n LYS 34 N -2.97 0.77 0.00 6.66 0.00 -1.26 -4.44 118.16 116.92 1do9 n LYS 34 Ca 0.02 -0.82 0.08 0.00 0.00 0.00 0.00 58.31 57.59 1do9 n LYS 34 Cb 0.37 -1.10 -0.07 0.00 0.00 0.00 0.00 35.03 34.24 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 0.20 0.00 -0.21 5.64 7.35 -1.10 -4.39 117.46 124.94 1do9 n PHE 35 Ca 0.04 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 56.91 1do9 n PHE 35 Cb 0.18 0.00 0.52 0.00 0.35 0.00 0.00 39.48 40.53 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 0.50 0.38 -2.98 -2.13 4.07 -1.55 0.27 115.31 113.88 1do9 h LEU 36 Ca 0.00 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1do9 h LEU 36 Cb 0.44 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.14 1do9 h LEU 36 CO 0.00 0.17 0.00 -0.62 -1.08 0.00 0.00 178.44 176.91 1do9 n GLU 37 N -4.49 3.94 -0.02 1.13 1.02 -1.26 -4.03 120.64 116.94 1do9 n GLU 37 Ca 0.17 -2.55 -0.02 0.00 -0.02 0.00 0.00 57.16 54.75 1do9 n GLU 37 Cb 0.64 -2.03 -0.02 0.00 -0.02 0.00 0.00 31.44 30.00 1do9 n GLU 37 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1do9 n GLU 38 N 0.65 3.26 -0.82 3.49 1.02 0.86 -5.06 120.64 124.04 1do9 n GLU 38 Ca 0.23 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 57.03 1do9 n GLU 38 Cb 0.95 -1.08 0.11 0.00 -0.02 0.00 0.00 31.44 31.40 1do9 n GLU 38 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1do9 n HIS 39 N -2.15 -2.16 0.18 -0.32 -0.00 -0.66 -4.88 115.22 105.24 1do9 n HIS 39 Ca -0.05 0.19 0.06 0.00 0.46 0.00 0.00 57.72 58.37 1do9 n HIS 39 Cb 0.60 -1.64 0.29 0.00 -0.12 0.00 0.00 29.99 29.12 1do9 n HIS 39 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1do9 h PRO 40 N -1.53 0.00 0.00 1.57 0.13 -1.94 -3.41 132.00 126.82 1do9 h PRO 40 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1do9 h PRO 40 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1do9 h PRO 40 CO 0.32 0.38 0.00 0.41 -0.23 0.00 0.00 178.00 178.88 1do9 n GLY 41 N 0.42 0.00 2.70 1.56 0.00 -1.26 -5.13 105.19 103.48 1do9 n GLY 41 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 0.26 0.00 -0.02 0.00 -1.26 -4.99 107.32 101.31 1do9 s GLY 42 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.85 1do9 s GLY 42 CO 0.00 1.29 0.00 -1.84 0.00 0.00 0.00 173.10 172.55 1do9 n GLU 43 N 5.19 0.55 0.05 2.90 0.28 -1.26 -4.58 120.64 123.77 1do9 n GLU 43 Ca -0.06 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.82 1do9 n GLU 43 Cb 0.50 -0.92 -0.02 0.00 1.43 0.00 0.00 31.44 32.43 1do9 n GLU 43 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1do9 h GLU 44 N 0.00 0.46 -0.78 3.44 4.81 -1.94 -2.99 114.58 117.59 1do9 h GLU 44 Ca 0.00 -0.44 0.13 0.00 -0.13 0.00 0.00 59.36 58.92 1do9 h GLU 44 Cb 0.84 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.27 1do9 h GLU 44 CO 0.00 1.08 0.51 -0.39 -0.73 0.00 0.00 179.01 179.48 1do9 h VAL 45 N 0.29 0.85 0.00 0.32 -1.51 -1.97 0.51 116.25 114.75 1do9 h VAL 45 Ca -0.06 -0.19 -0.02 0.00 -1.23 0.00 0.00 66.70 65.20 1do9 h VAL 45 Cb 1.46 0.25 -0.00 0.00 -2.13 0.00 0.00 31.29 30.86 1do9 h VAL 45 CO 0.15 0.10 -0.11 -0.07 -1.23 0.00 0.00 177.57 176.41 1do9 h LEU 46 N 0.56 0.00 0.00 4.19 3.38 -1.80 -2.12 115.31 119.52 1do9 h LEU 46 Ca 0.38 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.09 1do9 h LEU 46 Cb 0.68 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 1do9 h LEU 46 CO -0.14 0.11 -1.62 0.03 0.09 0.00 0.00 178.44 176.91 1do9 h ARG 47 N 0.00 0.00 0.00 1.13 3.08 -0.31 -2.72 114.38 115.56 1do9 h ARG 47 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1do9 h ARG 47 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1do9 h ARG 47 CO 0.01 0.45 0.00 0.93 -1.07 0.00 0.00 179.97 180.30 1do9 h GLU 48 N 0.00 0.00 0.00 0.04 5.08 0.49 -0.95 114.58 119.24 1do9 h GLU 48 Ca -0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1do9 h GLU 48 Cb 1.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.16 1do9 h GLU 48 CO 0.07 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.12 1do9 n GLN 49 N -2.40 0.40 -1.36 2.33 1.13 -1.16 -5.04 117.38 111.29 1do9 n GLN 49 Ca -0.00 -0.70 -0.42 0.00 -1.94 0.00 0.00 57.00 53.94 1do9 n GLN 49 Cb 0.12 -0.86 -0.00 0.00 0.11 0.00 0.00 30.24 29.60 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 -0.14 -2.42 -3.86 -1.58 0.00 -0.36 -0.32 120.51 111.83 1do9 n ALA 50 Ca 0.00 0.15 -0.31 0.00 0.00 0.00 0.00 53.44 53.28 1do9 n ALA 50 Cb 0.17 -1.60 -0.06 0.00 0.00 0.00 0.00 19.45 17.96 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 2.11 -0.38 3.42 0.00 0.00 0.10 -4.82 105.19 105.62 1do9 n GLY 51 Ca 0.12 0.05 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.89 1.64 3.56 -0.02 0.00 0.56 -4.43 105.19 105.60 1do9 n GLY 52 Ca 0.09 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.23 1do9 n GLY 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1do9 s ASP 53 N -3.05 6.48 0.00 1.61 1.11 -1.25 -0.75 116.67 120.81 1do9 s ASP 53 Ca 0.22 0.09 0.21 0.00 0.18 0.00 0.00 52.55 53.25 1do9 s ASP 53 Cb -0.03 -2.42 0.11 0.00 1.07 0.00 0.00 42.92 41.65 1do9 s ASP 53 CO 0.16 -0.93 1.11 0.00 1.18 0.00 0.00 175.17 176.69 1do9 n ALA 54 N 6.84 2.79 -0.15 5.23 0.00 -1.23 -4.56 120.51 129.43 1do9 n ALA 54 Ca 0.04 -0.64 -0.04 0.00 0.00 0.00 0.00 53.44 52.80 1do9 n ALA 54 Cb 0.48 -0.71 0.02 0.00 0.00 0.00 0.00 19.45 19.25 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 3.47 0.42 -0.79 0.00 2.02 -1.90 0.28 112.91 116.41 1do9 h THR 55 Ca 0.00 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.36 1do9 h THR 55 Cb 0.81 0.42 -0.14 0.00 -1.74 0.00 0.00 68.15 67.50 1do9 h THR 55 CO 0.00 0.00 0.01 1.05 0.37 0.00 0.00 175.52 176.95 1do9 h GLU 56 N -0.08 0.09 0.51 6.66 4.11 -1.94 -0.18 114.58 123.76 1do9 h GLU 56 Ca 0.22 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.62 1do9 h GLU 56 Cb 0.42 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.65 1do9 h GLU 56 CO -0.52 0.06 -0.25 -0.91 0.07 0.00 0.00 179.01 177.46 1do9 h ASN 57 N 0.10 -0.58 -0.86 3.06 2.35 -1.33 0.27 115.58 118.58 1do9 h ASN 57 Ca 0.44 0.02 0.16 0.00 -0.55 0.00 0.00 56.30 56.37 1do9 h ASN 57 Cb 0.78 0.15 -0.16 0.00 0.05 0.00 0.00 38.32 39.15 1do9 h ASN 57 CO -0.70 -0.39 -0.25 0.33 -1.65 0.00 0.00 177.43 174.77 1do9 n PHE 58 N -4.01 0.22 0.16 1.19 7.35 -0.34 -0.21 117.46 121.83 1do9 n PHE 58 Ca -0.09 1.05 -0.14 0.00 -0.76 0.00 0.00 57.45 57.51 1do9 n PHE 58 Cb 0.27 -0.94 -0.08 0.00 0.35 0.00 0.00 39.48 39.08 1do9 n PHE 58 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1do9 h GLU 59 N 0.00 -0.39 -0.38 -4.13 4.39 -1.03 -2.12 114.58 110.92 1do9 h GLU 59 Ca 0.38 0.03 0.07 0.00 0.34 0.00 0.00 59.36 60.18 1do9 h GLU 59 Cb 0.59 0.09 -0.09 0.00 -0.10 0.00 0.00 28.75 29.24 1do9 h GLU 59 CO -0.87 -0.12 -0.37 0.22 -1.16 0.00 0.00 179.01 176.70 1do9 h ASP 60 N -0.61 -1.23 -0.13 1.42 3.58 0.13 -1.45 116.42 118.12 1do9 h ASP 60 Ca -0.04 0.20 0.03 0.00 0.42 0.00 0.00 57.03 57.64 1do9 h ASP 60 Cb 0.44 0.55 -0.07 0.00 1.72 0.00 0.00 39.33 41.98 1do9 h ASP 60 CO 0.07 -0.35 -0.51 0.58 -2.88 0.00 0.00 179.24 176.15 1do9 h VAL 61 N -0.30 0.04 0.00 2.25 2.07 -0.58 -3.47 116.25 116.27 1do9 h VAL 61 Ca 0.15 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.67 1do9 h VAL 61 Cb 0.56 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1do9 h VAL 61 CO -0.54 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.66 1do9 n GLY 62 N -1.44 0.91 3.51 2.17 0.00 -0.55 -5.08 105.19 104.71 1do9 n GLY 62 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 -0.52 -2.08 1.61 8.25 -1.21 -5.03 115.22 116.24 1do9 n HIS 63 Ca 0.00 0.21 -0.27 0.00 -0.26 0.00 0.00 57.72 57.40 1do9 n HIS 63 Cb 0.00 -1.82 0.08 0.00 1.12 0.00 0.00 29.99 29.37 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 -2.31 4.60 0.12 0.41 1.04 -1.26 -5.01 113.70 111.30 1do9 s SER 64 Ca 0.63 0.56 -0.10 0.00 0.48 0.00 0.00 55.95 57.52 1do9 s SER 64 Cb -0.22 -1.11 -0.11 0.00 0.10 0.00 0.00 66.02 64.68 1do9 s SER 64 CO 0.63 -1.78 1.33 0.74 0.98 0.00 0.00 173.24 175.15 1do9 h THR 65 N -0.83 1.30 -0.85 2.02 2.02 -1.99 -2.91 112.91 111.67 1do9 h THR 65 Ca -0.45 -2.02 0.16 0.00 0.77 0.00 0.00 66.41 64.87 1do9 h THR 65 Cb 1.32 2.03 -0.06 0.00 -1.74 0.00 0.00 68.15 69.69 1do9 h THR 65 CO 0.61 0.63 0.56 0.44 0.37 0.00 0.00 175.52 178.13 1do9 h ASP 66 N 0.48 0.52 -0.04 4.18 3.32 -2.00 0.30 116.42 123.17 1do9 h ASP 66 Ca -0.05 0.04 -0.22 0.00 0.02 0.00 0.00 57.03 56.81 1do9 h ASP 66 Cb 1.40 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 40.89 1do9 h ASP 66 CO 0.15 0.25 -0.81 0.00 -1.72 0.00 0.00 179.24 177.11 1do9 h ALA 67 N 1.62 0.34 0.00 3.45 0.00 -1.91 -2.26 119.26 120.49 1do9 h ALA 67 Ca 0.43 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1do9 h ALA 67 Cb 0.86 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1do9 h ALA 67 CO -0.17 0.70 0.00 0.54 0.00 0.00 0.00 179.25 180.32 1do9 n ARG 68 N -3.90 0.16 -0.08 0.00 1.74 0.10 -2.76 116.66 111.91 1do9 n ARG 68 Ca -0.07 0.51 -0.11 0.00 -0.77 0.00 0.00 57.85 57.40 1do9 n ARG 68 Cb 0.76 -1.88 -0.06 0.00 -1.02 0.00 0.00 32.46 30.27 1do9 n ARG 68 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1do9 h GLU 69 N 0.00 0.00 -1.01 5.56 5.08 -0.89 -3.37 114.58 119.95 1do9 h GLU 69 Ca 0.00 0.00 0.25 0.00 -1.00 0.00 0.00 59.36 58.61 1do9 h GLU 69 Cb 0.20 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.33 1do9 h GLU 69 CO 0.00 0.42 0.61 -0.07 -1.00 0.00 0.00 179.01 178.97 1do9 h LEU 70 N -1.00 0.63 -0.73 1.33 -0.00 -1.33 0.55 115.31 114.75 1do9 h LEU 70 Ca -0.13 0.13 0.17 0.00 -0.00 0.00 0.00 57.88 58.04 1do9 h LEU 70 Cb 0.80 0.03 -0.12 0.00 -0.00 0.00 0.00 40.66 41.36 1do9 h LEU 70 CO -0.08 0.10 0.03 0.77 -0.00 0.00 0.00 178.44 179.25 1do9 h SER 71 N 0.54 -0.29 -0.85 -0.43 4.64 -1.69 0.34 113.55 115.81 1do9 h SER 71 Ca 0.64 0.18 0.13 0.00 -0.47 0.00 0.00 61.79 62.27 1do9 h SER 71 Cb 1.29 0.32 -0.06 0.00 -0.31 0.00 0.00 62.40 63.63 1do9 h SER 71 CO -0.45 -0.15 0.55 0.50 -0.87 0.00 0.00 176.83 176.41 1do9 h LYS 72 N 0.12 0.66 0.00 4.77 3.11 -0.05 0.52 116.57 125.71 1do9 h LYS 72 Ca 0.40 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 58.20 1do9 h LYS 72 Cb 0.70 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.78 1do9 h LYS 72 CO -0.63 0.44 0.00 -2.37 -2.81 0.00 0.00 179.45 174.08 1do9 n THR 73 N -4.54 0.00 -0.01 1.00 5.66 0.12 -3.32 114.28 113.18 1do9 n THR 73 Ca 0.16 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.15 1do9 n THR 73 Cb 0.43 -0.38 -0.02 0.00 -1.55 0.00 0.00 70.33 68.81 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 -0.82 0.00 -1.68 1.09 3.72 0.15 -5.00 117.46 114.92 1do9 n PHE 74 Ca 0.13 0.00 -0.50 0.00 -0.05 0.00 0.00 57.45 57.03 1do9 n PHE 74 Cb 0.06 -0.13 -0.05 0.00 -0.94 0.00 0.00 39.48 38.42 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 -2.06 0.47 0.04 4.37 3.06 0.51 -1.26 119.36 124.48 1do9 n ILE 75 Ca -0.04 -0.08 0.03 0.00 -2.50 0.00 0.00 62.75 60.16 1do9 n ILE 75 Cb 0.55 -1.71 0.07 0.00 0.54 0.00 0.00 39.64 39.09 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 4.85 0.62 0.00 9.51 -6.64 0.32 -4.90 119.36 123.12 1do9 n ILE 76 Ca 0.23 -0.81 0.00 0.00 -1.77 0.00 0.00 62.75 60.40 1do9 n ILE 76 Cb 0.26 0.74 0.00 0.00 -1.44 0.00 0.00 39.64 39.20 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 0.21 -0.60 3.58 3.28 0.00 -1.07 -4.45 105.19 106.15 1do9 n GLY 77 Ca 0.06 -0.55 -0.07 0.00 0.00 0.00 0.00 46.02 45.46 1do9 n GLY 77 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1do9 s GLU 78 N -1.46 0.46 0.18 1.61 -1.05 -1.26 -2.79 118.70 114.39 1do9 s GLU 78 Ca 0.00 0.01 -0.32 0.00 -0.15 0.00 0.00 54.97 54.51 1do9 s GLU 78 Cb 0.00 0.22 -0.16 0.00 -0.44 0.00 0.00 34.13 33.74 1do9 s GLU 78 CO 0.00 -0.16 0.95 1.28 0.95 0.00 0.00 175.26 178.28 1do9 n LEU 79 N 0.40 0.63 -4.22 1.83 4.32 -1.26 -1.81 117.00 116.89 1do9 n LEU 79 Ca -0.06 1.15 -0.34 0.00 -0.02 0.00 0.00 56.01 56.73 1do9 n LEU 79 Cb 0.59 -1.12 0.09 0.00 -1.62 0.00 0.00 43.42 41.36 1do9 n LEU 79 CO 0.12 -1.85 -0.72 1.41 -1.22 0.00 0.00 177.39 175.14 1do9 n HIS 80 N 0.87 -2.97 -0.03 -1.77 8.25 -0.57 -4.76 115.22 114.24 1do9 n HIS 80 Ca 0.16 0.14 -0.14 0.00 -0.26 0.00 0.00 57.72 57.61 1do9 n HIS 80 Cb 0.24 -1.61 -0.11 0.00 1.12 0.00 0.00 29.99 29.63 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 -1.34 0.15 0.00 -0.41 0.13 -1.91 -2.38 132.00 126.24 1do9 h PRO 81 Ca -0.44 -0.14 -0.04 0.00 -0.87 0.00 0.00 66.00 64.51 1do9 h PRO 81 Cb 1.30 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1do9 h PRO 81 CO 0.29 0.84 -0.18 -0.44 -0.23 0.00 0.00 178.00 178.27 1do9 h ASP 82 N -0.48 0.00 -0.11 1.44 3.32 -2.00 -1.88 116.42 116.71 1do9 h ASP 82 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1do9 h ASP 82 Cb 0.88 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1do9 h ASP 82 CO 0.04 0.18 0.00 0.47 -1.72 0.00 0.00 179.24 178.21 1do9 n ASP 83 N -3.34 0.95 0.09 6.45 9.92 -1.15 -3.58 116.55 125.89 1do9 n ASP 83 Ca 0.00 -1.65 -0.11 0.00 -0.53 0.00 0.00 54.79 52.50 1do9 n ASP 83 Cb 0.41 -0.07 -0.07 0.00 -0.64 0.00 0.00 41.12 40.75 1do9 n ASP 83 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 1do9 h ARG 84 N 1.22 0.20 -0.33 -1.24 2.43 -0.80 -3.33 114.38 112.52 1do9 h ARG 84 Ca 0.00 -0.27 -0.26 0.00 -0.81 0.00 0.00 59.98 58.64 1do9 h ARG 84 Cb 0.27 0.09 -0.30 0.00 -0.42 0.00 0.00 29.97 29.61 1do9 h ARG 84 CO 0.00 1.06 -0.84 0.45 -1.51 0.00 0.00 179.97 179.12 1do9 n SER 85 N -3.57 2.55 -2.35 -3.80 2.88 -1.24 -4.79 113.62 103.30 1do9 n SER 85 Ca -0.05 -3.07 -0.23 0.00 -1.33 0.00 0.00 58.87 54.20 1do9 n SER 85 Cb 0.90 -0.41 0.01 0.00 -0.75 0.00 0.00 64.21 63.96 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 -0.56 3.20 -0.02 -1.46 5.02 -1.23 -4.75 118.16 118.36 1do9 n LYS 86 Ca 0.22 -4.22 -0.06 0.00 -2.02 0.00 0.00 58.31 52.22 1do9 n LYS 86 Cb 0.89 -2.14 -0.02 0.00 -0.02 0.00 0.00 35.03 33.74 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 -0.53 1.15 -4.56 -0.35 4.77 -1.26 -4.90 117.00 111.32 1do9 n LEU 87 Ca 0.36 0.18 -0.28 0.00 -0.03 0.00 0.00 56.01 56.24 1do9 n LEU 87 Cb 0.79 -0.41 -0.05 0.00 -2.33 0.00 0.00 43.42 41.42 1do9 n LEU 87 CO 0.33 -0.27 1.55 -0.44 -1.33 0.00 0.00 177.39 177.23 1do9 s SER 88 N -5.95 4.63 -0.30 -1.43 0.01 -1.26 -4.82 113.70 104.58 1do9 s SER 88 Ca -0.12 0.22 -0.13 0.00 1.31 0.00 0.00 55.95 57.23 1do9 s SER 88 Cb 0.03 -2.53 0.17 0.00 0.21 0.00 0.00 66.02 63.90 1do9 s SER 88 CO 0.17 -3.02 0.96 -0.75 0.41 0.00 0.00 173.24 171.01 1do9 s LYS 89 N 7.88 0.29 -0.15 12.44 2.20 -1.26 -5.13 119.74 136.01 1do9 s LYS 89 Ca 0.83 0.66 -0.29 0.00 -0.36 0.00 0.00 55.97 56.81 1do9 s LYS 89 Cb -0.12 0.39 -0.02 0.00 -1.51 0.00 0.00 37.83 36.57 1do9 s LYS 89 CO 0.14 -0.18 1.33 -1.25 -0.36 0.00 0.00 175.35 175.03 1do9 s PRO 90 N 2.63 4.20 -0.03 4.03 0.04 -1.26 -4.93 135.00 139.68 1do9 s PRO 90 Ca 0.00 1.73 -0.23 0.00 0.04 0.00 0.00 61.00 62.54 1do9 s PRO 90 Cb -0.08 -3.81 -0.16 0.00 0.04 0.00 0.00 34.50 30.49 1do9 s PRO 90 CO -0.16 -0.75 1.02 1.98 0.04 0.00 0.00 177.00 179.12 1do9 h MET 91 N 8.49 -0.25 -4.73 4.56 4.05 -2.00 -3.49 114.93 121.56 1do9 h MET 91 Ca -0.28 0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.16 1do9 h MET 91 Cb 1.11 0.06 -0.11 0.00 -0.80 0.00 0.00 31.60 31.86 1do9 h MET 91 CO 0.97 0.15 -1.37 -1.91 0.23 0.00 0.00 176.91 174.98 1do9 n GLU 92 N -4.98 -4.23 -5.00 0.39 2.13 -1.26 -5.05 120.64 102.63 1do9 n GLU 92 Ca -0.08 3.22 -0.30 0.00 0.66 0.00 0.00 57.16 60.65 1do9 n GLU 92 Cb 0.26 -4.61 -0.15 0.00 0.27 0.00 0.00 31.44 27.21 1do9 n GLU 92 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1do9 s THR 93 N -0.59 2.16 -1.52 6.31 2.01 -1.26 -5.34 115.64 117.42 1do9 s THR 93 Ca -0.23 -1.30 0.00 0.00 0.31 0.00 0.00 61.69 60.48 1do9 s THR 93 Cb 0.02 -1.82 0.00 0.00 0.01 0.00 0.00 72.50 70.71 1do9 s THR 93 CO 0.62 0.43 0.38 -0.11 -0.69 0.00 0.00 174.62 175.24