#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 3.93 0.46 0.11 2.47 -1.26 -5.07 119.74 120.38 1do9 s LYS 2 Ca 0.00 -0.04 -0.01 0.00 -1.56 0.00 0.00 55.97 54.36 1do9 s LYS 2 Cb 0.00 -3.32 -0.00 0.00 -1.46 0.00 0.00 37.83 33.04 1do9 s LYS 2 CO 0.00 0.49 0.70 -0.51 0.16 0.00 0.00 175.35 176.18 1do9 s ASP 3 N -0.23 5.84 -0.36 1.43 1.01 -1.26 -5.08 116.67 118.01 1do9 s ASP 3 Ca 0.14 0.36 0.02 0.00 0.71 0.00 0.00 52.55 53.78 1do9 s ASP 3 Cb -0.12 -1.59 0.15 0.00 1.01 0.00 0.00 42.92 42.36 1do9 s ASP 3 CO 0.03 -0.73 0.30 -0.69 0.21 0.00 0.00 175.17 174.30 1do9 s VAL 4 N -2.60 -0.12 -1.27 -1.27 1.01 -1.26 -4.43 120.40 110.45 1do9 s VAL 4 Ca 0.49 -1.32 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 1do9 s VAL 4 Cb -0.10 -0.87 0.16 0.00 0.00 0.00 0.00 36.38 35.57 1do9 s VAL 4 CO 0.39 -0.77 1.79 0.29 0.00 0.00 0.00 175.10 176.80 1do9 n LYS 5 N 4.15 3.53 -1.21 2.72 4.01 -1.26 -4.72 118.16 125.38 1do9 n LYS 5 Ca 0.11 -3.56 -0.22 0.00 -0.51 0.00 0.00 58.31 54.14 1do9 n LYS 5 Cb 0.41 -2.97 -0.17 0.00 -0.51 0.00 0.00 35.03 31.79 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 4.40 0.12 -3.73 2.13 4.01 -1.19 -3.92 117.16 118.98 1do9 n TYR 6 Ca 0.40 0.08 -0.31 0.00 -0.16 0.00 0.00 57.90 57.91 1do9 n TYR 6 Cb 0.38 -0.81 -0.04 0.00 -0.31 0.00 0.00 39.34 38.56 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 1.92 3.49 0.34 -0.72 2.02 0.43 -4.71 117.35 120.11 1do9 s TYR 7 Ca 1.07 0.45 -0.04 0.00 -0.37 0.00 0.00 57.07 58.18 1do9 s TYR 7 Cb -0.77 -1.92 -0.05 0.00 -0.40 0.00 0.00 41.96 38.82 1do9 s TYR 7 CO 0.44 0.46 0.60 0.95 -1.57 0.00 0.00 175.55 176.44 1do9 s THR 8 N -1.67 5.01 0.32 -0.71 -4.23 -1.26 -0.99 115.64 112.11 1do9 s THR 8 Ca 0.39 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 60.99 1do9 s THR 8 Cb -0.12 -3.78 0.31 0.00 1.34 0.00 0.00 72.50 70.25 1do9 s THR 8 CO 0.26 -0.47 1.74 -0.07 -0.54 0.00 0.00 174.62 175.55 1do9 h LEU 9 N 1.21 0.70 -0.68 4.79 -0.00 -1.97 0.40 115.31 119.77 1do9 h LEU 9 Ca -0.48 0.12 0.06 0.00 -0.00 0.00 0.00 57.88 57.58 1do9 h LEU 9 Cb 1.20 0.01 -0.05 0.00 -0.00 0.00 0.00 40.66 41.81 1do9 h LEU 9 CO 0.64 0.15 0.39 -0.33 -0.00 0.00 0.00 178.44 179.29 1do9 h GLU 10 N 0.62 0.69 0.03 1.13 4.39 -1.92 -1.01 114.58 118.51 1do9 h GLU 10 Ca 0.62 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 60.28 1do9 h GLU 10 Cb 1.15 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 29.64 1do9 h GLU 10 CO -0.44 0.46 -0.02 0.93 -1.16 0.00 0.00 179.01 178.78 1do9 h GLU 11 N 0.71 -0.04 -0.70 2.33 4.39 -0.57 -1.43 114.58 119.27 1do9 h GLU 11 Ca 0.30 0.00 0.05 0.00 0.34 0.00 0.00 59.36 60.05 1do9 h GLU 11 Cb 0.18 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.79 1do9 h GLU 11 CO -0.18 -0.03 0.42 0.82 -1.16 0.00 0.00 179.01 178.88 1do9 h ILE 12 N -0.04 1.03 -0.31 3.13 2.04 -0.88 0.14 117.51 122.62 1do9 h ILE 12 Ca -0.00 -0.27 -0.16 0.00 1.00 0.00 0.00 64.86 65.43 1do9 h ILE 12 Cb 0.04 0.18 -0.09 0.00 -0.74 0.00 0.00 36.82 36.20 1do9 h ILE 12 CO 0.00 0.14 0.20 2.29 0.00 0.00 0.00 178.15 180.79 1do9 n LYS 13 N -4.72 1.44 -0.01 2.37 2.85 -0.43 -3.37 118.16 116.29 1do9 n LYS 13 Ca 0.08 -0.96 0.02 0.00 -1.05 0.00 0.00 58.31 56.40 1do9 n LYS 13 Cb 0.13 -1.39 -0.05 0.00 -0.65 0.00 0.00 35.03 33.06 1do9 n LYS 13 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1do9 n LYS 14 N -0.01 0.89 0.00 -1.58 3.00 0.48 -4.95 118.16 115.98 1do9 n LYS 14 Ca 0.18 -0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 1do9 n LYS 14 Cb 0.86 -1.17 0.00 0.00 0.00 0.00 0.00 35.03 34.72 1do9 n LYS 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1do9 n HIS 15 N -1.87 0.00 -3.93 5.64 8.25 -1.22 -4.87 115.22 117.22 1do9 n HIS 15 Ca -0.04 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.06 1do9 n HIS 15 Cb 0.32 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.44 1do9 n HIS 15 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1do9 n ASN 16 N 0.00 -4.54 0.00 0.41 0.23 -0.05 -4.87 115.26 106.44 1do9 n ASN 16 Ca 0.00 -1.14 0.00 0.00 -0.53 0.00 0.00 54.58 52.91 1do9 n ASN 16 Cb 0.00 -1.81 0.00 0.00 -2.08 0.00 0.00 39.78 35.89 1do9 n ASN 16 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1do9 n HIS 17 N -4.01 0.00 0.00 -2.53 1.44 -1.21 -5.00 115.22 103.91 1do9 n HIS 17 Ca -0.19 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.52 1do9 n HIS 17 Cb 0.61 0.08 0.00 0.00 0.12 0.00 0.00 29.99 30.80 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 -2.17 0.00 -2.28 4.39 2.88 -1.26 -4.97 113.62 110.21 1do9 n SER 18 Ca 0.00 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.27 1do9 n SER 18 Cb 0.23 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.71 1do9 n SER 18 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1do9 n LYS 19 N 0.00 2.30 0.00 -1.46 5.02 -1.26 -4.62 118.16 118.14 1do9 n LYS 19 Ca 0.00 -2.45 0.00 0.00 -2.02 0.00 0.00 58.31 53.84 1do9 n LYS 19 Cb 0.00 -2.00 0.00 0.00 -0.02 0.00 0.00 35.03 33.01 1do9 n LYS 19 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1do9 n SER 20 N 0.03 0.00 -4.16 4.39 2.88 -1.26 -5.06 113.62 110.44 1do9 n SER 20 Ca 0.46 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.62 1do9 n SER 20 Cb 0.55 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.92 1do9 n SER 20 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1do9 s THR 21 N 0.00 3.92 0.41 2.46 2.01 -1.26 -0.87 115.64 122.31 1do9 s THR 21 Ca 0.00 -2.32 0.01 0.00 0.31 0.00 0.00 61.69 59.68 1do9 s THR 21 Cb 0.00 -3.58 -0.01 0.00 0.01 0.00 0.00 72.50 68.92 1do9 s THR 21 CO 0.00 -0.81 0.62 0.26 -0.69 0.00 0.00 174.62 174.00 1do9 s TRP 22 N 0.71 3.29 -0.05 4.92 0.52 -1.26 0.17 118.94 127.23 1do9 s TRP 22 Ca 0.11 0.23 -0.30 0.00 0.02 0.00 0.00 56.10 56.16 1do9 s TRP 22 Cb -0.22 -2.18 0.11 0.00 -1.15 0.00 0.00 33.47 30.03 1do9 s TRP 22 CO -0.03 -0.21 0.95 -0.48 0.02 0.00 0.00 176.95 177.20 1do9 s LEU 23 N -4.47 -0.32 -0.33 2.99 0.05 -0.97 -0.35 118.68 115.28 1do9 s LEU 23 Ca 0.46 0.03 -0.06 0.00 0.05 0.00 0.00 54.13 54.61 1do9 s LEU 23 Cb -0.10 1.90 0.03 0.00 -2.05 0.00 0.00 46.19 45.97 1do9 s LEU 23 CO 0.37 -0.53 0.09 -0.63 -0.55 0.00 0.00 176.35 175.10 1do9 s ILE 24 N -2.85 3.77 -0.62 1.48 1.01 -0.05 -1.62 121.20 122.32 1do9 s ILE 24 Ca 0.05 -1.05 0.04 0.00 0.00 0.00 0.00 60.65 59.70 1do9 s ILE 24 Cb -0.01 -3.09 0.16 0.00 0.01 0.00 0.00 42.46 39.52 1do9 s ILE 24 CO -0.07 -0.11 0.41 -0.76 0.00 0.00 0.00 174.94 174.40 1do9 s LEU 25 N 1.42 4.36 0.00 2.97 1.43 -1.12 -2.16 118.68 125.57 1do9 s LEU 25 Ca -0.01 -3.51 0.00 0.00 -1.03 0.00 0.00 54.13 49.58 1do9 s LEU 25 Cb -0.19 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.50 1do9 s LEU 25 CO 0.02 -0.14 0.00 1.41 0.23 0.00 0.00 176.35 177.87 1do9 n HIS 26 N 2.42 0.00 -3.35 0.29 8.25 -1.26 -4.30 115.22 117.27 1do9 n HIS 26 Ca 0.16 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.47 1do9 n HIS 26 Cb 0.35 -1.41 -0.04 0.00 1.12 0.00 0.00 29.99 30.00 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 -0.31 -0.56 -3.72 4.41 1.44 -1.26 -4.86 115.22 110.36 1do9 n HIS 27 Ca 0.00 0.25 -0.10 0.00 -2.01 0.00 0.00 57.72 55.86 1do9 n HIS 27 Cb 0.00 -1.24 -0.06 0.00 0.12 0.00 0.00 29.99 28.81 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 -5.04 0.94 -0.21 -1.40 1.02 -1.26 -4.62 119.74 109.18 1do9 s LYS 28 Ca 0.02 -0.69 0.02 0.00 0.02 0.00 0.00 55.97 55.33 1do9 s LYS 28 Cb -0.01 0.41 0.04 0.00 -0.52 0.00 0.00 37.83 37.74 1do9 s LYS 28 CO 0.44 -0.33 -0.16 0.08 -0.92 0.00 0.00 175.35 174.46 1do9 s VAL 29 N -3.40 2.03 0.33 3.17 1.01 0.07 -2.78 120.40 120.83 1do9 s VAL 29 Ca 0.01 -1.16 0.08 0.00 0.00 0.00 0.00 61.98 60.91 1do9 s VAL 29 Cb 0.02 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 1do9 s VAL 29 CO -0.09 0.31 0.11 -0.31 0.00 0.00 0.00 175.10 175.12 1do9 s TYR 30 N 1.25 2.68 -0.50 5.22 2.02 -0.64 -0.63 117.35 126.75 1do9 s TYR 30 Ca -0.00 -0.38 0.03 0.00 -0.37 0.00 0.00 57.07 56.35 1do9 s TYR 30 Cb -0.16 -1.58 0.14 0.00 -0.40 0.00 0.00 41.96 39.96 1do9 s TYR 30 CO -0.10 0.38 0.28 0.34 -1.57 0.00 0.00 175.55 174.88 1do9 s ASP 31 N -3.81 3.99 -0.26 2.29 -1.08 -0.85 -2.28 116.67 114.66 1do9 s ASP 31 Ca 0.37 -2.93 -0.01 0.00 -0.52 0.00 0.00 52.55 49.46 1do9 s ASP 31 Cb -0.02 -1.34 0.16 0.00 -1.46 0.00 0.00 42.92 40.25 1do9 s ASP 31 CO 0.22 -0.23 2.09 0.18 0.52 0.00 0.00 175.17 177.94 1do9 n LEU 32 N 3.17 6.24 -0.08 -1.34 4.77 0.13 -4.26 117.00 125.64 1do9 n LEU 32 Ca 0.09 -3.17 -0.14 0.00 -0.03 0.00 0.00 56.01 52.75 1do9 n LEU 32 Cb 0.34 -1.09 -0.10 0.00 -2.33 0.00 0.00 43.42 40.24 1do9 n LEU 32 CO 0.28 1.22 -0.08 0.00 -1.33 0.00 0.00 177.39 177.49 1do9 h THR 33 N 1.07 1.07 0.00 -5.08 1.03 -1.93 -2.72 112.91 106.34 1do9 h THR 33 Ca 0.24 -1.99 0.00 0.00 -0.01 0.00 0.00 66.41 64.65 1do9 h THR 33 Cb 0.93 2.20 0.00 0.00 -1.07 0.00 0.00 68.15 70.21 1do9 h THR 33 CO 0.62 0.36 0.00 1.17 -0.01 0.00 0.00 175.52 177.66 1do9 n LYS 34 N -4.56 0.78 -0.00 0.00 4.81 -1.26 -2.52 118.16 115.41 1do9 n LYS 34 Ca -0.17 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.36 1do9 n LYS 34 Cb 0.48 -1.50 -0.10 0.00 0.02 0.00 0.00 35.03 33.92 1do9 n LYS 34 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1do9 n PHE 35 N -1.09 0.00 -0.06 5.64 7.35 -1.25 -4.49 117.46 123.56 1do9 n PHE 35 Ca 0.20 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.86 1do9 n PHE 35 Cb 0.14 -0.09 -0.03 0.00 0.35 0.00 0.00 39.48 39.86 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 -0.51 -3.15 -2.13 3.38 -1.18 0.13 115.31 111.85 1do9 h LEU 36 Ca 0.00 0.07 -0.29 0.00 0.09 0.00 0.00 57.88 57.75 1do9 h LEU 36 Cb 0.49 0.21 -0.16 0.00 0.09 0.00 0.00 40.66 41.29 1do9 h LEU 36 CO 0.00 -0.09 0.37 -0.62 0.09 0.00 0.00 178.44 178.19 1do9 n GLU 37 N -3.45 1.70 -0.07 1.13 1.02 -1.26 -3.32 120.64 116.39 1do9 n GLU 37 Ca -0.01 -1.60 0.00 0.00 -0.02 0.00 0.00 57.16 55.54 1do9 n GLU 37 Cb 0.08 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 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 -0.22 0.08 -3.74 3.49 1.02 0.07 -5.08 120.64 116.27 1do9 n GLU 38 Ca 0.32 -0.61 -0.35 0.00 -0.02 0.00 0.00 57.16 56.50 1do9 n GLU 38 Cb 0.99 -0.52 -0.09 0.00 -0.02 0.00 0.00 31.44 31.80 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 -0.04 3.35 -0.91 -0.32 2.46 0.22 -4.94 115.29 115.11 1do9 s HIS 39 Ca 0.00 0.24 -0.24 0.00 0.47 0.00 0.00 55.06 55.53 1do9 s HIS 39 Cb 0.00 -2.19 -0.02 0.00 -0.13 0.00 0.00 32.58 30.24 1do9 s HIS 39 CO 0.00 0.18 1.81 -1.25 -2.47 0.00 0.00 174.74 173.00 1do9 s PRO 40 N 0.64 2.83 0.00 2.88 0.04 -1.26 -3.86 135.00 136.27 1do9 s PRO 40 Ca 0.07 -0.44 0.00 0.00 0.04 0.00 0.00 61.00 60.67 1do9 s PRO 40 Cb -0.12 -5.08 0.00 0.00 0.04 0.00 0.00 34.50 29.34 1do9 s PRO 40 CO 0.01 -3.03 0.00 0.41 0.04 0.00 0.00 177.00 174.43 1do9 n GLY 41 N 6.77 0.41 3.52 0.56 0.00 -1.26 -5.11 105.19 110.08 1do9 n GLY 41 Ca 0.36 0.02 -0.15 0.00 0.00 0.00 0.00 46.02 46.25 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 1.47 0.00 -0.02 0.00 -1.25 -5.08 107.32 102.44 1do9 s GLY 42 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.23 1do9 s GLY 42 CO 0.00 -0.95 0.00 -1.84 0.00 0.00 0.00 173.10 170.31 1do9 n GLU 43 N -0.59 0.17 0.15 2.90 0.28 -1.26 -4.51 120.64 117.77 1do9 n GLU 43 Ca 0.00 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.03 1do9 n GLU 43 Cb 0.61 -0.57 0.41 0.00 1.43 0.00 0.00 31.44 33.33 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 0.17 -0.23 3.44 4.11 -1.98 0.35 114.58 120.44 1do9 h GLU 44 Ca 0.00 -0.04 0.07 0.00 0.07 0.00 0.00 59.36 59.46 1do9 h GLU 44 Cb 0.14 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1do9 h GLU 44 CO 0.00 0.33 0.17 -0.39 0.07 0.00 0.00 179.01 179.20 1do9 h VAL 45 N 0.16 0.81 0.00 -1.06 -1.51 -1.98 0.24 116.25 112.90 1do9 h VAL 45 Ca 0.03 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.46 1do9 h VAL 45 Cb 0.38 0.88 -0.01 0.00 -2.13 0.00 0.00 31.29 30.42 1do9 h VAL 45 CO 0.02 0.00 -0.20 -0.07 -1.23 0.00 0.00 177.57 176.10 1do9 h LEU 46 N 0.00 0.00 0.00 4.19 3.38 -1.25 -1.67 115.31 119.96 1do9 h LEU 46 Ca 0.11 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1do9 h LEU 46 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1do9 h LEU 46 CO -0.00 0.20 -1.07 -0.09 0.09 0.00 0.00 178.44 177.57 1do9 h ARG 47 N 0.00 0.00 0.00 1.13 2.43 -0.64 -2.59 114.38 114.71 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 0.72 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 1do9 h ARG 47 CO 0.03 0.13 0.00 0.93 -1.51 0.00 0.00 179.97 179.54 1do9 h GLU 48 N 0.00 0.00 0.00 0.20 4.39 -0.08 -2.96 114.58 116.13 1do9 h GLU 48 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1do9 h GLU 48 Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1do9 h GLU 48 CO 0.02 0.00 0.00 1.04 -1.16 0.00 0.00 179.01 178.91 1do9 n GLN 49 N -2.34 0.93 -1.43 2.33 1.13 -1.10 -5.04 117.38 111.86 1do9 n GLN 49 Ca 0.03 -0.86 -0.41 0.00 -1.94 0.00 0.00 57.00 53.82 1do9 n GLN 49 Cb 0.30 -0.87 0.01 0.00 0.11 0.00 0.00 30.24 29.79 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 -0.21 -1.64 -3.86 -1.58 0.00 -0.97 -0.62 120.51 111.63 1do9 n ALA 50 Ca 0.00 0.13 -0.29 0.00 0.00 0.00 0.00 53.44 53.28 1do9 n ALA 50 Cb 0.21 -1.74 -0.05 0.00 0.00 0.00 0.00 19.45 17.86 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 1.85 -0.42 3.56 0.00 0.00 0.52 -4.86 105.19 105.85 1do9 n GLY 51 Ca 0.11 0.05 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.82 0.34 -0.75 -0.02 0.00 0.21 -4.49 107.32 99.79 1do9 s GLY 52 Ca 0.58 -0.69 -0.27 0.00 0.00 0.00 0.00 44.72 44.34 1do9 s GLY 52 CO 0.71 -0.53 1.33 -0.35 0.00 0.00 0.00 173.10 174.25 1do9 s ASP 53 N -2.97 6.11 0.00 1.64 2.15 -1.26 -0.87 116.67 121.47 1do9 s ASP 53 Ca 0.18 -0.45 0.28 0.00 0.43 0.00 0.00 52.55 52.99 1do9 s ASP 53 Cb -0.01 -2.56 1.04 0.00 -0.30 0.00 0.00 42.92 41.09 1do9 s ASP 53 CO 0.05 -1.86 1.74 0.00 -0.17 0.00 0.00 175.17 174.92 1do9 n ALA 54 N 9.60 2.77 -0.13 3.66 0.00 -0.92 -4.34 120.51 131.16 1do9 n ALA 54 Ca 0.06 -0.39 -0.05 0.00 0.00 0.00 0.00 53.44 53.06 1do9 n ALA 54 Cb 0.49 -1.20 0.02 0.00 0.00 0.00 0.00 19.45 18.76 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 1.57 0.52 -0.78 0.00 2.02 -1.87 0.22 112.91 114.59 1do9 h THR 55 Ca 0.00 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.35 1do9 h THR 55 Cb 0.45 0.52 -0.14 0.00 -1.74 0.00 0.00 68.15 67.24 1do9 h THR 55 CO 0.00 0.00 -0.06 -0.33 0.37 0.00 0.00 175.52 175.50 1do9 h GLU 56 N -0.04 0.06 0.68 6.66 5.08 -1.93 0.24 114.58 125.33 1do9 h GLU 56 Ca 0.20 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 1do9 h GLU 56 Cb 0.35 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.60 1do9 h GLU 56 CO -0.45 0.04 -0.33 -0.91 -1.00 0.00 0.00 179.01 176.36 1do9 h ASN 57 N 0.06 -0.77 -1.16 1.42 4.21 -1.32 0.28 115.58 118.29 1do9 h ASN 57 Ca 0.41 -0.00 0.35 0.00 1.21 0.00 0.00 56.30 58.27 1do9 h ASN 57 Cb 0.71 0.20 -0.12 0.00 -1.12 0.00 0.00 38.32 37.99 1do9 h ASN 57 CO -0.73 -0.47 0.74 0.15 -1.29 0.00 0.00 177.43 175.84 1do9 h PHE 58 N -1.06 0.63 0.17 1.19 3.04 0.22 0.35 116.94 121.48 1do9 h PHE 58 Ca -0.09 0.02 -0.32 0.00 3.98 0.00 0.00 57.97 61.56 1do9 h PHE 58 Cb 0.73 -0.17 0.01 0.00 2.56 0.00 0.00 35.95 39.09 1do9 h PHE 58 CO -0.01 -0.09 -1.55 0.93 -2.02 0.00 0.00 178.31 175.58 1do9 h GLU 59 N 0.24 0.37 0.17 1.11 4.39 -0.36 -2.62 114.58 117.88 1do9 h GLU 59 Ca 0.71 -0.63 0.00 0.00 0.34 0.00 0.00 59.36 59.79 1do9 h GLU 59 Cb 2.01 0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 30.88 1do9 h GLU 59 CO -0.39 1.27 -0.30 -0.44 -1.16 0.00 0.00 179.01 177.98 1do9 h ASP 60 N 0.10 -0.88 0.27 1.42 5.19 0.17 0.13 116.42 122.82 1do9 h ASP 60 Ca -0.26 0.08 -0.04 0.00 -0.62 0.00 0.00 57.03 56.19 1do9 h ASP 60 Cb 2.07 0.31 -0.01 0.00 0.18 0.00 0.00 39.33 41.89 1do9 h ASP 60 CO 0.20 -0.36 -0.18 1.62 -3.12 0.00 0.00 179.24 177.40 1do9 h VAL 61 N -0.51 0.94 0.00 -1.35 3.04 -1.50 -3.47 116.25 113.40 1do9 h VAL 61 Ca -0.02 -0.67 0.00 0.00 -1.01 0.00 0.00 66.70 65.00 1do9 h VAL 61 Cb 0.48 1.38 0.00 0.00 -2.01 0.00 0.00 31.29 31.14 1do9 h VAL 61 CO -0.11 0.18 0.00 0.61 -1.01 0.00 0.00 177.57 177.24 1do9 n GLY 62 N -0.82 2.86 1.41 3.17 0.00 0.44 -5.00 105.19 107.26 1do9 n GLY 62 Ca -0.02 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.99 -2.67 1.61 8.25 -1.21 -4.47 115.22 113.74 1do9 n HIS 63 Ca 0.00 1.62 -0.14 0.00 -0.26 0.00 0.00 57.72 58.94 1do9 n HIS 63 Cb 0.00 -2.52 0.06 0.00 1.12 0.00 0.00 29.99 28.66 1do9 n HIS 63 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1do9 n SER 64 N -2.50 1.03 -0.01 0.41 7.64 -1.26 -4.98 113.62 113.94 1do9 n SER 64 Ca -0.00 -1.81 -0.13 0.00 1.01 0.00 0.00 58.87 57.93 1do9 n SER 64 Cb 0.34 -0.36 -0.01 0.00 -1.01 0.00 0.00 64.21 63.17 1do9 n SER 64 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1do9 h THR 65 N -0.32 1.31 -0.99 0.44 2.02 -1.98 -2.49 112.91 110.90 1do9 h THR 65 Ca -0.20 -1.92 0.23 0.00 0.77 0.00 0.00 66.41 65.29 1do9 h THR 65 Cb 0.78 1.89 -0.09 0.00 -1.74 0.00 0.00 68.15 68.99 1do9 h THR 65 CO 0.23 0.60 0.64 0.44 0.37 0.00 0.00 175.52 177.80 1do9 h ASP 66 N 0.49 0.51 0.19 4.18 5.19 -2.00 0.40 116.42 125.38 1do9 h ASP 66 Ca -0.02 0.08 -0.27 0.00 -0.62 0.00 0.00 57.03 56.19 1do9 h ASP 66 Cb 1.26 -0.01 0.03 0.00 0.18 0.00 0.00 39.33 40.79 1do9 h ASP 66 CO 0.13 0.15 -1.23 0.00 -3.12 0.00 0.00 179.24 175.17 1do9 h ALA 67 N 1.62 -0.08 0.00 3.45 0.00 -1.93 -3.05 119.26 119.28 1do9 h ALA 67 Ca 0.56 -0.84 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1do9 h ALA 67 Cb 1.29 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 1do9 h ALA 67 CO -0.28 0.60 -0.01 0.00 0.00 0.00 0.00 179.25 179.56 1do9 h ARG 68 N -0.11 0.00 0.06 0.00 2.47 0.17 -2.55 114.38 114.42 1do9 h ARG 68 Ca -0.22 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.36 1do9 h ARG 68 Cb 1.91 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.23 1do9 h ARG 68 CO 0.20 0.01 -0.65 0.93 0.56 0.00 0.00 179.97 181.02 1do9 h GLU 69 N 0.00 0.13 -0.50 0.04 5.08 -0.98 -3.30 114.58 115.05 1do9 h GLU 69 Ca -0.00 -0.22 0.15 0.00 -1.00 0.00 0.00 59.36 58.28 1do9 h GLU 69 Cb 0.10 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1do9 h GLU 69 CO 0.00 1.11 0.36 -0.07 -1.00 0.00 0.00 179.01 179.41 1do9 h LEU 70 N -0.70 0.00 -1.43 1.33 3.38 -1.35 0.24 115.31 116.79 1do9 h LEU 70 Ca -0.14 0.00 0.16 0.00 0.09 0.00 0.00 57.88 57.99 1do9 h LEU 70 Cb 1.36 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.05 1do9 h LEU 70 CO 0.03 0.00 0.56 0.28 0.09 0.00 0.00 178.44 179.40 1do9 h SER 71 N 0.00 0.51 0.11 -0.43 0.02 -1.60 0.60 113.55 112.76 1do9 h SER 71 Ca 0.24 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1do9 h SER 71 Cb 0.96 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.44 1do9 h SER 71 CO -0.00 0.24 0.00 1.17 -1.14 0.00 0.00 176.83 177.10 1do9 n LYS 72 N -4.53 0.13 -0.51 3.45 4.81 0.86 -0.71 118.16 121.66 1do9 n LYS 72 Ca 0.17 0.59 0.08 0.00 -0.87 0.00 0.00 58.31 58.29 1do9 n LYS 72 Cb 0.56 -1.90 0.28 0.00 0.02 0.00 0.00 35.03 33.99 1do9 n LYS 72 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1do9 n THR 73 N -2.18 2.19 0.00 3.15 5.66 0.20 -4.58 114.28 118.72 1do9 n THR 73 Ca -0.01 -1.64 0.00 0.00 -3.05 0.00 0.00 64.05 59.36 1do9 n THR 73 Cb 0.06 -0.14 0.00 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 -0.05 0.00 -1.67 1.09 3.72 0.11 -5.03 117.46 115.63 1do9 n PHE 74 Ca 0.22 0.00 -0.52 0.00 -0.05 0.00 0.00 57.45 57.09 1do9 n PHE 74 Cb 0.89 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.38 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 -1.62 0.28 -0.03 4.37 3.06 -0.34 -2.01 119.36 123.07 1do9 n ILE 75 Ca 0.00 -0.05 0.08 0.00 -2.50 0.00 0.00 62.75 60.28 1do9 n ILE 75 Cb 0.13 -1.36 0.18 0.00 0.54 0.00 0.00 39.64 39.13 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 4.16 0.75 -0.00 9.51 -6.64 0.20 -4.90 119.36 122.44 1do9 n ILE 76 Ca 0.23 -0.88 0.00 0.00 -1.77 0.00 0.00 62.75 60.33 1do9 n ILE 76 Cb 0.21 0.70 0.00 0.00 -1.44 0.00 0.00 39.64 39.11 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 0.93 0.99 3.51 3.28 0.00 -1.12 -4.35 105.19 108.42 1do9 n GLY 77 Ca 0.15 -1.90 -0.25 0.00 0.00 0.00 0.00 46.02 44.01 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 1.92 0.33 1.61 2.02 -1.25 -0.75 118.70 120.58 1do9 s GLU 78 Ca 0.00 -2.17 0.08 0.00 0.02 0.00 0.00 54.97 52.90 1do9 s GLU 78 Cb 0.00 -0.60 -0.03 0.00 0.10 0.00 0.00 34.13 33.60 1do9 s GLU 78 CO 0.00 -0.47 0.23 -0.48 0.02 0.00 0.00 175.26 174.56 1do9 s LEU 79 N -3.60 3.49 -0.42 1.80 2.34 -1.26 -0.43 118.68 120.59 1do9 s LEU 79 Ca 0.24 -0.58 -0.31 0.00 0.06 0.00 0.00 54.13 53.54 1do9 s LEU 79 Cb 0.03 -2.05 -0.10 0.00 -0.56 0.00 0.00 46.19 43.50 1do9 s LEU 79 CO 0.15 -0.32 2.31 1.41 -1.06 0.00 0.00 176.35 178.84 1do9 n HIS 80 N -1.29 1.52 -2.44 3.48 8.25 -0.16 -4.67 115.22 119.91 1do9 n HIS 80 Ca -0.02 0.16 -0.39 0.00 -0.26 0.00 0.00 57.72 57.21 1do9 n HIS 80 Cb 0.60 -2.58 -0.02 0.00 1.12 0.00 0.00 29.99 29.11 1do9 n HIS 80 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1do9 n PRO 81 N 8.55 2.76 0.00 -0.41 -0.04 -1.26 -2.08 135.00 142.53 1do9 n PRO 81 Ca 0.40 -3.06 0.00 0.00 -0.04 0.00 0.00 63.50 60.81 1do9 n PRO 81 Cb 0.33 -3.56 0.00 0.00 -0.04 0.00 0.00 33.50 30.23 1do9 n PRO 81 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1do9 n ASP 82 N 10.05 0.00 0.17 3.54 8.00 -1.26 -4.96 116.55 132.09 1do9 n ASP 82 Ca 0.48 0.00 0.04 0.00 0.71 0.00 0.00 54.79 56.02 1do9 n ASP 82 Cb 0.46 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 41.83 1do9 n ASP 82 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1do9 h ASP 83 N 0.12 0.00 0.78 -2.24 5.19 -1.81 -1.95 116.42 116.51 1do9 h ASP 83 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1do9 h ASP 83 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1do9 h ASP 83 CO 0.00 0.42 -0.61 -1.14 -3.12 0.00 0.00 179.24 174.79 1do9 n ARG 84 N -3.49 0.23 -2.02 3.56 3.00 -1.25 -4.94 116.66 111.76 1do9 n ARG 84 Ca 0.00 0.06 -0.19 0.00 -0.00 0.00 0.00 57.85 57.73 1do9 n ARG 84 Cb 0.56 -1.64 -0.04 0.00 0.00 0.00 0.00 32.46 31.34 1do9 n ARG 84 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1do9 n SER 85 N -1.98 -5.25 -2.18 6.15 7.64 -0.73 -4.85 113.62 112.42 1do9 n SER 85 Ca 0.04 0.23 -0.27 0.00 1.01 0.00 0.00 58.87 59.88 1do9 n SER 85 Cb 0.42 -4.52 0.10 0.00 -1.01 0.00 0.00 64.21 59.20 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 -2.64 2.35 0.05 1.43 4.76 -1.26 -4.42 118.16 118.42 1do9 n LYS 86 Ca -0.21 -2.81 0.00 0.00 -2.87 0.00 0.00 58.31 52.42 1do9 n LYS 86 Cb 0.65 -2.10 0.00 0.00 -1.84 0.00 0.00 35.03 31.74 1do9 n LYS 86 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1do9 n LEU 87 N -0.75 0.02 0.07 -0.35 4.32 -1.26 -5.02 117.00 114.02 1do9 n LEU 87 Ca 0.55 0.16 0.00 0.00 -0.02 0.00 0.00 56.01 56.70 1do9 n LEU 87 Cb 0.98 0.11 0.00 0.00 -1.62 0.00 0.00 43.42 42.88 1do9 n LEU 87 CO 0.64 -0.61 0.00 -0.24 -1.22 0.00 0.00 177.39 175.97 1do9 n SER 88 N -2.86 -0.16 -2.68 -1.43 2.88 -1.26 -5.12 113.62 102.99 1do9 n SER 88 Ca 0.00 0.23 -0.00 0.00 -1.33 0.00 0.00 58.87 57.77 1do9 n SER 88 Cb 0.00 0.27 -0.00 0.00 -0.75 0.00 0.00 64.21 63.72 1do9 n SER 88 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1do9 n LYS 89 N -2.95 -3.48 -0.60 -1.46 4.81 -1.26 -5.04 118.16 108.18 1do9 n LYS 89 Ca 0.00 2.78 -0.14 0.00 -0.87 0.00 0.00 58.31 60.08 1do9 n LYS 89 Cb 0.00 -5.27 0.12 0.00 0.02 0.00 0.00 35.03 29.90 1do9 n LYS 89 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1do9 n PRO 90 N 0.74 -1.70 -2.76 1.64 -0.04 -1.26 -4.98 135.00 126.63 1do9 n PRO 90 Ca -0.02 -0.87 -0.42 0.00 -0.04 0.00 0.00 63.50 62.14 1do9 n PRO 90 Cb 0.03 -0.76 -0.03 0.00 -0.04 0.00 0.00 33.50 32.71 1do9 n PRO 90 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1do9 s MET 91 N -4.24 4.30 -0.29 0.54 1.75 -1.26 -5.00 119.30 115.10 1do9 s MET 91 Ca 0.35 1.21 -0.17 0.00 -1.25 0.00 0.00 55.69 55.83 1do9 s MET 91 Cb -0.03 -3.60 0.16 0.00 2.84 0.00 0.00 34.83 34.21 1do9 s MET 91 CO 0.26 -0.45 1.08 -2.00 -0.65 0.00 0.00 175.02 173.27 1do9 s GLU 92 N 2.55 0.28 -0.16 4.11 2.12 -1.26 -5.16 118.70 121.18 1do9 s GLU 92 Ca 0.42 0.46 -0.01 0.00 0.36 0.00 0.00 54.97 56.20 1do9 s GLU 92 Cb -0.16 0.07 -0.01 0.00 0.26 0.00 0.00 34.13 34.28 1do9 s GLU 92 CO 0.11 -0.06 -0.11 -0.08 -0.54 0.00 0.00 175.26 174.59 1do9 s THR 93 N 1.11 3.08 0.00 -1.70 -1.32 -1.26 -5.25 115.64 110.29 1do9 s THR 93 Ca -0.07 -0.63 0.00 0.00 -1.21 0.00 0.00 61.69 59.78 1do9 s THR 93 Cb -0.03 -2.33 0.00 0.00 -1.51 0.00 0.00 72.50 68.63 1do9 s THR 93 CO -0.13 0.50 0.00 -0.11 -2.21 0.00 0.00 174.62 172.67