#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 1.88 -0.17 -1.24 1.02 -1.26 -5.05 119.74 114.92 1do9 s LYS 2 Ca 0.00 -1.11 0.14 0.00 0.02 0.00 0.00 55.97 55.02 1do9 s LYS 2 Cb 0.00 0.59 0.36 0.00 -0.52 0.00 0.00 37.83 38.26 1do9 s LYS 2 CO 0.00 -0.87 1.19 -3.47 -0.92 0.00 0.00 175.35 171.28 1do9 n ASP 3 N -0.82 1.92 -3.56 2.83 -0.08 -1.26 -4.89 116.55 110.69 1do9 n ASP 3 Ca -0.06 -3.52 -0.28 0.00 -1.51 0.00 0.00 54.79 49.42 1do9 n ASP 3 Cb 0.59 -0.48 -0.12 0.00 2.34 0.00 0.00 41.12 43.46 1do9 n ASP 3 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1do9 s VAL 4 N -2.98 0.83 -1.27 5.18 1.01 -1.26 -4.26 120.40 117.64 1do9 s VAL 4 Ca 0.35 -2.47 -0.12 0.00 0.00 0.00 0.00 61.98 59.74 1do9 s VAL 4 Cb 0.33 -1.58 0.15 0.00 0.00 0.00 0.00 36.38 35.28 1do9 s VAL 4 CO -0.03 -1.03 1.74 0.29 0.00 0.00 0.00 175.10 176.06 1do9 n LYS 5 N 3.36 3.44 -1.13 2.72 4.76 -1.14 -4.81 118.16 125.36 1do9 n LYS 5 Ca 0.17 -3.55 -0.38 0.00 -2.87 0.00 0.00 58.31 51.68 1do9 n LYS 5 Cb 0.39 -3.04 -0.11 0.00 -1.84 0.00 0.00 35.03 30.43 1do9 n LYS 5 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1do9 n TYR 6 N 5.01 0.61 -4.23 2.13 4.02 -1.26 -4.19 117.16 119.25 1do9 n TYR 6 Ca 0.40 0.41 -0.28 0.00 -0.01 0.00 0.00 57.90 58.42 1do9 n TYR 6 Cb 0.39 -1.87 -0.09 0.00 -0.02 0.00 0.00 39.34 37.76 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 6.36 2.76 0.15 -0.72 2.02 -1.16 -4.90 117.35 121.85 1do9 s TYR 7 Ca 1.04 -0.16 -0.07 0.00 -0.37 0.00 0.00 57.07 57.50 1do9 s TYR 7 Cb -1.07 -1.37 -0.06 0.00 -0.40 0.00 0.00 41.96 39.06 1do9 s TYR 7 CO 0.44 0.49 0.43 0.95 -1.57 0.00 0.00 175.55 176.29 1do9 s THR 8 N -1.57 5.08 0.20 -0.71 -4.23 -1.26 -1.97 115.64 111.17 1do9 s THR 8 Ca 0.25 0.27 -0.18 0.00 -1.18 0.00 0.00 61.69 60.85 1do9 s THR 8 Cb -0.10 -3.63 0.17 0.00 1.34 0.00 0.00 72.50 70.28 1do9 s THR 8 CO 0.16 0.07 1.60 -0.07 -0.54 0.00 0.00 174.62 175.85 1do9 h LEU 9 N 2.98 -0.95 -0.83 4.79 -0.00 -1.98 0.32 115.31 119.63 1do9 h LEU 9 Ca -0.47 0.21 0.21 0.00 -0.00 0.00 0.00 57.88 57.83 1do9 h LEU 9 Cb 1.17 0.51 -0.13 0.00 -0.00 0.00 0.00 40.66 42.21 1do9 h LEU 9 CO 0.70 -0.28 0.23 -0.33 -0.00 0.00 0.00 178.44 178.76 1do9 h GLU 10 N -0.11 0.24 0.34 1.13 5.08 -1.94 0.35 114.58 119.68 1do9 h GLU 10 Ca 0.26 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 1do9 h GLU 10 Cb 0.53 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1do9 h GLU 10 CO -0.67 0.16 -0.16 1.49 -1.00 0.00 0.00 179.01 178.83 1do9 h GLU 11 N 0.25 -0.44 -0.37 2.33 4.57 -0.77 -2.01 114.58 118.14 1do9 h GLU 11 Ca 0.51 0.03 0.11 0.00 -1.18 0.00 0.00 59.36 58.82 1do9 h GLU 11 Cb 0.96 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.63 1do9 h GLU 11 CO -0.60 -0.26 0.27 0.82 -1.18 0.00 0.00 179.01 178.07 1do9 h ILE 12 N -0.51 0.79 -0.35 2.32 5.03 -0.41 0.15 117.51 124.53 1do9 h ILE 12 Ca -0.05 0.00 -0.16 0.00 -0.12 0.00 0.00 64.86 64.53 1do9 h ILE 12 Cb 0.38 0.81 -0.10 0.00 -3.03 0.00 0.00 36.82 34.89 1do9 h ILE 12 CO 0.08 0.00 0.20 0.29 -0.68 0.00 0.00 178.15 178.04 1do9 n LYS 13 N -4.39 1.68 -0.05 2.37 5.02 -0.05 -3.30 118.16 119.44 1do9 n LYS 13 Ca 0.06 -1.17 0.01 0.00 -2.02 0.00 0.00 58.31 55.19 1do9 n LYS 13 Cb 0.46 -1.52 0.01 0.00 -0.02 0.00 0.00 35.03 33.96 1do9 n LYS 13 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1do9 n LYS 14 N -0.06 1.45 0.00 1.97 5.02 0.52 -4.98 118.16 122.07 1do9 n LYS 14 Ca 0.21 -1.18 0.00 0.00 -2.02 0.00 0.00 58.31 55.32 1do9 n LYS 14 Cb 0.89 -0.81 0.00 0.00 -0.02 0.00 0.00 35.03 35.08 1do9 n LYS 14 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1do9 n HIS 15 N -0.35 0.00 -4.15 2.13 8.25 -1.21 -4.94 115.22 114.95 1do9 n HIS 15 Ca 0.01 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.14 1do9 n HIS 15 Cb 0.42 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.48 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 -0.75 -1.48 0.41 0.23 -0.60 -4.88 115.26 108.20 1do9 n ASN 16 Ca 0.00 -1.21 0.01 0.00 -0.53 0.00 0.00 54.58 52.85 1do9 n ASN 16 Cb 0.00 -2.03 0.08 0.00 -2.08 0.00 0.00 39.78 35.75 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 -4.63 0.47 0.00 -2.53 1.44 -0.23 -4.97 115.22 104.76 1do9 n HIS 17 Ca -0.27 -1.23 0.00 0.00 -2.01 0.00 0.00 57.72 54.22 1do9 n HIS 17 Cb 0.66 -0.21 0.00 0.00 0.12 0.00 0.00 29.99 30.56 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 -0.28 0.00 -0.18 4.39 2.88 -1.26 -4.36 113.62 114.81 1do9 n SER 18 Ca 0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1do9 n SER 18 Cb 0.94 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.40 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 0.72 -3.60 -1.46 4.01 -1.26 -4.55 118.16 112.02 1do9 n LYS 19 Ca 0.00 0.00 -0.03 0.00 -0.51 0.00 0.00 58.31 57.77 1do9 n LYS 19 Cb 0.00 -1.13 -0.06 0.00 -0.51 0.00 0.00 35.03 33.33 1do9 n LYS 19 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1do9 s SER 20 N -0.93 -0.71 -0.40 4.39 1.04 -1.26 -5.04 113.70 110.78 1do9 s SER 20 Ca 0.00 1.08 0.03 0.00 0.48 0.00 0.00 55.95 57.55 1do9 s SER 20 Cb 0.00 1.47 0.16 0.00 0.10 0.00 0.00 66.02 67.75 1do9 s SER 20 CO 0.00 -0.16 0.37 -0.89 0.98 0.00 0.00 173.24 173.53 1do9 s THR 21 N 1.80 -0.02 0.72 2.02 2.01 -1.26 -1.07 115.64 119.85 1do9 s THR 21 Ca -0.08 -1.89 -0.05 0.00 0.31 0.00 0.00 61.69 59.98 1do9 s THR 21 Cb -0.05 -0.94 0.10 0.00 0.01 0.00 0.00 72.50 71.62 1do9 s THR 21 CO -0.17 -0.89 1.01 0.26 -0.69 0.00 0.00 174.62 174.14 1do9 s TRP 22 N 0.66 2.24 -0.00 4.92 0.52 -1.26 -1.84 118.94 124.18 1do9 s TRP 22 Ca 0.26 0.09 -0.29 0.00 0.02 0.00 0.00 56.10 56.18 1do9 s TRP 22 Cb -0.06 -3.19 0.10 0.00 -1.15 0.00 0.00 33.47 29.17 1do9 s TRP 22 CO -0.10 -1.61 1.04 -0.48 0.02 0.00 0.00 176.95 175.81 1do9 s LEU 23 N -5.23 -0.22 -0.36 2.99 0.05 -0.88 -0.79 118.68 114.24 1do9 s LEU 23 Ca 0.64 -0.13 -0.03 0.00 0.05 0.00 0.00 54.13 54.67 1do9 s LEU 23 Cb -0.08 1.82 0.08 0.00 -2.05 0.00 0.00 46.19 45.96 1do9 s LEU 23 CO 0.45 -0.56 0.11 -0.63 -0.55 0.00 0.00 176.35 175.16 1do9 s ILE 24 N -2.91 3.20 -0.52 1.48 1.01 -0.24 -1.82 121.20 121.41 1do9 s ILE 24 Ca 0.09 -1.69 -0.00 0.00 0.00 0.00 0.00 60.65 59.05 1do9 s ILE 24 Cb -0.00 -3.02 0.14 0.00 0.01 0.00 0.00 42.46 39.59 1do9 s ILE 24 CO -0.04 -0.40 0.30 -0.76 0.00 0.00 0.00 174.94 174.04 1do9 s LEU 25 N 1.21 4.97 -0.19 2.97 1.43 -1.16 -2.37 118.68 125.54 1do9 s LEU 25 Ca 0.02 -2.62 -0.04 0.00 -1.03 0.00 0.00 54.13 50.45 1do9 s LEU 25 Cb -0.21 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.24 1do9 s LEU 25 CO -0.02 -0.38 0.23 1.41 0.23 0.00 0.00 176.35 177.82 1do9 n HIS 26 N 3.74 -1.26 -3.52 0.29 8.25 -1.26 -4.19 115.22 117.27 1do9 n HIS 26 Ca 0.04 0.50 -0.17 0.00 -0.26 0.00 0.00 57.72 57.83 1do9 n HIS 26 Cb 0.38 -2.47 -0.04 0.00 1.12 0.00 0.00 29.99 28.98 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 -0.64 -0.65 -3.75 4.41 1.44 -1.26 -4.90 115.22 109.87 1do9 n HIS 27 Ca 0.03 0.26 -0.11 0.00 -2.01 0.00 0.00 57.72 55.89 1do9 n HIS 27 Cb 0.26 -1.42 -0.07 0.00 0.12 0.00 0.00 29.99 28.87 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 -5.44 0.86 -0.26 -1.40 1.02 -1.26 -4.02 119.74 109.24 1do9 s LYS 28 Ca 0.05 -0.59 -0.02 0.00 0.02 0.00 0.00 55.97 55.42 1do9 s LYS 28 Cb -0.03 0.37 0.03 0.00 -0.52 0.00 0.00 37.83 37.68 1do9 s LYS 28 CO 0.51 -0.29 -0.04 0.08 -0.92 0.00 0.00 175.35 174.69 1do9 s VAL 29 N -2.93 2.98 0.37 3.17 1.01 -0.66 -2.96 120.40 121.38 1do9 s VAL 29 Ca -0.02 -1.04 0.08 0.00 0.00 0.00 0.00 61.98 60.99 1do9 s VAL 29 Cb 0.00 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 1do9 s VAL 29 CO -0.06 0.15 0.14 -0.31 0.00 0.00 0.00 175.10 175.02 1do9 s TYR 30 N 1.33 2.65 -0.23 5.22 2.02 -0.76 -1.00 117.35 126.59 1do9 s TYR 30 Ca -0.00 -0.46 -0.03 0.00 -0.37 0.00 0.00 57.07 56.20 1do9 s TYR 30 Cb -0.17 -1.74 0.10 0.00 -0.40 0.00 0.00 41.96 39.75 1do9 s TYR 30 CO -0.03 0.30 0.21 0.34 -1.57 0.00 0.00 175.55 174.80 1do9 s ASP 31 N -3.85 1.74 -0.34 2.29 2.15 0.50 -2.08 116.67 117.07 1do9 s ASP 31 Ca 0.39 -0.47 0.07 0.00 0.43 0.00 0.00 52.55 52.97 1do9 s ASP 31 Cb -0.00 0.28 0.50 0.00 -0.30 0.00 0.00 42.92 43.39 1do9 s ASP 31 CO 0.22 -0.35 1.49 0.18 -0.17 0.00 0.00 175.17 176.54 1do9 n LEU 32 N 5.31 4.71 0.24 -1.34 4.77 -0.77 -4.72 117.00 125.20 1do9 n LEU 32 Ca -0.05 -4.02 -0.16 0.00 -0.03 0.00 0.00 56.01 51.76 1do9 n LEU 32 Cb 0.48 -0.63 -0.08 0.00 -2.33 0.00 0.00 43.42 40.87 1do9 n LEU 32 CO 0.06 1.44 0.65 0.74 -1.33 0.00 0.00 177.39 178.96 1do9 h THR 33 N 1.21 0.33 0.00 -5.08 2.02 -1.93 0.39 112.91 109.85 1do9 h THR 33 Ca 0.30 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.48 1do9 h THR 33 Cb 1.58 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 1do9 h THR 33 CO 0.60 0.00 0.00 1.17 0.37 0.00 0.00 175.52 177.66 1do9 n LYS 34 N -5.44 0.70 -0.00 6.66 0.00 -1.26 -2.20 118.16 116.61 1do9 n LYS 34 Ca -0.10 0.01 0.09 0.00 0.00 0.00 0.00 58.31 58.31 1do9 n LYS 34 Cb 0.34 -1.50 -0.11 0.00 0.00 0.00 0.00 35.03 33.76 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 -1.08 0.00 0.14 5.64 7.35 -0.44 -4.39 117.46 124.68 1do9 n PHE 35 Ca 0.18 0.00 -0.17 0.00 -0.76 0.00 0.00 57.45 56.70 1do9 n PHE 35 Cb 0.12 -0.05 -0.10 0.00 0.35 0.00 0.00 39.48 39.80 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 -1.58 -2.20 -2.13 3.38 0.20 0.31 115.31 113.29 1do9 h LEU 36 Ca 0.00 0.16 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 1do9 h LEU 36 Cb 0.49 0.57 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 1do9 h LEU 36 CO 0.00 -0.58 0.08 -0.62 0.09 0.00 0.00 178.44 177.41 1do9 n GLU 37 N -5.50 2.14 0.00 1.13 1.02 -1.26 -3.34 120.64 114.83 1do9 n GLU 37 Ca -0.09 -1.15 0.00 0.00 -0.02 0.00 0.00 57.16 55.90 1do9 n GLU 37 Cb 0.42 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 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 0.12 0.57 -3.42 3.49 1.02 -0.20 -5.07 120.64 117.16 1do9 n GLU 38 Ca 0.14 -0.63 -0.37 0.00 -0.02 0.00 0.00 57.16 56.28 1do9 n GLU 38 Cb 0.71 -0.64 -0.07 0.00 -0.02 0.00 0.00 31.44 31.42 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 -0.21 3.46 -0.92 -0.32 2.46 0.91 -4.95 115.29 115.73 1do9 s HIS 39 Ca 0.00 0.71 -0.24 0.00 0.47 0.00 0.00 55.06 56.00 1do9 s HIS 39 Cb 0.00 -2.46 -0.02 0.00 -0.13 0.00 0.00 32.58 29.97 1do9 s HIS 39 CO 0.00 0.16 1.80 -1.25 -2.47 0.00 0.00 174.74 172.98 1do9 s PRO 40 N 0.69 2.84 0.00 2.88 0.04 -1.26 -3.93 135.00 136.27 1do9 s PRO 40 Ca 0.21 -0.47 0.00 0.00 0.04 0.00 0.00 61.00 60.78 1do9 s PRO 40 Cb -0.14 -5.09 0.00 0.00 0.04 0.00 0.00 34.50 29.31 1do9 s PRO 40 CO 0.07 -3.01 0.00 0.41 0.04 0.00 0.00 177.00 174.51 1do9 n GLY 41 N 6.78 -0.49 3.61 0.56 0.00 -1.26 -5.13 105.19 109.27 1do9 n GLY 41 Ca 0.37 0.23 -0.09 0.00 0.00 0.00 0.00 46.02 46.53 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 0.29 -0.06 -0.02 0.00 -1.25 -5.06 107.32 101.22 1do9 s GLY 42 Ca 0.00 -0.64 0.06 0.00 0.00 0.00 0.00 44.72 44.13 1do9 s GLY 42 CO 0.00 -0.46 0.03 -1.84 0.00 0.00 0.00 173.10 170.83 1do9 n GLU 43 N -0.38 2.73 -0.01 2.90 0.00 -1.26 -4.63 120.64 119.99 1do9 n GLU 43 Ca -0.04 -0.01 -0.12 0.00 0.00 0.00 0.00 57.16 57.00 1do9 n GLU 43 Cb 0.61 -1.16 0.02 0.00 0.00 0.00 0.00 31.44 30.91 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 0.65 0.00 3.44 4.81 -1.97 -0.16 114.58 121.35 1do9 h GLU 44 Ca -0.15 -0.43 0.00 0.00 -0.13 0.00 0.00 59.36 58.65 1do9 h GLU 44 Cb 1.29 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.72 1do9 h GLU 44 CO 0.01 1.05 0.33 -0.39 -0.73 0.00 0.00 179.01 179.28 1do9 h VAL 45 N 0.49 0.00 0.00 0.32 -1.51 -2.00 0.22 116.25 113.77 1do9 h VAL 45 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1do9 h VAL 45 Cb 1.16 0.52 0.00 0.00 -2.13 0.00 0.00 31.29 30.85 1do9 h VAL 45 CO 0.12 0.00 -1.62 0.18 -1.23 0.00 0.00 177.57 175.02 1do9 n LEU 46 N -2.59 0.31 0.05 4.19 4.77 -0.11 -3.99 117.00 119.63 1do9 n LEU 46 Ca -0.02 0.04 -0.18 0.00 -0.03 0.00 0.00 56.01 55.82 1do9 n LEU 46 Cb 0.37 -0.02 -0.14 0.00 -2.33 0.00 0.00 43.42 41.29 1do9 n LEU 46 CO 0.10 -0.02 -0.49 -0.09 -1.33 0.00 0.00 177.39 175.57 1do9 h ARG 47 N 0.00 0.26 0.00 3.23 2.43 -0.26 -2.63 114.38 117.41 1do9 h ARG 47 Ca 0.00 -0.45 -0.06 0.00 -0.81 0.00 0.00 59.98 58.66 1do9 h ARG 47 Cb 0.94 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 1do9 h ARG 47 CO 0.00 1.12 -0.27 0.93 -1.51 0.00 0.00 179.97 180.24 1do9 h GLU 48 N 0.07 0.00 -0.07 0.20 4.39 -1.11 -1.88 114.58 116.18 1do9 h GLU 48 Ca -0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.40 1do9 h GLU 48 Cb 2.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.69 1do9 h GLU 48 CO 0.15 0.27 0.00 1.04 -1.16 0.00 0.00 179.01 179.31 1do9 n GLN 49 N -3.87 2.04 -1.65 2.33 3.00 -1.25 -4.95 117.38 113.02 1do9 n GLN 49 Ca -0.02 -1.83 -0.42 0.00 -0.01 0.00 0.00 57.00 54.72 1do9 n GLN 49 Cb 0.36 -1.42 -0.00 0.00 0.00 0.00 0.00 30.24 29.18 1do9 n GLN 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1do9 n ALA 50 N 1.23 0.67 -2.13 -1.58 0.00 -0.71 -0.72 120.51 117.26 1do9 n ALA 50 Ca 0.13 0.32 -0.13 0.00 0.00 0.00 0.00 53.44 53.76 1do9 n ALA 50 Cb 0.54 -2.16 -0.02 0.00 0.00 0.00 0.00 19.45 17.81 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 0.98 0.01 3.47 0.00 0.00 0.03 -4.90 105.19 104.78 1do9 n GLY 51 Ca 0.07 0.00 -0.13 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 1.30 -0.25 -0.02 0.00 0.10 -4.39 107.32 102.00 1do9 s GLY 52 Ca 0.00 -1.42 -0.29 0.00 0.00 0.00 0.00 44.72 43.01 1do9 s GLY 52 CO 0.00 -0.99 1.22 0.99 0.00 0.00 0.00 173.10 174.32 1do9 s ASP 53 N -3.18 6.85 0.00 1.64 1.01 -1.26 -1.07 116.67 120.66 1do9 s ASP 53 Ca 0.30 1.35 0.19 0.00 0.71 0.00 0.00 52.55 55.10 1do9 s ASP 53 Cb 0.01 -2.54 0.04 0.00 1.01 0.00 0.00 42.92 41.43 1do9 s ASP 53 CO 0.17 -0.90 1.01 0.00 0.21 0.00 0.00 175.17 175.66 1do9 n ALA 54 N 7.02 3.11 -0.15 5.23 0.00 -1.00 -4.58 120.51 130.14 1do9 n ALA 54 Ca 0.14 -0.61 0.05 0.00 0.00 0.00 0.00 53.44 53.02 1do9 n ALA 54 Cb 0.46 -0.67 0.36 0.00 0.00 0.00 0.00 19.45 19.60 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 2.60 1.05 -0.93 0.00 2.02 -1.89 0.13 112.91 115.90 1do9 h THR 55 Ca 0.00 -0.25 0.14 0.00 0.77 0.00 0.00 66.41 67.06 1do9 h THR 55 Cb 0.70 0.25 -0.09 0.00 -1.74 0.00 0.00 68.15 67.27 1do9 h THR 55 CO 0.00 0.14 0.54 -0.33 0.37 0.00 0.00 175.52 176.24 1do9 h GLU 56 N 0.74 0.79 0.08 6.66 5.08 -1.93 -0.46 114.58 125.54 1do9 h GLU 56 Ca 0.28 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1do9 h GLU 56 Cb 0.16 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1do9 h GLU 56 CO -0.08 0.52 -0.04 -0.91 -1.00 0.00 0.00 179.01 177.50 1do9 h ASN 57 N 0.81 -0.09 -1.02 1.42 4.21 -1.48 -1.93 115.58 117.49 1do9 h ASN 57 Ca 0.49 -0.43 0.30 0.00 1.21 0.00 0.00 56.30 57.86 1do9 h ASN 57 Cb 0.59 0.02 -0.14 0.00 -1.12 0.00 0.00 38.32 37.68 1do9 h ASN 57 CO -0.31 0.57 0.60 0.15 -1.29 0.00 0.00 177.43 177.15 1do9 h PHE 58 N -0.94 0.91 0.03 1.19 3.57 -0.60 0.11 116.94 121.21 1do9 h PHE 58 Ca -0.01 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1do9 h PHE 58 Cb 0.52 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.01 1do9 h PHE 58 CO 0.12 -0.09 -0.01 0.93 -2.23 0.00 0.00 178.31 177.03 1do9 h GLU 59 N 0.39 -0.04 -1.00 1.11 4.39 -1.17 -2.56 114.58 115.70 1do9 h GLU 59 Ca 0.70 0.00 0.18 0.00 0.34 0.00 0.00 59.36 60.58 1do9 h GLU 59 Cb 1.58 0.01 -0.10 0.00 -0.10 0.00 0.00 28.75 30.14 1do9 h GLU 59 CO -0.53 0.65 0.62 0.22 -1.16 0.00 0.00 179.01 178.81 1do9 h ASP 60 N -0.90 0.79 -0.04 1.42 1.82 -0.50 0.12 116.42 119.13 1do9 h ASP 60 Ca -0.00 0.09 -0.00 0.00 -0.39 0.00 0.00 57.03 56.72 1do9 h ASP 60 Cb 0.71 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 40.66 1do9 h ASP 60 CO 0.01 0.31 0.02 0.58 -1.61 0.00 0.00 179.24 178.54 1do9 h VAL 61 N 0.79 1.11 -0.32 2.25 2.07 -0.89 -3.47 116.25 117.79 1do9 h VAL 61 Ca 0.56 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.76 1do9 h VAL 61 Cb 0.84 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1do9 h VAL 61 CO -0.35 0.09 0.00 0.61 0.02 0.00 0.00 177.57 177.94 1do9 n GLY 62 N -0.75 1.02 3.28 2.17 0.00 0.41 -4.99 105.19 106.33 1do9 n GLY 62 Ca -0.07 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.98 -2.56 -1.23 1.61 8.25 -1.17 -4.99 115.22 113.14 1do9 n HIS 63 Ca 0.00 0.28 -0.29 0.00 -0.26 0.00 0.00 57.72 57.45 1do9 n HIS 63 Cb 0.28 -1.72 0.15 0.00 1.12 0.00 0.00 29.99 29.82 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 -1.24 3.16 0.11 0.41 0.01 -1.26 -4.92 113.70 109.97 1do9 s SER 64 Ca 0.56 1.31 -0.11 0.00 1.31 0.00 0.00 55.95 59.02 1do9 s SER 64 Cb -0.35 -1.98 -0.14 0.00 0.21 0.00 0.00 66.02 63.76 1do9 s SER 64 CO 0.67 -2.81 1.30 0.74 0.41 0.00 0.00 173.24 173.55 1do9 h THR 65 N -1.67 1.29 -0.69 1.44 2.02 -1.99 -2.48 112.91 110.85 1do9 h THR 65 Ca -0.52 -2.06 0.10 0.00 0.77 0.00 0.00 66.41 64.70 1do9 h THR 65 Cb 1.31 2.09 -0.04 0.00 -1.74 0.00 0.00 68.15 69.76 1do9 h THR 65 CO 0.57 0.65 0.45 -0.78 0.37 0.00 0.00 175.52 176.78 1do9 h ASP 66 N 0.47 0.50 -0.41 4.18 1.82 -2.00 0.13 116.42 121.11 1do9 h ASP 66 Ca -0.07 0.01 -0.12 0.00 -0.39 0.00 0.00 57.03 56.46 1do9 h ASP 66 Cb 1.46 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 41.37 1do9 h ASP 66 CO 0.17 0.30 -0.22 0.00 -1.61 0.00 0.00 179.24 177.88 1do9 h ALA 67 N 1.65 0.59 0.00 -0.78 0.00 -1.90 -1.97 119.26 116.85 1do9 h ALA 67 Ca 0.32 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1do9 h ALA 67 Cb 0.49 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1do9 h ALA 67 CO -0.10 0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.71 1do9 h ARG 68 N 0.70 0.00 0.08 0.00 2.47 -0.30 -2.86 114.38 114.47 1do9 h ARG 68 Ca 0.09 0.00 -0.33 0.00 -1.26 0.00 0.00 59.98 58.48 1do9 h ARG 68 Cb 0.79 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.08 1do9 h ARG 68 CO 0.06 0.00 -1.81 0.39 0.56 0.00 0.00 179.97 179.17 1do9 n GLU 69 N -2.42 0.69 -0.24 0.04 1.02 -0.80 -3.99 120.64 114.94 1do9 n GLU 69 Ca 0.00 0.35 0.13 0.00 -0.02 0.00 0.00 57.16 57.62 1do9 n GLU 69 Cb 0.15 -1.71 0.41 0.00 -0.02 0.00 0.00 31.44 30.27 1do9 n GLU 69 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1do9 h LEU 70 N -0.29 0.59 -1.39 -4.62 3.38 -1.24 0.21 115.31 111.95 1do9 h LEU 70 Ca -0.42 0.03 0.16 0.00 0.09 0.00 0.00 57.88 57.74 1do9 h LEU 70 Cb 1.80 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 42.40 1do9 h LEU 70 CO -0.02 0.30 0.56 0.77 0.09 0.00 0.00 178.44 180.14 1do9 h SER 71 N 0.63 0.55 0.07 -0.43 4.64 -1.64 -0.83 113.55 116.54 1do9 h SER 71 Ca 0.42 0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1do9 h SER 71 Cb 0.74 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1do9 h SER 71 CO -0.18 0.27 -0.01 0.50 -0.87 0.00 0.00 176.83 176.54 1do9 h LYS 72 N 0.58 0.00 -0.11 4.77 3.64 -0.73 0.15 116.57 124.87 1do9 h LYS 72 Ca 0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 1do9 h LYS 72 Cb 0.83 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1do9 h LYS 72 CO -0.18 0.01 0.00 -2.37 -2.27 0.00 0.00 179.45 174.64 1do9 n THR 73 N -3.49 0.12 0.32 1.00 5.66 -0.33 -4.07 114.28 113.49 1do9 n THR 73 Ca -0.03 -0.50 0.04 0.00 -3.05 0.00 0.00 64.05 60.51 1do9 n THR 73 Cb 0.10 1.13 -0.05 0.00 -1.55 0.00 0.00 70.33 69.97 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 1.10 0.00 -1.90 1.09 3.72 0.39 -4.95 117.46 116.91 1do9 n PHE 74 Ca 0.16 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.14 1do9 n PHE 74 Cb 0.54 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 39.03 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 -1.86 3.39 -2.57 4.37 2.07 -0.41 -0.37 121.20 125.82 1do9 s ILE 75 Ca 0.02 0.44 0.23 0.00 -1.41 0.00 0.00 60.65 59.93 1do9 s ILE 75 Cb 0.06 -3.38 0.33 0.00 0.13 0.00 0.00 42.46 39.60 1do9 s ILE 75 CO 0.33 -0.15 1.33 2.30 -1.91 0.00 0.00 174.94 176.84 1do9 n ILE 76 N 6.42 0.33 -3.73 2.00 -6.64 -0.17 -4.93 119.36 112.63 1do9 n ILE 76 Ca 0.21 -0.66 0.00 0.00 -1.77 0.00 0.00 62.75 60.53 1do9 n ILE 76 Cb 0.44 1.16 0.00 0.00 -1.44 0.00 0.00 39.64 39.80 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 1.40 -1.17 3.02 3.28 0.00 -0.95 -2.86 105.19 107.90 1do9 n GLY 77 Ca 0.17 -1.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.47 0.40 0.18 1.61 -1.05 -1.26 -1.66 118.70 115.46 1do9 s GLU 78 Ca 0.00 -0.69 -0.33 0.00 -0.15 0.00 0.00 54.97 53.80 1do9 s GLU 78 Cb 0.00 -0.04 -0.15 0.00 -0.44 0.00 0.00 34.13 33.51 1do9 s GLU 78 CO 0.00 -0.02 1.35 1.28 0.95 0.00 0.00 175.26 178.83 1do9 n LEU 79 N 1.49 2.38 -4.35 1.83 4.32 -1.26 -3.01 117.00 118.41 1do9 n LEU 79 Ca -0.23 1.13 -0.39 0.00 -0.02 0.00 0.00 56.01 56.50 1do9 n LEU 79 Cb 0.55 -1.32 0.02 0.00 -1.62 0.00 0.00 43.42 41.05 1do9 n LEU 79 CO 0.21 -0.79 -0.33 1.41 -1.22 0.00 0.00 177.39 176.67 1do9 n HIS 80 N 2.17 -1.91 0.05 -1.77 8.25 -0.83 -4.81 115.22 116.36 1do9 n HIS 80 Ca 0.15 0.45 -0.07 0.00 -0.26 0.00 0.00 57.72 57.99 1do9 n HIS 80 Cb 0.27 -1.81 0.10 0.00 1.12 0.00 0.00 29.99 29.67 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 0.11 0.37 -0.96 -0.41 0.13 -1.92 -2.59 132.00 126.72 1do9 h PRO 81 Ca -0.43 -0.24 0.11 0.00 -0.87 0.00 0.00 66.00 64.57 1do9 h PRO 81 Cb 1.43 0.03 -0.08 0.00 0.13 0.00 0.00 31.00 32.51 1do9 h PRO 81 CO 0.44 0.84 0.61 0.22 -0.23 0.00 0.00 178.00 179.88 1do9 h ASP 82 N 0.28 0.87 -1.73 1.44 3.58 -2.00 -0.62 116.42 118.24 1do9 h ASP 82 Ca 0.00 0.04 -0.72 0.00 0.42 0.00 0.00 57.03 56.77 1do9 h ASP 82 Cb 1.08 -0.14 -0.30 0.00 1.72 0.00 0.00 39.33 41.69 1do9 h ASP 82 CO 0.10 0.48 0.69 0.47 -2.88 0.00 0.00 179.24 178.10 1do9 n ASP 83 N -4.57 7.03 0.00 2.28 8.00 -0.99 -4.37 116.55 123.92 1do9 n ASP 83 Ca 0.17 -3.81 0.00 0.00 0.71 0.00 0.00 54.79 51.86 1do9 n ASP 83 Cb 0.34 -0.93 0.00 0.00 -0.02 0.00 0.00 41.12 40.50 1do9 n ASP 83 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1do9 n ARG 84 N -0.59 0.00 -2.46 -1.24 0.63 -0.24 -4.69 116.66 108.07 1do9 n ARG 84 Ca 0.53 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 57.18 1do9 n ARG 84 Cb 0.39 -0.84 0.00 0.00 0.45 0.00 0.00 32.46 32.46 1do9 n ARG 84 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1do9 n SER 85 N -2.61 4.82 0.00 6.15 2.88 -1.25 -4.67 113.62 118.94 1do9 n SER 85 Ca 0.00 -3.72 0.00 0.00 -1.33 0.00 0.00 58.87 53.82 1do9 n SER 85 Cb 0.48 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1do9 n SER 85 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1do9 n LYS 86 N -0.48 0.00 -0.40 -1.46 4.81 -1.26 -5.12 118.16 114.26 1do9 n LYS 86 Ca 0.39 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.55 1do9 n LYS 86 Cb 0.64 -0.07 0.27 0.00 0.02 0.00 0.00 35.03 35.89 1do9 n LYS 86 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 1do9 n LEU 87 N -2.13 -1.46 -2.29 3.14 -0.00 -1.26 -4.74 117.00 108.26 1do9 n LEU 87 Ca 0.00 -0.42 -0.04 0.00 -0.00 0.00 0.00 56.01 55.54 1do9 n LEU 87 Cb 0.00 -1.15 -0.04 0.00 -0.00 0.00 0.00 43.42 42.24 1do9 n LEU 87 CO 0.00 -3.77 -0.49 -0.24 -0.00 0.00 0.00 177.39 172.89 1do9 n SER 88 N -5.06 -0.75 -3.63 1.45 2.88 -1.26 -5.02 113.62 102.22 1do9 n SER 88 Ca 0.06 0.98 -0.12 0.00 -1.33 0.00 0.00 58.87 58.45 1do9 n SER 88 Cb 0.56 -4.10 -0.07 0.00 -0.75 0.00 0.00 64.21 59.85 1do9 n SER 88 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1do9 s LYS 89 N -0.77 0.77 0.67 -1.46 2.20 -1.26 -5.16 119.74 114.72 1do9 s LYS 89 Ca -0.21 0.99 -0.12 0.00 -0.36 0.00 0.00 55.97 56.26 1do9 s LYS 89 Cb 0.01 0.34 -0.01 0.00 -1.51 0.00 0.00 37.83 36.67 1do9 s LYS 89 CO 0.58 -0.10 1.06 -1.25 -0.36 0.00 0.00 175.35 175.27 1do9 s PRO 90 N 0.60 3.08 -0.00 4.03 0.04 -1.26 -5.07 135.00 136.41 1do9 s PRO 90 Ca -0.02 0.99 -0.30 0.00 0.04 0.00 0.00 61.00 61.71 1do9 s PRO 90 Cb -0.05 -2.01 0.11 0.00 0.04 0.00 0.00 34.50 32.59 1do9 s PRO 90 CO -0.04 -0.99 1.15 0.00 0.04 0.00 0.00 177.00 177.17 1do9 s MET 91 N -4.85 0.63 0.24 4.56 0.23 -1.26 -5.20 119.30 113.65 1do9 s MET 91 Ca 0.59 -0.32 -0.22 0.00 -1.03 0.00 0.00 55.69 54.71 1do9 s MET 91 Cb -0.14 0.23 0.04 0.00 -1.53 0.00 0.00 34.83 33.43 1do9 s MET 91 CO 0.51 -0.28 0.70 -1.21 -2.03 0.00 0.00 175.02 172.71 1do9 s GLU 92 N -2.71 1.61 0.24 3.16 2.02 -1.26 -5.10 118.70 116.65 1do9 s GLU 92 Ca 0.12 -0.82 0.00 0.00 0.02 0.00 0.00 54.97 54.29 1do9 s GLU 92 Cb 0.02 0.59 0.00 0.00 0.10 0.00 0.00 34.13 34.84 1do9 s GLU 92 CO -0.03 -0.73 0.00 2.41 0.02 0.00 0.00 175.26 176.93 1do9 n THR 93 N -0.44 0.00 -1.31 3.63 -1.04 -1.26 -5.36 114.28 108.51 1do9 n THR 93 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1do9 n THR 93 Cb 0.61 -0.49 0.00 0.00 -1.82 0.00 0.00 70.33 68.63 1do9 n THR 93 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43