#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 -2.15 -1.21 0.11 5.02 -1.26 -4.82 118.16 113.84 1do9 n LYS 2 Ca 0.00 1.84 -0.29 0.00 -2.02 0.00 0.00 58.31 57.84 1do9 n LYS 2 Cb 0.00 -3.88 -0.08 0.00 -0.02 0.00 0.00 35.03 31.05 1do9 n LYS 2 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1do9 n ASP 3 N 0.08 7.42 -3.43 4.39 2.03 -1.26 -4.68 116.55 121.11 1do9 n ASP 3 Ca 0.02 -2.56 -0.26 0.00 0.52 0.00 0.00 54.79 52.51 1do9 n ASP 3 Cb 0.47 -1.50 -0.11 0.00 -0.72 0.00 0.00 41.12 39.26 1do9 n ASP 3 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1do9 s VAL 4 N 1.59 0.02 -2.16 5.18 1.01 -1.26 -4.20 120.40 120.58 1do9 s VAL 4 Ca 0.68 -1.56 0.19 0.00 0.00 0.00 0.00 61.98 61.29 1do9 s VAL 4 Cb 0.23 -1.00 0.47 0.00 0.00 0.00 0.00 36.38 36.08 1do9 s VAL 4 CO -0.04 -0.90 1.58 1.17 0.00 0.00 0.00 175.10 176.91 1do9 n LYS 5 N 4.05 1.46 -3.19 2.72 4.81 -1.24 -4.82 118.16 121.94 1do9 n LYS 5 Ca 0.12 -0.69 -0.25 0.00 -0.87 0.00 0.00 58.31 56.63 1do9 n LYS 5 Cb 0.39 -1.34 0.03 0.00 0.02 0.00 0.00 35.03 34.12 1do9 n LYS 5 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1do9 n TYR 6 N -0.08 -1.68 -4.01 5.64 4.01 -1.25 -4.91 117.16 114.88 1do9 n TYR 6 Ca 0.15 0.71 -0.31 0.00 -0.16 0.00 0.00 57.90 58.29 1do9 n TYR 6 Cb 0.23 -1.37 -0.06 0.00 -0.31 0.00 0.00 39.34 37.83 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 -1.19 3.31 0.15 -0.72 2.02 -0.89 -4.79 117.35 115.24 1do9 s TYR 7 Ca 0.24 0.15 -0.09 0.00 -0.37 0.00 0.00 57.07 57.00 1do9 s TYR 7 Cb -0.03 -1.68 -0.06 0.00 -0.40 0.00 0.00 41.96 39.80 1do9 s TYR 7 CO 0.55 0.55 0.46 0.95 -1.57 0.00 0.00 175.55 176.49 1do9 s THR 8 N -1.42 5.03 0.25 -0.71 -4.23 -1.26 -0.69 115.64 112.61 1do9 s THR 8 Ca 0.31 0.41 -0.11 0.00 -1.18 0.00 0.00 61.69 61.12 1do9 s THR 8 Cb -0.12 -3.64 0.37 0.00 1.34 0.00 0.00 72.50 70.44 1do9 s THR 8 CO 0.23 0.11 1.58 -0.07 -0.54 0.00 0.00 174.62 175.94 1do9 h LEU 9 N 3.12 -0.85 -0.63 4.79 -0.00 -1.99 0.33 115.31 120.08 1do9 h LEU 9 Ca -0.48 0.26 0.11 0.00 -0.00 0.00 0.00 57.88 57.77 1do9 h LEU 9 Cb 1.18 0.55 -0.08 0.00 -0.00 0.00 0.00 40.66 42.31 1do9 h LEU 9 CO 0.69 -0.29 0.22 -0.33 -0.00 0.00 0.00 178.44 178.72 1do9 h GLU 10 N -0.01 0.37 -0.45 1.13 5.08 -1.98 -0.78 114.58 117.95 1do9 h GLU 10 Ca 0.41 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.76 1do9 h GLU 10 Cb 0.63 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1do9 h GLU 10 CO -0.89 0.24 0.28 1.49 -1.00 0.00 0.00 179.01 179.13 1do9 h GLU 11 N 0.38 0.55 -0.86 2.33 4.57 -0.76 -0.62 114.58 120.16 1do9 h GLU 11 Ca 0.33 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.48 1do9 h GLU 11 Cb 0.44 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.86 1do9 h GLU 11 CO -0.35 0.36 0.56 0.82 -1.18 0.00 0.00 179.01 179.23 1do9 h ILE 12 N 0.57 1.23 0.00 2.32 5.03 -0.60 0.14 117.51 126.19 1do9 h ILE 12 Ca 0.17 -0.43 -0.02 0.00 -0.12 0.00 0.00 64.86 64.46 1do9 h ILE 12 Cb -0.02 -0.03 -0.00 0.00 -3.03 0.00 0.00 36.82 33.73 1do9 h ILE 12 CO -0.06 0.22 -0.09 0.11 -0.68 0.00 0.00 178.15 177.65 1do9 h LYS 13 N 1.17 0.00 -0.07 2.37 6.56 -0.25 -0.84 116.57 125.52 1do9 h LYS 13 Ca 0.31 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.90 1do9 h LYS 13 Cb -0.11 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.55 1do9 h LYS 13 CO -0.07 0.09 0.00 1.63 -2.06 0.00 0.00 179.45 179.05 1do9 n LYS 14 N -3.48 1.04 -0.07 3.15 4.01 0.49 -3.15 118.16 120.15 1do9 n LYS 14 Ca -0.01 -0.06 0.03 0.00 -0.51 0.00 0.00 58.31 57.76 1do9 n LYS 14 Cb 0.24 -1.04 0.07 0.00 -0.51 0.00 0.00 35.03 33.79 1do9 n LYS 14 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1do9 n HIS 15 N -0.43 0.18 -2.76 2.13 8.25 -0.32 -4.89 115.22 117.38 1do9 n HIS 15 Ca 0.01 -0.32 -0.43 0.00 -0.26 0.00 0.00 57.72 56.71 1do9 n HIS 15 Cb 0.03 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.12 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 0.19 5.26 0.01 0.41 5.03 -1.19 -3.45 115.26 121.52 1do9 n ASN 16 Ca 0.06 -3.05 0.00 0.00 0.87 0.00 0.00 54.58 52.46 1do9 n ASN 16 Cb 0.29 -1.51 0.00 0.00 -1.02 0.00 0.00 39.78 37.53 1do9 n ASN 16 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1do9 n HIS 17 N 4.61 -0.18 0.00 3.10 1.44 -1.26 -5.06 115.22 117.88 1do9 n HIS 17 Ca 0.37 0.03 0.00 0.00 -2.01 0.00 0.00 57.72 56.11 1do9 n HIS 17 Cb 0.40 0.34 0.00 0.00 0.12 0.00 0.00 29.99 30.85 1do9 n HIS 17 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1do9 n SER 18 N -2.75 0.00 -1.18 4.39 7.64 -1.26 -4.98 113.62 115.49 1do9 n SER 18 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 1do9 n SER 18 Cb 0.15 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.39 1do9 n SER 18 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1do9 n LYS 19 N 0.00 1.34 -0.62 1.43 0.00 -1.26 -3.17 118.16 115.88 1do9 n LYS 19 Ca 0.00 -0.61 -0.02 0.00 -0.00 0.00 0.00 58.31 57.68 1do9 n LYS 19 Cb 0.00 -1.30 -0.02 0.00 -0.00 0.00 0.00 35.03 33.71 1do9 n LYS 19 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1do9 n SER 20 N 0.16 -0.30 -4.50 -5.58 7.64 -1.26 -5.06 113.62 104.73 1do9 n SER 20 Ca 0.11 -0.62 -0.18 0.00 1.01 0.00 0.00 58.87 59.19 1do9 n SER 20 Cb 0.69 0.09 -0.17 0.00 -1.01 0.00 0.00 64.21 63.81 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 0.00 -2.91 0.44 -1.04 -1.19 -4.47 114.28 105.11 1do9 n THR 21 Ca -0.08 -0.49 -0.19 0.00 -2.04 0.00 0.00 64.05 61.24 1do9 n THR 21 Cb 0.38 -0.60 0.05 0.00 -1.82 0.00 0.00 70.33 68.33 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 4.55 2.15 0.12 -1.42 0.52 -1.26 -2.00 118.94 121.59 1do9 s TRP 22 Ca 1.14 -0.45 -0.26 0.00 0.02 0.00 0.00 56.10 56.56 1do9 s TRP 22 Cb -0.60 -2.45 0.08 0.00 -1.15 0.00 0.00 33.47 29.35 1do9 s TRP 22 CO 0.40 -0.92 1.06 -0.48 0.02 0.00 0.00 176.95 177.03 1do9 s LEU 23 N -4.63 -0.10 -0.68 2.99 0.05 -0.70 -0.90 118.68 114.71 1do9 s LEU 23 Ca 0.59 -0.40 -0.03 0.00 0.05 0.00 0.00 54.13 54.34 1do9 s LEU 23 Cb -0.08 1.95 0.17 0.00 -2.05 0.00 0.00 46.19 46.18 1do9 s LEU 23 CO 0.37 -0.77 0.51 -0.63 -0.55 0.00 0.00 176.35 175.28 1do9 s ILE 24 N -2.81 3.91 -0.49 1.48 1.01 -0.31 -1.93 121.20 122.05 1do9 s ILE 24 Ca 0.15 -3.09 -0.16 0.00 0.00 0.00 0.00 60.65 57.55 1do9 s ILE 24 Cb -0.00 -3.52 0.08 0.00 0.01 0.00 0.00 42.46 39.03 1do9 s ILE 24 CO 0.02 -0.92 0.45 -0.76 0.00 0.00 0.00 174.94 173.73 1do9 s LEU 25 N -0.27 5.66 0.00 2.97 1.43 -1.25 -2.37 118.68 124.85 1do9 s LEU 25 Ca 0.19 -1.38 0.00 0.00 -1.03 0.00 0.00 54.13 51.90 1do9 s LEU 25 Cb -0.18 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 43.82 1do9 s LEU 25 CO -0.05 -0.74 0.00 1.41 0.23 0.00 0.00 176.35 177.20 1do9 n HIS 26 N 5.36 -1.84 -0.12 0.29 8.25 -1.26 -3.99 115.22 121.92 1do9 n HIS 26 Ca -0.12 0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1do9 n HIS 26 Cb 0.43 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.24 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 -1.04 0.00 -3.83 4.41 1.44 -1.26 -4.68 115.22 110.26 1do9 n HIS 27 Ca 0.00 -0.31 -0.09 0.00 -2.01 0.00 0.00 57.72 55.31 1do9 n HIS 27 Cb 0.06 -0.32 -0.07 0.00 0.12 0.00 0.00 29.99 29.79 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 1.30 0.85 -0.25 -1.40 1.02 -1.26 -4.27 119.74 115.74 1do9 s LYS 28 Ca 0.00 -0.87 -0.10 0.00 0.02 0.00 0.00 55.97 55.02 1do9 s LYS 28 Cb 0.00 0.35 -0.05 0.00 -0.52 0.00 0.00 37.83 37.61 1do9 s LYS 28 CO 0.00 -0.27 0.15 0.08 -0.92 0.00 0.00 175.35 174.39 1do9 s VAL 29 N -3.64 5.23 0.22 3.17 1.01 -0.66 -3.85 120.40 121.89 1do9 s VAL 29 Ca 0.03 0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.22 1do9 s VAL 29 Cb 0.04 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 1do9 s VAL 29 CO -0.10 0.33 0.09 -0.31 0.00 0.00 0.00 175.10 175.11 1do9 s TYR 30 N 1.21 2.95 -0.18 5.22 1.51 -0.81 -1.89 117.35 125.35 1do9 s TYR 30 Ca 0.07 -0.13 -0.04 0.00 -1.01 0.00 0.00 57.07 55.96 1do9 s TYR 30 Cb -0.14 -1.36 0.09 0.00 -0.11 0.00 0.00 41.96 40.44 1do9 s TYR 30 CO 0.06 0.55 0.22 0.34 -1.11 0.00 0.00 175.55 175.60 1do9 s ASP 31 N -3.48 1.25 -0.19 2.29 -1.08 0.68 -1.72 116.67 114.42 1do9 s ASP 31 Ca 0.31 -0.11 0.12 0.00 -0.52 0.00 0.00 52.55 52.35 1do9 s ASP 31 Cb -0.08 0.38 0.42 0.00 -1.46 0.00 0.00 42.92 42.18 1do9 s ASP 31 CO 0.22 -0.31 1.21 0.00 0.52 0.00 0.00 175.17 176.81 1do9 n LEU 32 N 5.32 2.59 0.28 -1.34 -0.00 -0.85 -4.47 117.00 118.55 1do9 n LEU 32 Ca -0.05 -3.76 -0.17 0.00 -0.00 0.00 0.00 56.01 52.03 1do9 n LEU 32 Cb 0.50 -0.49 -0.08 0.00 -0.00 0.00 0.00 43.42 43.34 1do9 n LEU 32 CO 0.07 1.33 0.63 0.74 -0.00 0.00 0.00 177.39 180.17 1do9 h THR 33 N 1.34 0.28 0.00 1.47 2.02 -1.88 0.58 112.91 116.72 1do9 h THR 33 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1do9 h THR 33 Cb 1.05 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1do9 h THR 33 CO 0.01 0.00 0.00 1.17 0.37 0.00 0.00 175.52 177.07 1do9 n LYS 34 N -5.48 0.11 0.00 6.66 4.81 -1.26 -2.58 118.16 120.42 1do9 n LYS 34 Ca -0.11 0.17 0.09 0.00 -0.87 0.00 0.00 58.31 57.58 1do9 n LYS 34 Cb 0.37 -1.50 -0.10 0.00 0.02 0.00 0.00 35.03 33.82 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 -1.41 0.00 0.00 5.64 7.35 -0.36 -4.27 117.46 124.41 1do9 n PHE 35 Ca 0.06 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.75 1do9 n PHE 35 Cb 0.17 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.00 1do9 n PHE 35 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1do9 n LEU 36 N -1.37 0.00 0.13 -2.13 4.77 0.19 0.70 117.00 119.29 1do9 n LEU 36 Ca 0.04 0.93 0.12 0.00 -0.03 0.00 0.00 56.01 57.07 1do9 n LEU 36 Cb 0.30 -0.43 0.49 0.00 -2.33 0.00 0.00 43.42 41.44 1do9 n LEU 36 CO 0.37 -0.43 0.85 -1.84 -1.33 0.00 0.00 177.39 175.01 1do9 n GLU 37 N -2.24 0.19 -0.02 3.23 0.28 -1.26 -2.31 120.64 118.52 1do9 n GLU 37 Ca 0.00 0.42 0.13 0.00 -0.16 0.00 0.00 57.16 57.55 1do9 n GLU 37 Cb 0.00 -1.87 0.55 0.00 1.43 0.00 0.00 31.44 31.56 1do9 n GLU 37 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1do9 n GLU 38 N -2.23 1.57 -3.03 3.44 2.13 -0.53 -4.86 120.64 117.13 1do9 n GLU 38 Ca 0.02 -0.83 -0.41 0.00 0.66 0.00 0.00 57.16 56.61 1do9 n GLU 38 Cb 0.23 -1.46 -0.05 0.00 0.27 0.00 0.00 31.44 30.43 1do9 n GLU 38 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1do9 s HIS 39 N -1.96 3.39 -1.12 4.31 2.46 0.22 -4.96 115.29 117.63 1do9 s HIS 39 Ca 0.38 1.05 -0.22 0.00 0.47 0.00 0.00 55.06 56.74 1do9 s HIS 39 Cb 0.20 -2.88 -0.03 0.00 -0.13 0.00 0.00 32.58 29.74 1do9 s HIS 39 CO 0.32 -0.20 1.84 -1.25 -2.47 0.00 0.00 174.74 172.98 1do9 s PRO 40 N 2.00 2.96 0.00 2.88 0.04 -1.26 -3.81 135.00 137.81 1do9 s PRO 40 Ca 0.32 -1.13 0.00 0.00 0.04 0.00 0.00 61.00 60.24 1do9 s PRO 40 Cb -0.16 -5.28 0.00 0.00 0.04 0.00 0.00 34.50 29.10 1do9 s PRO 40 CO 0.11 -3.26 0.00 0.41 0.04 0.00 0.00 177.00 174.30 1do9 n GLY 41 N 6.11 -0.99 3.52 0.56 0.00 -1.26 -5.13 105.19 108.00 1do9 n GLY 41 Ca 0.43 0.38 -0.13 0.00 0.00 0.00 0.00 46.02 46.71 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 -0.47 0.10 -0.02 0.00 -1.25 -5.03 107.32 100.64 1do9 s GLY 42 Ca 0.00 1.81 -0.01 0.00 0.00 0.00 0.00 44.72 46.52 1do9 s GLY 42 CO 0.00 1.62 1.22 1.05 0.00 0.00 0.00 173.10 176.99 1do9 h GLU 43 N 5.53 0.20 -0.32 2.90 9.09 -1.83 -3.37 114.58 126.79 1do9 h GLU 43 Ca -0.29 -0.32 -0.14 0.00 0.05 0.00 0.00 59.36 58.66 1do9 h GLU 43 Cb 1.18 0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 28.38 1do9 h GLU 43 CO 0.13 1.12 -0.37 1.49 0.05 0.00 0.00 179.01 181.44 1do9 h GLU 44 N 0.07 0.74 -0.79 1.06 4.22 -1.96 -0.45 114.58 117.46 1do9 h GLU 44 Ca -0.09 -0.37 0.08 0.00 0.08 0.00 0.00 59.36 59.07 1do9 h GLU 44 Cb 1.84 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.04 1do9 h GLU 44 CO 0.17 0.98 0.52 -0.39 -2.18 0.00 0.00 179.01 178.11 1do9 h VAL 45 N 0.61 0.99 0.00 0.32 -1.51 -2.00 0.23 116.25 114.89 1do9 h VAL 45 Ca 0.06 -0.27 -0.04 0.00 -1.23 0.00 0.00 66.70 65.21 1do9 h VAL 45 Cb 0.91 0.14 -0.01 0.00 -2.13 0.00 0.00 31.29 30.19 1do9 h VAL 45 CO 0.08 0.14 -0.21 -0.07 -1.23 0.00 0.00 177.57 176.28 1do9 h LEU 46 N 0.78 0.00 0.00 4.19 3.38 -1.23 -2.43 115.31 120.00 1do9 h LEU 46 Ca 0.35 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.18 1do9 h LEU 46 Cb 0.36 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1do9 h LEU 46 CO -0.13 0.21 -0.90 -0.09 0.09 0.00 0.00 178.44 177.62 1do9 h ARG 47 N 0.00 0.00 0.00 1.13 2.43 -0.44 -3.06 114.38 114.44 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 0.60 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1do9 h ARG 47 CO 0.03 0.51 0.00 0.93 -1.51 0.00 0.00 179.97 179.93 1do9 h GLU 48 N 0.00 0.00 0.00 0.20 5.08 -0.19 -1.91 114.58 117.76 1do9 h GLU 48 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1do9 h GLU 48 Cb 1.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.78 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 -2.49 2.44 -1.59 2.33 1.13 -1.20 -5.03 117.38 112.97 1do9 n GLN 49 Ca 0.02 -1.80 -0.40 0.00 -1.94 0.00 0.00 57.00 52.88 1do9 n GLN 49 Cb 0.24 -1.13 0.02 0.00 0.11 0.00 0.00 30.24 29.48 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 -0.76 -0.07 -1.77 -1.58 0.00 -0.72 -1.34 120.51 114.27 1do9 n ALA 50 Ca 0.05 0.16 -0.05 0.00 0.00 0.00 0.00 53.44 53.59 1do9 n ALA 50 Cb 0.37 -2.04 -0.01 0.00 0.00 0.00 0.00 19.45 17.77 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 1.31 0.01 3.24 0.00 0.00 -0.08 -4.86 105.19 104.82 1do9 n GLY 51 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.70 1.15 -0.76 -0.02 0.00 -0.45 -4.62 107.32 100.92 1do9 s GLY 52 Ca 0.00 -1.49 -0.26 0.00 0.00 0.00 0.00 44.72 42.97 1do9 s GLY 52 CO 0.00 -1.27 1.39 0.51 0.00 0.00 0.00 173.10 173.74 1do9 s ASP 53 N -3.10 6.05 0.00 1.64 -4.77 -1.26 -1.17 116.67 114.07 1do9 s ASP 53 Ca 0.31 -0.46 0.25 0.00 -3.30 0.00 0.00 52.55 49.36 1do9 s ASP 53 Cb 0.06 -2.56 0.39 0.00 -1.09 0.00 0.00 42.92 39.72 1do9 s ASP 53 CO 0.08 -1.90 1.34 0.00 0.70 0.00 0.00 175.17 175.40 1do9 n ALA 54 N 9.88 3.11 0.17 2.11 0.00 -1.00 -4.25 120.51 130.54 1do9 n ALA 54 Ca 0.09 -0.56 0.10 0.00 0.00 0.00 0.00 53.44 53.08 1do9 n ALA 54 Cb 0.50 -0.94 0.62 0.00 0.00 0.00 0.00 19.45 19.62 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 2.43 0.96 -0.72 0.00 2.02 -1.88 0.06 112.91 115.78 1do9 h THR 55 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1do9 h THR 55 Cb 0.69 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 1do9 h THR 55 CO 0.00 0.01 0.46 -0.33 0.37 0.00 0.00 175.52 176.03 1do9 h GLU 56 N 0.07 0.95 0.20 6.66 4.39 -1.94 -0.71 114.58 124.20 1do9 h GLU 56 Ca 0.07 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1do9 h GLU 56 Cb 0.20 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1do9 h GLU 56 CO -0.01 0.64 -0.09 -0.91 -1.16 0.00 0.00 179.01 177.48 1do9 h ASN 57 N 0.97 -0.22 -0.64 1.42 -0.26 -1.36 -0.89 115.58 114.59 1do9 h ASN 57 Ca 0.26 0.01 0.17 0.00 -0.56 0.00 0.00 56.30 56.18 1do9 h ASN 57 Cb -0.09 0.06 -0.12 0.00 -1.06 0.00 0.00 38.32 37.11 1do9 h ASN 57 CO -0.05 0.18 -0.00 0.33 -1.06 0.00 0.00 177.43 176.82 1do9 n PHE 58 N -4.61 0.39 0.09 1.19 -0.00 -0.17 -1.29 117.46 113.06 1do9 n PHE 58 Ca -0.03 0.78 -0.22 0.00 -0.00 0.00 0.00 57.45 57.97 1do9 n PHE 58 Cb 0.10 -0.97 -0.15 0.00 -0.00 0.00 0.00 39.48 38.46 1do9 n PHE 58 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 1do9 h GLU 59 N 0.00 0.40 -0.79 -4.13 4.39 -1.17 -1.68 114.58 111.60 1do9 h GLU 59 Ca 0.38 -0.68 0.13 0.00 0.34 0.00 0.00 59.36 59.53 1do9 h GLU 59 Cb 0.77 0.25 -0.09 0.00 -0.10 0.00 0.00 28.75 29.59 1do9 h GLU 59 CO -0.61 1.33 0.37 -0.44 -1.16 0.00 0.00 179.01 178.50 1do9 h ASP 60 N -0.15 0.44 0.62 1.42 3.32 0.21 -0.71 116.42 121.57 1do9 h ASP 60 Ca -0.20 0.09 -0.28 0.00 0.02 0.00 0.00 57.03 56.66 1do9 h ASP 60 Cb 1.87 0.03 0.00 0.00 0.22 0.00 0.00 39.33 41.45 1do9 h ASP 60 CO 0.20 0.20 -1.25 -0.37 -1.72 0.00 0.00 179.24 176.29 1do9 h VAL 61 N 0.56 1.49 0.00 -1.35 -1.51 -1.35 -3.48 116.25 110.62 1do9 h VAL 61 Ca 0.42 -3.06 0.00 0.00 -1.23 0.00 0.00 66.70 62.83 1do9 h VAL 61 Cb 0.57 2.95 0.00 0.00 -2.13 0.00 0.00 31.29 32.68 1do9 h VAL 61 CO -0.35 0.89 0.00 0.61 -1.23 0.00 0.00 177.57 177.49 1do9 n GLY 62 N 1.54 3.11 1.22 5.19 0.00 -0.27 -4.98 105.19 110.99 1do9 n GLY 62 Ca -0.09 -0.93 0.14 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.84 -2.85 1.61 8.25 -1.24 -4.77 115.22 113.38 1do9 n HIS 63 Ca 0.00 1.51 -0.20 0.00 -0.26 0.00 0.00 57.72 58.77 1do9 n HIS 63 Cb 0.00 -2.58 0.06 0.00 1.12 0.00 0.00 29.99 28.59 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 -6.28 5.06 0.26 0.41 0.01 -1.26 -5.02 113.70 106.88 1do9 s SER 64 Ca 0.00 -0.49 0.02 0.00 1.31 0.00 0.00 55.95 56.79 1do9 s SER 64 Cb 0.00 -0.19 0.33 0.00 0.21 0.00 0.00 66.02 66.37 1do9 s SER 64 CO 0.00 -1.31 1.64 0.74 0.41 0.00 0.00 173.24 174.72 1do9 h THR 65 N 0.08 1.30 -0.46 1.44 2.02 -1.99 -2.53 112.91 112.77 1do9 h THR 65 Ca -0.36 -1.54 0.11 0.00 0.77 0.00 0.00 66.41 65.39 1do9 h THR 65 Cb 1.28 1.60 -0.02 0.00 -1.74 0.00 0.00 68.15 69.27 1do9 h THR 65 CO 0.43 0.47 0.32 0.44 0.37 0.00 0.00 175.52 177.56 1do9 h ASP 66 N 0.35 0.13 0.09 4.18 5.19 -2.00 0.97 116.42 125.33 1do9 h ASP 66 Ca 0.03 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.25 1do9 h ASP 66 Cb 0.86 -0.02 0.02 0.00 0.18 0.00 0.00 39.33 40.36 1do9 h ASP 66 CO 0.07 0.08 -0.83 0.00 -3.12 0.00 0.00 179.24 175.44 1do9 h ALA 67 N 1.77 -0.02 -0.69 3.45 0.00 -1.87 -3.07 119.26 118.82 1do9 h ALA 67 Ca 0.22 -0.67 0.20 0.00 0.00 0.00 0.00 54.91 54.66 1do9 h ALA 67 Cb 0.67 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1do9 h ALA 67 CO -0.03 0.43 0.55 0.00 0.00 0.00 0.00 179.25 180.19 1do9 h ARG 68 N -0.16 0.00 -0.01 0.00 3.08 -0.47 -1.97 114.38 114.85 1do9 h ARG 68 Ca -0.13 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 1do9 h ARG 68 Cb 1.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.64 1do9 h ARG 68 CO 0.16 0.00 -0.08 0.93 -1.07 0.00 0.00 179.97 179.91 1do9 h GLU 69 N 0.00 0.07 0.00 0.04 5.08 -1.13 -3.27 114.58 115.37 1do9 h GLU 69 Ca 0.33 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1do9 h GLU 69 Cb 1.42 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.68 1do9 h GLU 69 CO -0.00 0.76 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.66 1do9 h LEU 70 N -0.58 0.00 -1.76 1.33 -0.00 -1.28 0.27 115.31 113.29 1do9 h LEU 70 Ca -0.01 0.00 0.41 0.00 -0.00 0.00 0.00 57.88 58.29 1do9 h LEU 70 Cb 0.77 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 41.35 1do9 h LEU 70 CO 0.02 0.03 0.97 0.28 -0.00 0.00 0.00 178.44 179.74 1do9 h SER 71 N 0.00 0.12 -0.20 -0.43 0.02 -1.51 0.11 113.55 111.67 1do9 h SER 71 Ca -0.00 0.05 -0.17 0.00 -0.84 0.00 0.00 61.79 60.82 1do9 h SER 71 Cb 0.07 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1do9 h SER 71 CO 0.00 -0.03 -0.56 0.50 -1.14 0.00 0.00 176.83 175.60 1do9 h LYS 72 N 0.08 0.72 0.00 3.45 1.63 -1.06 -2.33 116.57 119.06 1do9 h LYS 72 Ca 0.73 -0.52 0.00 0.00 -0.85 0.00 0.00 60.65 60.01 1do9 h LYS 72 Cb 2.62 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 34.34 1do9 h LYS 72 CO -0.15 1.14 0.00 -2.37 -3.45 0.00 0.00 179.45 174.61 1do9 n THR 73 N -4.10 0.17 0.03 1.00 5.66 0.27 -3.23 114.28 114.08 1do9 n THR 73 Ca -0.06 0.04 0.10 0.00 -3.05 0.00 0.00 64.05 61.08 1do9 n THR 73 Cb 0.63 -0.60 -0.10 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 -1.34 0.41 -1.75 1.09 3.72 -0.50 -4.90 117.46 114.19 1do9 n PHE 74 Ca 0.11 0.12 -0.42 0.00 -0.05 0.00 0.00 57.45 57.21 1do9 n PHE 74 Cb 0.24 -0.71 -0.01 0.00 -0.94 0.00 0.00 39.48 38.05 1do9 n PHE 74 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1do9 n ILE 75 N -2.45 1.12 -0.58 4.37 5.41 -0.90 -0.23 119.36 126.09 1do9 n ILE 75 Ca -0.03 -0.28 0.00 0.00 1.00 0.00 0.00 62.75 63.44 1do9 n ILE 75 Cb 0.58 -1.96 0.00 0.00 -0.71 0.00 0.00 39.64 37.55 1do9 n ILE 75 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1do9 n ILE 76 N 1.96 0.21 -2.76 1.39 -6.64 -0.79 -4.88 119.36 107.85 1do9 n ILE 76 Ca 0.08 -0.31 0.00 0.00 -1.77 0.00 0.00 62.75 60.74 1do9 n ILE 76 Cb 0.37 1.18 0.00 0.00 -1.44 0.00 0.00 39.64 39.75 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 -0.11 -1.56 3.42 3.28 0.00 -1.24 -3.65 105.19 105.34 1do9 n GLY 77 Ca 0.00 -1.11 -0.26 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.44 1.51 0.60 1.61 -1.05 -1.26 -1.65 118.70 117.02 1do9 s GLU 78 Ca 0.00 -1.55 -0.20 0.00 -0.15 0.00 0.00 54.97 53.07 1do9 s GLU 78 Cb 0.00 -1.77 -0.03 0.00 -0.44 0.00 0.00 34.13 31.89 1do9 s GLU 78 CO 0.00 0.37 1.32 -0.51 0.95 0.00 0.00 175.26 177.39 1do9 s LEU 79 N -2.80 3.70 0.81 1.83 2.01 -1.26 -2.09 118.68 120.88 1do9 s LEU 79 Ca 0.22 2.67 -0.14 0.00 0.01 0.00 0.00 54.13 56.88 1do9 s LEU 79 Cb -0.07 -4.47 0.02 0.00 0.01 0.00 0.00 46.19 41.68 1do9 s LEU 79 CO 0.10 -1.80 0.74 1.57 1.01 0.00 0.00 176.35 177.98 1do9 n HIS 80 N -1.51 -0.20 0.28 0.29 -0.00 0.13 -4.77 115.22 109.43 1do9 n HIS 80 Ca 0.13 0.34 0.16 0.00 0.46 0.00 0.00 57.72 58.82 1do9 n HIS 80 Cb 0.47 -1.95 0.76 0.00 -0.12 0.00 0.00 29.99 29.15 1do9 n HIS 80 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1do9 h PRO 81 N -0.86 0.00 0.00 1.57 0.13 -1.92 -1.70 132.00 129.22 1do9 h PRO 81 Ca -0.45 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.63 1do9 h PRO 81 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 1do9 h PRO 81 CO 0.42 0.05 -0.22 -0.44 -0.23 0.00 0.00 178.00 177.58 1do9 h ASP 82 N 0.00 0.00 0.25 1.44 3.32 -1.98 -2.28 116.42 117.17 1do9 h ASP 82 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1do9 h ASP 82 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1do9 h ASP 82 CO 0.01 0.22 0.00 -0.67 -1.72 0.00 0.00 179.24 177.07 1do9 n ASP 83 N -3.43 0.00 -1.88 6.45 2.03 -0.64 -1.14 116.55 117.94 1do9 n ASP 83 Ca -0.00 0.11 -0.13 0.00 0.52 0.00 0.00 54.79 55.28 1do9 n ASP 83 Cb 0.41 -0.29 0.18 0.00 -0.72 0.00 0.00 41.12 40.70 1do9 n ASP 83 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1do9 n ARG 84 N -1.29 2.47 0.00 -0.67 0.63 -0.86 -4.78 116.66 112.17 1do9 n ARG 84 Ca 0.06 -2.40 0.00 0.00 -0.92 0.00 0.00 57.85 54.59 1do9 n ARG 84 Cb 0.11 -1.97 0.00 0.00 0.45 0.00 0.00 32.46 31.04 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 -0.50 0.00 0.02 6.15 2.88 -1.18 -5.05 113.62 115.94 1do9 n SER 85 Ca 0.41 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 1do9 n SER 85 Cb 1.33 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.79 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 0.00 0.00 -3.73 -1.46 3.00 -0.47 -5.09 118.16 110.41 1do9 n LYS 86 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.02 1do9 n LYS 86 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.04 1do9 n LYS 86 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1do9 n LEU 87 N -2.63 -2.00 -3.54 3.14 4.77 -0.29 -5.01 117.00 111.44 1do9 n LEU 87 Ca 0.00 -0.77 -0.01 0.00 -0.03 0.00 0.00 56.01 55.20 1do9 n LEU 87 Cb 0.00 -1.60 -0.04 0.00 -2.33 0.00 0.00 43.42 39.45 1do9 n LEU 87 CO 0.00 0.30 0.22 -0.55 -1.33 0.00 0.00 177.39 176.03 1do9 s SER 88 N -2.60 -1.12 -0.12 -1.43 0.15 -1.26 -5.11 113.70 102.21 1do9 s SER 88 Ca 0.10 1.38 -0.04 0.00 0.70 0.00 0.00 55.95 58.08 1do9 s SER 88 Cb -0.01 2.20 0.06 0.00 -1.71 0.00 0.00 66.02 66.56 1do9 s SER 88 CO 0.89 -0.23 0.23 -0.75 1.20 0.00 0.00 173.24 174.59 1do9 s LYS 89 N 2.87 0.12 0.98 5.44 2.20 -1.26 -5.10 119.74 124.98 1do9 s LYS 89 Ca 0.00 0.68 -0.16 0.00 -0.36 0.00 0.00 55.97 56.13 1do9 s LYS 89 Cb -0.13 -0.10 0.23 0.00 -1.51 0.00 0.00 37.83 36.33 1do9 s LYS 89 CO -0.19 -0.28 1.09 -0.35 -0.36 0.00 0.00 175.35 175.26 1do9 n PRO 90 N 5.26 -1.97 -4.18 4.03 -0.04 -1.26 -5.10 135.00 131.74 1do9 n PRO 90 Ca -0.07 -1.71 -0.17 0.00 -0.04 0.00 0.00 63.50 61.51 1do9 n PRO 90 Cb 0.50 -1.33 -0.12 0.00 -0.04 0.00 0.00 33.50 32.51 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 -5.42 0.73 -0.12 0.54 1.75 -1.26 -5.14 119.30 110.38 1do9 s MET 91 Ca 0.65 -0.80 -0.05 0.00 -1.25 0.00 0.00 55.69 54.24 1do9 s MET 91 Cb -0.04 -0.66 0.06 0.00 2.84 0.00 0.00 34.83 37.02 1do9 s MET 91 CO 0.48 0.15 0.27 -2.00 -0.65 0.00 0.00 175.02 173.27 1do9 s GLU 92 N -1.44 0.20 0.30 4.11 -6.30 -1.26 -5.17 118.70 109.14 1do9 s GLU 92 Ca -0.03 0.65 0.09 0.00 -2.50 0.00 0.00 54.97 53.18 1do9 s GLU 92 Cb -0.09 -0.07 -0.05 0.00 0.00 0.00 0.00 34.13 33.93 1do9 s GLU 92 CO 0.01 -0.21 0.04 -0.08 0.02 0.00 0.00 175.26 175.04 1do9 s THR 93 N 1.77 3.13 -1.85 -1.70 -1.32 -1.26 -5.36 115.64 109.06 1do9 s THR 93 Ca -0.05 -1.87 0.00 0.00 -1.21 0.00 0.00 61.69 58.56 1do9 s THR 93 Cb -0.11 -2.87 0.00 0.00 -1.51 0.00 0.00 72.50 68.01 1do9 s THR 93 CO -0.09 -0.28 0.46 -0.11 -2.21 0.00 0.00 174.62 172.39