#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1do9 n LYS 2 N 0.00 0.00 -4.08 -1.24 0.00 -1.26 -5.17 118.16 106.41 1do9 n LYS 2 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 58.31 58.19 1do9 n LYS 2 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 1do9 n LYS 2 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1do9 s ASP 3 N -1.72 0.35 0.00 3.14 -4.77 -1.26 -5.17 116.67 107.24 1do9 s ASP 3 Ca 0.00 -1.24 0.00 0.00 -3.30 0.00 0.00 52.55 48.01 1do9 s ASP 3 Cb 0.00 0.57 0.00 0.00 -1.09 0.00 0.00 42.92 42.40 1do9 s ASP 3 CO 0.00 -1.13 0.00 0.52 0.70 0.00 0.00 175.17 175.26 1do9 n VAL 4 N -0.42 0.00 -0.01 2.11 0.31 -1.26 -5.10 118.33 113.95 1do9 n VAL 4 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 1do9 n VAL 4 Cb 0.63 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.54 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 1.34 -2.77 5.55 3.00 -1.26 -5.07 118.16 118.94 1do9 n LYS 5 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 1do9 n LYS 5 Cb 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 35.03 33.98 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 -2.40 0.00 -4.13 5.64 4.01 -1.26 -4.91 117.16 114.12 1do9 n TYR 6 Ca -0.04 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.41 1do9 n TYR 6 Cb 0.55 -0.86 -0.08 0.00 -0.31 0.00 0.00 39.34 38.65 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 -0.66 3.00 0.68 -0.72 2.02 -0.97 -4.82 117.35 115.88 1do9 s TYR 7 Ca 0.00 -0.03 -0.05 0.00 -0.37 0.00 0.00 57.07 56.62 1do9 s TYR 7 Cb 0.00 -1.52 0.06 0.00 -0.40 0.00 0.00 41.96 40.10 1do9 s TYR 7 CO 0.00 0.49 0.97 0.95 -1.57 0.00 0.00 175.55 176.39 1do9 s THR 8 N -1.42 2.36 0.25 -0.71 -4.23 -1.26 -1.79 115.64 108.84 1do9 s THR 8 Ca 0.27 -0.33 -0.04 0.00 -1.18 0.00 0.00 61.69 60.40 1do9 s THR 8 Cb -0.11 -3.01 0.16 0.00 1.34 0.00 0.00 72.50 70.88 1do9 s THR 8 CO 0.19 -0.01 1.81 -0.07 -0.54 0.00 0.00 174.62 176.01 1do9 h LEU 9 N -0.48 0.95 -1.16 4.79 -0.00 -1.98 -2.23 115.31 115.19 1do9 h LEU 9 Ca -0.44 -0.15 -0.00 0.00 -0.00 0.00 0.00 57.88 57.29 1do9 h LEU 9 Cb 1.31 -0.25 -0.04 0.00 -0.00 0.00 0.00 40.66 41.69 1do9 h LEU 9 CO 0.59 0.86 0.48 -0.33 -0.00 0.00 0.00 178.44 180.04 1do9 h GLU 10 N 1.00 1.05 -0.48 1.13 5.08 -1.98 -0.21 114.58 120.17 1do9 h GLU 10 Ca 0.23 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1do9 h GLU 10 Cb 0.23 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1do9 h GLU 10 CO -0.02 0.73 0.18 0.93 -1.00 0.00 0.00 179.01 179.84 1do9 h GLU 11 N 1.07 0.72 -0.53 2.33 4.39 -1.79 0.34 114.58 121.11 1do9 h GLU 11 Ca 0.28 -0.14 -0.08 0.00 0.34 0.00 0.00 59.36 59.76 1do9 h GLU 11 Cb -0.06 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.45 1do9 h GLU 11 CO -0.06 0.66 -0.01 0.82 -1.16 0.00 0.00 179.01 179.26 1do9 h ILE 12 N 0.64 1.25 0.00 3.13 2.04 -0.88 -0.66 117.51 123.03 1do9 h ILE 12 Ca 0.16 -1.08 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 1do9 h ILE 12 Cb 0.21 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1do9 h ILE 12 CO -0.01 0.38 -0.03 0.11 0.00 0.00 0.00 178.15 178.60 1do9 h LYS 13 N 0.83 0.00 0.00 2.37 1.57 -0.86 -1.31 116.57 119.17 1do9 h LYS 13 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1do9 h LYS 13 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1do9 h LYS 13 CO 0.02 0.03 0.00 1.63 -0.57 0.00 0.00 179.45 180.56 1do9 n LYS 14 N -3.13 0.05 -3.52 3.15 5.02 0.09 -4.44 118.16 115.39 1do9 n LYS 14 Ca 0.01 0.18 -0.29 0.00 -2.02 0.00 0.00 58.31 56.19 1do9 n LYS 14 Cb 0.35 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.73 1do9 n LYS 14 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1do9 s HIS 15 N -2.91 0.58 0.00 2.13 3.76 -0.49 -4.92 115.29 113.43 1do9 s HIS 15 Ca 0.10 -1.26 0.00 0.00 -0.15 0.00 0.00 55.06 53.75 1do9 s HIS 15 Cb 0.11 -0.96 0.00 0.00 1.11 0.00 0.00 32.58 32.84 1do9 s HIS 15 CO 0.31 -0.83 0.64 0.27 -0.85 0.00 0.00 174.74 174.27 1do9 n ASN 16 N 4.70 0.00 -4.73 1.40 0.23 -1.20 -2.60 115.26 113.06 1do9 n ASN 16 Ca 0.02 -1.35 -0.30 0.00 -0.53 0.00 0.00 54.58 52.41 1do9 n ASN 16 Cb 0.40 -0.07 -0.08 0.00 -2.08 0.00 0.00 39.78 37.95 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 0.00 2.10 -1.02 -2.53 -3.43 -1.26 -4.76 115.29 104.39 1do9 s HIS 17 Ca 0.00 -0.83 -0.22 0.00 -0.80 0.00 0.00 55.06 53.21 1do9 s HIS 17 Cb 0.00 -1.71 -0.11 0.00 -1.43 0.00 0.00 32.58 29.32 1do9 s HIS 17 CO 0.00 0.24 1.92 0.45 -2.00 0.00 0.00 174.74 175.35 1do9 n SER 18 N -1.21 2.92 0.00 7.38 2.88 -1.26 -1.97 113.62 122.35 1do9 n SER 18 Ca -0.12 -2.70 0.00 0.00 -1.33 0.00 0.00 58.87 54.72 1do9 n SER 18 Cb 0.67 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 1do9 n SER 18 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1do9 n LYS 19 N 7.77 0.00 -2.76 -1.46 4.81 -1.26 -4.98 118.16 120.28 1do9 n LYS 19 Ca 0.47 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.82 1do9 n LYS 19 Cb 0.44 0.00 0.08 0.00 0.02 0.00 0.00 35.03 35.57 1do9 n LYS 19 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1do9 n SER 20 N -0.28 -1.37 -4.48 3.14 7.64 -1.00 -4.94 113.62 112.33 1do9 n SER 20 Ca 0.00 -3.00 -0.12 0.00 1.01 0.00 0.00 58.87 56.76 1do9 n SER 20 Cb 0.00 0.99 -0.10 0.00 -1.01 0.00 0.00 64.21 64.09 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 -0.10 0.00 -2.38 0.44 -1.04 -0.83 -3.24 114.28 107.13 1do9 n THR 21 Ca 0.05 -0.19 -0.25 0.00 -2.04 0.00 0.00 64.05 61.62 1do9 n THR 21 Cb 0.77 -1.60 0.11 0.00 -1.82 0.00 0.00 70.33 67.78 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 13.63 2.02 0.12 -1.42 0.52 -1.07 -1.44 118.94 131.30 1do9 s TRP 22 Ca 0.73 0.03 -0.25 0.00 0.02 0.00 0.00 56.10 56.63 1do9 s TRP 22 Cb -0.09 -3.23 0.08 0.00 -1.15 0.00 0.00 33.47 29.08 1do9 s TRP 22 CO 0.16 -1.73 1.11 -0.48 0.02 0.00 0.00 176.95 176.03 1do9 s LEU 23 N -5.27 -0.01 -0.27 2.99 0.05 -0.51 -0.94 118.68 114.71 1do9 s LEU 23 Ca 0.65 -0.50 0.02 0.00 0.05 0.00 0.00 54.13 54.36 1do9 s LEU 23 Cb -0.07 1.85 0.07 0.00 -2.05 0.00 0.00 46.19 45.99 1do9 s LEU 23 CO 0.45 -0.76 -0.04 -0.63 -0.55 0.00 0.00 176.35 174.82 1do9 s ILE 24 N -2.24 1.95 -0.34 1.48 1.01 0.02 -1.76 121.20 121.32 1do9 s ILE 24 Ca 0.22 -1.68 -0.03 0.00 0.00 0.00 0.00 60.65 59.16 1do9 s ILE 24 Cb -0.01 -2.21 0.07 0.00 0.01 0.00 0.00 42.46 40.31 1do9 s ILE 24 CO 0.03 -0.22 0.09 -0.76 0.00 0.00 0.00 174.94 174.07 1do9 s LEU 25 N 1.16 4.40 -0.60 2.97 1.43 -0.71 -2.10 118.68 125.24 1do9 s LEU 25 Ca -0.02 -1.46 -0.08 0.00 -1.03 0.00 0.00 54.13 51.54 1do9 s LEU 25 Cb -0.19 -1.79 0.01 0.00 0.03 0.00 0.00 46.19 44.25 1do9 s LEU 25 CO -0.07 -0.36 0.65 1.41 0.23 0.00 0.00 176.35 178.21 1do9 n HIS 26 N 4.66 -3.20 -3.07 0.29 8.25 -1.26 -3.21 115.22 117.69 1do9 n HIS 26 Ca -0.10 1.26 -0.20 0.00 -0.26 0.00 0.00 57.72 58.42 1do9 n HIS 26 Cb 0.43 -4.07 -0.04 0.00 1.12 0.00 0.00 29.99 27.44 1do9 n HIS 26 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1do9 n HIS 27 N -1.10 -1.01 -3.95 4.41 8.25 -1.26 -4.90 115.22 115.66 1do9 n HIS 27 Ca 0.05 0.32 -0.09 0.00 -0.26 0.00 0.00 57.72 57.74 1do9 n HIS 27 Cb 0.49 -1.11 -0.10 0.00 1.12 0.00 0.00 29.99 30.40 1do9 n HIS 27 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1do9 s LYS 28 N -4.76 0.57 -0.18 -0.41 1.02 -1.20 -2.81 119.74 111.97 1do9 s LYS 28 Ca 0.39 -0.81 -0.06 0.00 0.02 0.00 0.00 55.97 55.52 1do9 s LYS 28 Cb -0.23 0.22 -0.04 0.00 -0.52 0.00 0.00 37.83 37.26 1do9 s LYS 28 CO 0.48 -0.13 0.03 0.08 -0.92 0.00 0.00 175.35 174.89 1do9 s VAL 29 N -2.70 4.48 0.06 3.17 1.01 -1.18 -1.73 120.40 123.51 1do9 s VAL 29 Ca -0.04 -0.14 0.06 0.00 0.00 0.00 0.00 61.98 61.85 1do9 s VAL 29 Cb -0.01 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 1do9 s VAL 29 CO -0.05 0.47 -0.16 -0.31 0.00 0.00 0.00 175.10 175.04 1do9 s TYR 30 N 0.43 1.39 -0.22 5.22 1.51 -0.72 -1.85 117.35 123.10 1do9 s TYR 30 Ca 0.01 -0.39 0.02 0.00 -1.01 0.00 0.00 57.07 55.70 1do9 s TYR 30 Cb -0.13 -0.80 0.05 0.00 -0.11 0.00 0.00 41.96 40.96 1do9 s TYR 30 CO 0.01 0.07 -0.13 0.34 -1.11 0.00 0.00 175.55 174.74 1do9 s ASP 31 N -1.38 3.78 -0.04 2.29 -1.08 -0.25 -1.42 116.67 118.56 1do9 s ASP 31 Ca 0.02 -1.05 0.13 0.00 -0.52 0.00 0.00 52.55 51.13 1do9 s ASP 31 Cb -0.09 -1.42 0.41 0.00 -1.46 0.00 0.00 42.92 40.36 1do9 s ASP 31 CO 0.02 -0.13 1.34 0.18 0.52 0.00 0.00 175.17 177.10 1do9 n LEU 32 N 4.56 3.34 0.04 -1.34 4.77 -0.52 -4.69 117.00 123.16 1do9 n LEU 32 Ca -0.16 -2.22 -0.12 0.00 -0.03 0.00 0.00 56.01 53.48 1do9 n LEU 32 Cb 0.45 -0.34 -0.05 0.00 -2.33 0.00 0.00 43.42 41.15 1do9 n LEU 32 CO 0.22 0.75 0.63 0.74 -1.33 0.00 0.00 177.39 178.39 1do9 h THR 33 N 2.34 0.24 0.00 -5.08 2.02 -1.92 0.35 112.91 110.86 1do9 h THR 33 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1do9 h THR 33 Cb 0.94 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1do9 h THR 33 CO 0.06 0.00 0.00 1.17 0.37 0.00 0.00 175.52 177.12 1do9 n LYS 34 N -5.43 0.45 0.00 6.66 0.00 -1.26 -2.28 118.16 116.30 1do9 n LYS 34 Ca -0.04 0.05 0.07 0.00 0.00 0.00 0.00 58.31 58.39 1do9 n LYS 34 Cb 0.34 -1.50 -0.04 0.00 0.00 0.00 0.00 35.03 33.83 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 -1.19 0.00 0.04 5.64 7.35 -0.04 -4.51 117.46 124.74 1do9 n PHE 35 Ca 0.13 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.74 1do9 n PHE 35 Cb 0.15 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 39.93 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 0.81 -0.75 -1.77 -2.13 3.38 0.03 0.41 115.31 115.28 1do9 h LEU 36 Ca 0.00 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1do9 h LEU 36 Cb 0.41 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1do9 h LEU 36 CO 0.00 -0.25 0.03 -0.62 0.09 0.00 0.00 178.44 177.69 1do9 n GLU 37 N -3.86 1.77 0.00 1.13 1.02 -1.26 -3.27 120.64 116.17 1do9 n GLU 37 Ca -0.04 -0.72 0.00 0.00 -0.02 0.00 0.00 57.16 56.39 1do9 n GLU 37 Cb 0.19 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 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 0.14 -0.37 -3.05 3.49 1.02 -0.39 -5.06 120.64 116.41 1do9 n GLU 38 Ca 0.08 -0.26 -0.40 0.00 -0.02 0.00 0.00 57.16 56.56 1do9 n GLU 38 Cb 0.53 -0.72 -0.05 0.00 -0.02 0.00 0.00 31.44 31.18 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 -0.02 3.48 -0.70 -0.32 2.46 0.13 -4.98 115.29 115.34 1do9 s HIS 39 Ca 0.00 1.13 -0.26 0.00 0.47 0.00 0.00 55.06 56.40 1do9 s HIS 39 Cb 0.00 -2.83 -0.02 0.00 -0.13 0.00 0.00 32.58 29.60 1do9 s HIS 39 CO 0.00 -0.05 1.80 -1.25 -2.47 0.00 0.00 174.74 172.76 1do9 s PRO 40 N 1.40 2.71 0.00 2.88 0.04 -1.26 -3.89 135.00 136.88 1do9 s PRO 40 Ca 0.34 0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.66 1do9 s PRO 40 Cb -0.17 -4.53 0.00 0.00 0.04 0.00 0.00 34.50 29.85 1do9 s PRO 40 CO 0.14 -2.77 0.00 0.41 0.04 0.00 0.00 177.00 174.82 1do9 n GLY 41 N 5.93 0.17 3.67 0.56 0.00 -1.26 -5.12 105.19 109.14 1do9 n GLY 41 Ca 0.23 0.05 -0.09 0.00 0.00 0.00 0.00 46.02 46.20 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 0.42 -0.06 -0.02 0.00 -1.25 -5.05 107.32 101.36 1do9 s GLY 42 Ca 0.00 -0.76 0.07 0.00 0.00 0.00 0.00 44.72 44.03 1do9 s GLY 42 CO 0.00 -0.49 0.06 -1.84 0.00 0.00 0.00 173.10 170.83 1do9 n GLU 43 N -0.43 2.27 0.04 2.90 0.28 -1.26 -4.67 120.64 119.77 1do9 n GLU 43 Ca -0.03 -0.02 -0.08 0.00 -0.16 0.00 0.00 57.16 56.88 1do9 n GLU 43 Cb 0.61 -1.19 0.08 0.00 1.43 0.00 0.00 31.44 32.37 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 0.44 -0.52 3.44 -0.00 -1.97 -0.70 114.58 115.27 1do9 h GLU 44 Ca -0.16 -0.28 0.15 0.00 -0.00 0.00 0.00 59.36 59.07 1do9 h GLU 44 Cb 1.22 0.04 -0.02 0.00 -0.00 0.00 0.00 28.75 29.99 1do9 h GLU 44 CO 0.01 0.89 0.38 -0.39 -0.00 0.00 0.00 179.01 179.89 1do9 h VAL 45 N 0.33 0.73 0.00 -1.06 -1.51 -1.99 0.50 116.25 113.25 1do9 h VAL 45 Ca 0.00 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 65.40 1do9 h VAL 45 Cb 1.09 0.74 -0.01 0.00 -2.13 0.00 0.00 31.29 30.98 1do9 h VAL 45 CO 0.10 0.00 -0.33 -0.07 -1.23 0.00 0.00 177.57 176.04 1do9 h LEU 46 N 0.00 0.00 0.00 4.19 3.38 -1.40 -2.75 115.31 118.72 1do9 h LEU 46 Ca 0.25 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.01 1do9 h LEU 46 Cb 1.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 1do9 h LEU 46 CO -0.00 0.33 -1.21 0.03 0.09 0.00 0.00 178.44 177.68 1do9 h ARG 47 N 0.00 0.00 0.00 1.13 3.08 -0.95 -2.91 114.38 114.73 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 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 1do9 h ARG 47 CO 0.04 0.59 0.00 0.93 -1.07 0.00 0.00 179.97 180.46 1do9 h GLU 48 N 0.00 0.00 -0.00 0.04 4.39 -0.82 -2.05 114.58 116.14 1do9 h GLU 48 Ca -0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1do9 h GLU 48 Cb 1.72 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.37 1do9 h GLU 48 CO 0.08 0.00 0.00 1.04 -1.16 0.00 0.00 179.01 178.97 1do9 n GLN 49 N -2.97 1.28 -1.91 2.33 1.13 -1.20 -5.02 117.38 111.03 1do9 n GLN 49 Ca -0.01 -1.08 -0.39 0.00 -1.94 0.00 0.00 57.00 53.58 1do9 n GLN 49 Cb 0.19 -1.00 0.01 0.00 0.11 0.00 0.00 30.24 29.56 1do9 n GLN 49 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1do9 s ALA 50 N -0.57 3.11 -1.50 -1.58 0.00 -0.77 -1.28 121.76 119.16 1do9 s ALA 50 Ca 0.00 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.28 1do9 s ALA 50 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1do9 s ALA 50 CO 0.00 -1.09 0.00 0.41 0.00 0.00 0.00 175.76 175.08 1do9 n GLY 51 N 0.63 1.35 2.42 0.00 0.00 -0.12 -4.83 105.19 104.65 1do9 n GLY 51 Ca 0.06 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.03 2.86 3.49 -0.02 0.00 -0.41 -4.33 105.19 106.75 1do9 n GLY 52 Ca -0.14 -1.72 -0.43 0.00 0.00 0.00 0.00 46.02 43.73 1do9 n GLY 52 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1do9 s ASP 53 N -2.67 6.72 0.00 1.61 1.47 -1.26 -0.80 116.67 121.74 1do9 s ASP 53 Ca 0.26 -2.17 0.17 0.00 1.18 0.00 0.00 52.55 52.00 1do9 s ASP 53 Cb 0.01 -2.45 0.85 0.00 -0.34 0.00 0.00 42.92 40.98 1do9 s ASP 53 CO 0.19 -1.10 1.53 0.00 0.68 0.00 0.00 175.17 176.46 1do9 n ALA 54 N 7.03 1.91 -0.23 2.11 0.00 -0.89 -3.67 120.51 126.76 1do9 n ALA 54 Ca 0.31 -0.08 0.02 0.00 0.00 0.00 0.00 53.44 53.70 1do9 n ALA 54 Cb 0.48 -1.28 0.14 0.00 0.00 0.00 0.00 19.45 18.79 1do9 n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1do9 h THR 55 N 0.00 0.73 0.00 0.00 2.02 -1.86 0.31 112.91 114.11 1do9 h THR 55 Ca 0.00 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 66.99 1do9 h THR 55 Cb 0.19 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 1do9 h THR 55 CO 0.00 0.08 -0.19 -0.33 0.37 0.00 0.00 175.52 175.45 1do9 h GLU 56 N 0.44 0.00 0.04 6.66 5.08 -1.92 -0.36 114.58 124.52 1do9 h GLU 56 Ca 0.36 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1do9 h GLU 56 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1do9 h GLU 56 CO -0.35 0.19 -0.02 -0.91 -1.00 0.00 0.00 179.01 176.92 1do9 h ASN 57 N 0.00 -0.04 -0.79 1.42 2.35 -1.25 -0.66 115.58 116.60 1do9 h ASN 57 Ca -0.00 -0.55 0.04 0.00 -0.55 0.00 0.00 56.30 55.23 1do9 h ASN 57 Cb 0.35 0.01 -0.05 0.00 0.05 0.00 0.00 38.32 38.68 1do9 h ASN 57 CO 0.02 0.55 0.50 0.15 -1.65 0.00 0.00 177.43 177.01 1do9 h PHE 58 N -0.67 0.93 0.10 1.19 3.04 -0.74 -2.71 116.94 118.09 1do9 h PHE 58 Ca -0.01 0.03 -0.27 0.00 3.98 0.00 0.00 57.97 61.70 1do9 h PHE 58 Cb 0.59 -0.31 0.01 0.00 2.56 0.00 0.00 35.95 38.81 1do9 h PHE 58 CO 0.13 0.52 -1.17 1.05 -2.02 0.00 0.00 178.31 176.82 1do9 h GLU 59 N 0.96 0.36 -0.19 1.11 -0.00 -1.16 -0.01 114.58 115.64 1do9 h GLU 59 Ca 0.33 -0.52 0.05 0.00 -0.00 0.00 0.00 59.36 59.22 1do9 h GLU 59 Cb 0.05 0.18 -0.07 0.00 -0.00 0.00 0.00 28.75 28.91 1do9 h GLU 59 CO -0.13 1.21 -0.33 -0.44 -0.00 0.00 0.00 179.01 179.32 1do9 h ASP 60 N 0.14 -1.06 0.52 3.06 3.32 -0.90 -0.43 116.42 121.09 1do9 h ASP 60 Ca -0.13 0.16 -0.22 0.00 0.02 0.00 0.00 57.03 56.86 1do9 h ASP 60 Cb 1.86 0.46 -0.00 0.00 0.22 0.00 0.00 39.33 41.86 1do9 h ASP 60 CO 0.20 -0.36 -0.96 0.58 -1.72 0.00 0.00 179.24 176.98 1do9 h VAL 61 N -0.37 1.47 0.00 -1.35 2.07 -1.57 -3.48 116.25 113.02 1do9 h VAL 61 Ca 0.11 -2.66 0.00 0.00 0.82 0.00 0.00 66.70 64.97 1do9 h VAL 61 Cb 0.55 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 1do9 h VAL 61 CO -0.40 0.78 0.00 0.61 0.02 0.00 0.00 177.57 178.58 1do9 n GLY 62 N 1.02 3.10 1.45 2.17 0.00 -0.02 -4.98 105.19 107.93 1do9 n GLY 62 Ca -0.05 -0.94 0.04 0.00 0.00 0.00 0.00 46.02 45.07 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 -3.51 -2.48 1.61 8.25 -1.21 -4.65 115.22 113.24 1do9 n HIS 63 Ca 0.00 1.91 -0.24 0.00 -0.26 0.00 0.00 57.72 59.14 1do9 n HIS 63 Cb 0.00 -3.01 0.05 0.00 1.12 0.00 0.00 29.99 28.15 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 -5.71 5.18 0.31 0.41 0.01 -1.26 -4.94 113.70 107.71 1do9 s SER 64 Ca 0.00 0.26 0.03 0.00 1.31 0.00 0.00 55.95 57.55 1do9 s SER 64 Cb 0.00 -1.10 0.53 0.00 0.21 0.00 0.00 66.02 65.66 1do9 s SER 64 CO 0.00 -1.27 1.82 0.74 0.41 0.00 0.00 173.24 174.94 1do9 h THR 65 N -0.18 1.22 -0.99 1.44 2.02 -1.98 -0.94 112.91 113.51 1do9 h THR 65 Ca -0.44 -0.94 0.11 0.00 0.77 0.00 0.00 66.41 65.92 1do9 h THR 65 Cb 1.30 1.05 -0.08 0.00 -1.74 0.00 0.00 68.15 68.68 1do9 h THR 65 CO 0.56 0.31 0.62 0.44 0.37 0.00 0.00 175.52 177.82 1do9 h ASP 66 N 0.50 0.91 -0.25 4.18 5.19 -2.00 0.50 116.42 125.46 1do9 h ASP 66 Ca 0.10 0.05 -0.19 0.00 -0.62 0.00 0.00 57.03 56.37 1do9 h ASP 66 Cb 0.43 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.81 1do9 h ASP 66 CO 0.02 0.49 -0.57 0.00 -3.12 0.00 0.00 179.24 176.06 1do9 h ALA 67 N 1.52 0.41 0.00 3.45 0.00 -1.70 -2.63 119.26 120.32 1do9 h ALA 67 Ca 0.48 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1do9 h ALA 67 Cb 0.45 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1do9 h ALA 67 CO -0.26 0.65 -0.06 0.00 0.00 0.00 0.00 179.25 179.58 1do9 h ARG 68 N 0.60 0.00 -0.09 0.00 3.08 0.21 -2.96 114.38 115.23 1do9 h ARG 68 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 1do9 h ARG 68 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1do9 h ARG 68 CO 0.13 0.06 -0.39 0.93 -1.07 0.00 0.00 179.97 179.62 1do9 h GLU 69 N 0.00 0.42 -0.40 0.04 5.08 -0.60 -2.49 114.58 116.64 1do9 h GLU 69 Ca -0.00 -0.34 0.09 0.00 -1.00 0.00 0.00 59.36 58.12 1do9 h GLU 69 Cb 0.15 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1do9 h GLU 69 CO 0.01 0.97 0.28 -0.07 -1.00 0.00 0.00 179.01 179.19 1do9 h LEU 70 N -0.02 0.10 -1.61 1.33 3.38 -1.41 0.11 115.31 117.19 1do9 h LEU 70 Ca -0.02 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.15 1do9 h LEU 70 Cb 1.04 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.71 1do9 h LEU 70 CO 0.08 0.06 0.58 0.28 0.09 0.00 0.00 178.44 179.54 1do9 h SER 71 N 0.11 0.33 0.13 -0.43 0.02 -1.28 -0.99 113.55 111.45 1do9 h SER 71 Ca 0.19 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 1do9 h SER 71 Cb 0.59 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 1do9 h SER 71 CO -0.02 0.14 -0.06 0.50 -1.14 0.00 0.00 176.83 176.24 1do9 h LYS 72 N 0.33 0.00 -0.01 3.45 3.11 -0.99 -0.55 116.57 121.91 1do9 h LYS 72 Ca 0.44 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.28 1do9 h LYS 72 Cb 1.20 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.43 1do9 h LYS 72 CO -0.14 0.06 -0.43 -2.37 -2.81 0.00 0.00 179.45 173.76 1do9 n THR 73 N -3.95 0.00 -0.08 1.00 5.66 -0.39 -4.30 114.28 112.22 1do9 n THR 73 Ca -0.03 -0.20 -0.09 0.00 -3.05 0.00 0.00 64.05 60.68 1do9 n THR 73 Cb 0.15 0.95 -0.16 0.00 -1.55 0.00 0.00 70.33 69.73 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 -0.31 0.21 -1.68 1.09 3.01 -0.32 -4.91 117.46 114.54 1do9 n PHE 74 Ca 0.10 0.08 -0.45 0.00 1.01 0.00 0.00 57.45 58.19 1do9 n PHE 74 Cb 0.42 -1.03 -0.04 0.00 -0.01 0.00 0.00 39.48 38.83 1do9 n PHE 74 CO 0.00 0.00 0.00 1.51 1.01 0.00 0.00 176.76 179.28 1do9 n ILE 75 N -2.80 0.20 0.07 4.37 3.06 -0.58 -1.09 119.36 122.58 1do9 n ILE 75 Ca -0.29 -0.05 0.02 0.00 -2.50 0.00 0.00 62.75 59.93 1do9 n ILE 75 Cb 1.13 -1.64 0.03 0.00 0.54 0.00 0.00 39.64 39.70 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 3.22 0.42 -3.74 9.51 -6.64 -0.77 -4.89 119.36 116.47 1do9 n ILE 76 Ca 0.15 -0.71 0.00 0.00 -1.77 0.00 0.00 62.75 60.42 1do9 n ILE 76 Cb 0.31 0.84 0.00 0.00 -1.44 0.00 0.00 39.64 39.34 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 0.07 -0.94 3.22 3.28 0.00 -1.24 -4.53 105.19 105.04 1do9 n GLY 77 Ca 0.03 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 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 0.98 0.50 1.61 -1.05 -1.26 -3.10 118.70 114.91 1do9 s GLU 78 Ca 0.00 -1.42 -0.23 0.00 -0.15 0.00 0.00 54.97 53.17 1do9 s GLU 78 Cb 0.00 -0.41 -0.06 0.00 -0.44 0.00 0.00 34.13 33.22 1do9 s GLU 78 CO 0.00 0.01 1.36 -0.51 0.95 0.00 0.00 175.26 177.07 1do9 s LEU 79 N -3.12 3.96 0.69 1.83 1.02 -1.12 -2.29 118.68 119.65 1do9 s LEU 79 Ca 0.16 2.77 -0.17 0.00 0.02 0.00 0.00 54.13 56.91 1do9 s LEU 79 Cb 0.04 -4.15 -0.04 0.00 0.02 0.00 0.00 46.19 42.06 1do9 s LEU 79 CO -0.01 -1.36 0.59 1.41 0.02 0.00 0.00 176.35 177.00 1do9 n HIS 80 N -0.67 -0.56 -0.04 0.29 8.25 -0.74 -4.78 115.22 116.97 1do9 n HIS 80 Ca 0.08 0.37 -0.16 0.00 -0.26 0.00 0.00 57.72 57.76 1do9 n HIS 80 Cb 0.44 -1.95 -0.08 0.00 1.12 0.00 0.00 29.99 29.53 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 -0.20 0.59 -0.81 -0.41 0.13 -1.93 -1.60 132.00 127.76 1do9 h PRO 81 Ca -0.46 -0.45 0.10 0.00 -0.87 0.00 0.00 66.00 64.33 1do9 h PRO 81 Cb 1.36 0.08 -0.06 0.00 0.13 0.00 0.00 31.00 32.51 1do9 h PRO 81 CO 0.44 1.07 0.53 -0.44 -0.23 0.00 0.00 178.00 179.37 1do9 h ASP 82 N 0.23 0.66 -0.96 1.44 3.32 -2.02 -1.49 116.42 117.60 1do9 h ASP 82 Ca -0.02 0.02 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 1do9 h ASP 82 Cb 1.14 -0.12 -0.29 0.00 0.22 0.00 0.00 39.33 40.27 1do9 h ASP 82 CO 0.11 0.39 0.69 0.47 -1.72 0.00 0.00 179.24 179.17 1do9 n ASP 83 N -4.51 5.76 -0.05 6.45 8.00 -0.90 -4.34 116.55 126.96 1do9 n ASP 83 Ca 0.14 -3.72 -0.05 0.00 0.71 0.00 0.00 54.79 51.87 1do9 n ASP 83 Cb 0.34 -0.89 -0.06 0.00 -0.02 0.00 0.00 41.12 40.49 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 -1.02 1.83 -0.43 -1.24 0.63 -0.56 -4.55 116.66 111.33 1do9 n ARG 84 Ca 0.60 0.02 0.07 0.00 -0.92 0.00 0.00 57.85 57.62 1do9 n ARG 84 Cb 1.10 -1.23 0.15 0.00 0.45 0.00 0.00 32.46 32.93 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 -2.49 1.78 -2.70 6.15 2.88 -1.26 -4.72 113.62 113.27 1do9 n SER 85 Ca -0.16 -3.23 -0.08 0.00 -1.33 0.00 0.00 58.87 54.07 1do9 n SER 85 Cb 0.77 -0.44 0.08 0.00 -0.75 0.00 0.00 64.21 63.87 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 -1.03 1.16 -3.06 -1.46 4.81 -1.26 -5.12 118.16 112.20 1do9 n LYS 86 Ca 0.15 -2.44 -0.13 0.00 -0.87 0.00 0.00 58.31 55.01 1do9 n LYS 86 Cb 0.71 -0.61 -0.03 0.00 0.02 0.00 0.00 35.03 35.12 1do9 n LYS 86 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1do9 n LEU 87 N -0.32 0.00 0.00 3.14 4.77 -1.26 -4.68 117.00 118.65 1do9 n LEU 87 Ca 0.03 -1.32 0.00 0.00 -0.03 0.00 0.00 56.01 54.69 1do9 n LEU 87 Cb 0.83 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 42.05 1do9 n LEU 87 CO 0.07 -0.21 0.00 -0.24 -1.33 0.00 0.00 177.39 175.68 1do9 n SER 88 N -1.21 0.00 -3.98 -1.43 2.88 -1.26 -4.27 113.62 104.35 1do9 n SER 88 Ca -0.08 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.15 1do9 n SER 88 Cb 0.27 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.59 1do9 n SER 88 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1do9 s LYS 89 N 0.00 1.83 0.34 -1.46 1.02 -1.26 -4.94 119.74 115.26 1do9 s LYS 89 Ca 0.00 -2.37 0.08 0.00 0.02 0.00 0.00 55.97 53.71 1do9 s LYS 89 Cb 0.00 -3.30 0.60 0.00 -0.52 0.00 0.00 37.83 34.61 1do9 s LYS 89 CO 0.00 -1.05 1.79 -1.00 -0.92 0.00 0.00 175.35 174.16 1do9 h PRO 90 N 6.90 0.20 -3.16 -1.68 0.13 -1.84 -3.50 132.00 129.05 1do9 h PRO 90 Ca -0.07 -0.08 0.31 0.00 -0.87 0.00 0.00 66.00 65.30 1do9 h PRO 90 Cb 0.94 -0.01 -0.17 0.00 0.13 0.00 0.00 31.00 31.88 1do9 h PRO 90 CO 0.63 0.50 -1.16 -1.33 -0.23 0.00 0.00 178.00 176.42 1do9 n MET 91 N -4.12 -3.02 -4.17 0.86 2.81 -1.26 -5.05 117.12 103.18 1do9 n MET 91 Ca -0.01 2.47 -0.16 0.00 -1.81 0.00 0.00 57.70 58.19 1do9 n MET 91 Cb 0.40 -3.52 -0.06 0.00 -0.71 0.00 0.00 33.22 29.32 1do9 n MET 91 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1do9 s GLU 92 N -4.18 1.74 0.47 0.03 2.12 -1.26 -5.18 118.70 112.44 1do9 s GLU 92 Ca 0.00 -1.82 0.07 0.00 0.36 0.00 0.00 54.97 53.58 1do9 s GLU 92 Cb 0.00 0.38 -0.00 0.00 0.26 0.00 0.00 34.13 34.76 1do9 s GLU 92 CO 0.00 -0.68 0.34 0.95 -0.54 0.00 0.00 175.26 175.33 1do9 s THR 93 N -3.40 2.15 -2.00 -1.70 -4.23 -1.26 -5.32 115.64 99.88 1do9 s THR 93 Ca 0.35 -1.50 0.14 0.00 -1.18 0.00 0.00 61.69 59.50 1do9 s THR 93 Cb 0.02 -2.65 0.39 0.00 1.34 0.00 0.00 72.50 71.59 1do9 s THR 93 CO 0.22 0.00 1.23 -0.11 -0.54 0.00 0.00 174.62 175.42