#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 0.78 -1.31 -0.67 1.02 -1.26 -5.05 119.74 113.25 1do9 s LYS 2 Ca 0.00 -0.55 -0.10 0.00 0.02 0.00 0.00 55.97 55.34 1do9 s LYS 2 Cb 0.00 -0.74 -0.06 0.00 -0.52 0.00 0.00 37.83 36.50 1do9 s LYS 2 CO 0.00 0.19 2.50 -0.25 -0.92 0.00 0.00 175.35 176.87 1do9 n ASP 3 N 2.30 6.32 -3.39 2.83 8.00 -1.26 -4.67 116.55 126.68 1do9 n ASP 3 Ca -0.16 -2.55 -0.17 0.00 0.71 0.00 0.00 54.79 52.62 1do9 n ASP 3 Cb 0.56 -1.40 -0.09 0.00 -0.02 0.00 0.00 41.12 40.17 1do9 n ASP 3 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1do9 s VAL 4 N 2.95 -0.38 -2.16 2.53 1.01 -1.26 -4.26 120.40 118.82 1do9 s VAL 4 Ca 0.56 -0.62 0.28 0.00 0.00 0.00 0.00 61.98 62.20 1do9 s VAL 4 Cb 0.15 -0.92 0.52 0.00 0.00 0.00 0.00 36.38 36.13 1do9 s VAL 4 CO -0.04 -0.50 1.78 1.17 0.00 0.00 0.00 175.10 177.51 1do9 n LYS 5 N 5.04 1.27 -2.98 2.72 4.81 -1.23 -4.85 118.16 122.93 1do9 n LYS 5 Ca 0.01 -0.64 -0.01 0.00 -0.87 0.00 0.00 58.31 56.80 1do9 n LYS 5 Cb 0.46 -1.49 -0.01 0.00 0.02 0.00 0.00 35.03 34.01 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 -0.30 -1.38 -4.13 5.64 4.02 -1.26 -4.93 117.16 114.82 1do9 n TYR 6 Ca 0.18 0.71 -0.26 0.00 -0.01 0.00 0.00 57.90 58.52 1do9 n TYR 6 Cb 0.31 -1.96 -0.06 0.00 -0.02 0.00 0.00 39.34 37.61 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 -0.71 3.03 0.36 -0.72 2.02 -1.07 -4.87 117.35 115.40 1do9 s TYR 7 Ca -0.05 -0.07 -0.00 0.00 -0.37 0.00 0.00 57.07 56.58 1do9 s TYR 7 Cb 0.00 -1.45 -0.03 0.00 -0.40 0.00 0.00 41.96 40.08 1do9 s TYR 7 CO 0.26 0.52 0.58 0.95 -1.57 0.00 0.00 175.55 176.29 1do9 s THR 8 N -1.79 5.08 0.38 -0.71 -4.23 -1.26 -2.07 115.64 111.04 1do9 s THR 8 Ca 0.30 -0.37 0.08 0.00 -1.18 0.00 0.00 61.69 60.52 1do9 s THR 8 Cb -0.10 -3.86 0.30 0.00 1.34 0.00 0.00 72.50 70.18 1do9 s THR 8 CO 0.22 -0.59 1.97 -0.07 -0.54 0.00 0.00 174.62 175.61 1do9 h LEU 9 N 0.71 0.58 -0.38 4.79 -0.00 -1.99 0.13 115.31 119.16 1do9 h LEU 9 Ca -0.49 0.00 0.06 0.00 -0.00 0.00 0.00 57.88 57.45 1do9 h LEU 9 Cb 1.22 -0.12 -0.06 0.00 -0.00 0.00 0.00 40.66 41.70 1do9 h LEU 9 CO 0.61 0.38 0.04 -0.33 -0.00 0.00 0.00 178.44 179.14 1do9 h GLU 10 N 0.66 0.15 -0.62 1.13 5.08 -1.94 -0.80 114.58 118.24 1do9 h GLU 10 Ca 0.29 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.62 1do9 h GLU 10 Cb 0.29 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1do9 h GLU 10 CO -0.09 0.10 0.30 0.93 -1.00 0.00 0.00 179.01 179.25 1do9 h GLU 11 N 0.15 0.88 -0.58 2.33 4.39 -1.14 -1.36 114.58 119.25 1do9 h GLU 11 Ca 0.19 -0.13 0.03 0.00 0.34 0.00 0.00 59.36 59.79 1do9 h GLU 11 Cb 0.24 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 1do9 h GLU 11 CO -0.28 0.70 0.38 0.82 -1.16 0.00 0.00 179.01 179.48 1do9 h ILE 12 N 0.84 1.09 -0.06 3.13 5.03 -0.79 0.55 117.51 127.30 1do9 h ILE 12 Ca 0.21 -0.24 0.00 0.00 -0.12 0.00 0.00 64.86 64.71 1do9 h ILE 12 Cb 0.11 0.33 0.00 0.00 -3.03 0.00 0.00 36.82 34.23 1do9 h ILE 12 CO -0.03 0.13 0.00 0.29 -0.68 0.00 0.00 178.15 177.86 1do9 n LYS 13 N -4.46 1.42 0.00 2.37 5.02 -0.36 -2.22 118.16 119.94 1do9 n LYS 13 Ca 0.07 -0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.01 1do9 n LYS 13 Cb 0.12 -1.58 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 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 0.58 -1.20 1.97 5.02 0.17 -4.73 118.16 120.03 1do9 n LYS 14 Ca 0.03 -0.70 -0.02 0.00 -2.02 0.00 0.00 58.31 55.60 1do9 n LYS 14 Cb 0.35 -0.81 0.13 0.00 -0.02 0.00 0.00 35.03 34.68 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 -0.15 0.74 -2.45 2.13 8.25 -0.94 -4.88 115.22 117.92 1do9 n HIS 15 Ca 0.00 -1.58 -0.41 0.00 -0.26 0.00 0.00 57.72 55.47 1do9 n HIS 15 Cb 0.21 -0.26 0.01 0.00 1.12 0.00 0.00 29.99 31.08 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 -0.77 7.24 -4.11 0.41 6.94 -1.25 -1.56 115.26 122.15 1do9 n ASN 16 Ca 0.23 -3.42 -0.09 0.00 -0.02 0.00 0.00 54.58 51.27 1do9 n ASN 16 Cb 0.83 -1.28 -0.10 0.00 -2.36 0.00 0.00 39.78 36.88 1do9 n ASN 16 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 1do9 s HIS 17 N -2.65 0.75 -1.06 -2.53 3.76 -1.26 -4.95 115.29 107.34 1do9 s HIS 17 Ca 0.43 -1.15 0.14 0.00 -0.15 0.00 0.00 55.06 54.33 1do9 s HIS 17 Cb 0.16 -0.41 0.62 0.00 1.11 0.00 0.00 32.58 34.06 1do9 s HIS 17 CO -0.07 -0.52 1.44 -1.13 -0.85 0.00 0.00 174.74 173.61 1do9 n SER 18 N -0.08 0.00 -0.10 1.40 3.41 -1.26 -0.29 113.62 116.70 1do9 n SER 18 Ca -0.07 0.44 0.11 0.00 -0.26 0.00 0.00 58.87 59.08 1do9 n SER 18 Cb 0.63 -0.47 -0.03 0.00 -0.26 0.00 0.00 64.21 64.09 1do9 n SER 18 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1do9 n LYS 19 N -1.47 0.26 -2.01 4.33 2.85 -1.26 -4.55 118.16 116.31 1do9 n LYS 19 Ca 0.04 -0.20 -0.03 0.00 -1.05 0.00 0.00 58.31 57.07 1do9 n LYS 19 Cb 0.16 -1.50 0.04 0.00 -0.65 0.00 0.00 35.03 33.08 1do9 n LYS 19 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1do9 n SER 20 N -1.19 -0.53 -4.44 -5.58 7.64 -0.78 -4.96 113.62 103.77 1do9 n SER 20 Ca 0.05 -2.09 -0.15 0.00 1.01 0.00 0.00 58.87 57.69 1do9 n SER 20 Cb 0.36 0.26 -0.14 0.00 -1.01 0.00 0.00 64.21 63.67 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 -0.65 0.00 -2.75 0.44 -1.04 0.60 -4.40 114.28 106.48 1do9 n THR 21 Ca -0.14 -0.45 -0.21 0.00 -2.04 0.00 0.00 64.05 61.20 1do9 n THR 21 Cb 0.84 -0.69 0.07 0.00 -1.82 0.00 0.00 70.33 68.74 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 5.37 1.88 0.06 -1.42 0.52 -0.60 -1.31 118.94 123.45 1do9 s TRP 22 Ca 0.95 -0.36 -0.28 0.00 0.02 0.00 0.00 56.10 56.43 1do9 s TRP 22 Cb -0.45 -2.69 0.09 0.00 -1.15 0.00 0.00 33.47 29.28 1do9 s TRP 22 CO 0.31 -1.30 1.13 -0.48 0.02 0.00 0.00 176.95 176.64 1do9 s LEU 23 N -4.88 -0.12 -0.49 2.99 0.05 -0.76 -0.86 118.68 114.61 1do9 s LEU 23 Ca 0.62 -0.25 -0.05 0.00 0.05 0.00 0.00 54.13 54.50 1do9 s LEU 23 Cb -0.07 1.74 0.13 0.00 -2.05 0.00 0.00 46.19 45.94 1do9 s LEU 23 CO 0.41 -0.58 0.32 -0.63 -0.55 0.00 0.00 176.35 175.32 1do9 s ILE 24 N -2.82 3.71 -0.50 1.48 1.01 -0.35 -2.24 121.20 121.48 1do9 s ILE 24 Ca 0.13 -2.22 -0.16 0.00 0.00 0.00 0.00 60.65 58.39 1do9 s ILE 24 Cb 0.02 -3.47 0.09 0.00 0.01 0.00 0.00 42.46 39.10 1do9 s ILE 24 CO -0.01 -0.77 0.48 -0.76 0.00 0.00 0.00 174.94 173.88 1do9 s LEU 25 N 0.87 5.65 0.00 2.97 1.43 -1.19 -2.81 118.68 125.60 1do9 s LEU 25 Ca 0.10 -1.39 0.00 0.00 -1.03 0.00 0.00 54.13 51.81 1do9 s LEU 25 Cb -0.23 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 43.76 1do9 s LEU 25 CO -0.03 -0.77 0.00 1.41 0.23 0.00 0.00 176.35 177.18 1do9 n HIS 26 N 5.45 -1.44 0.18 0.29 8.25 -1.26 -3.48 115.22 123.21 1do9 n HIS 26 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 1do9 n HIS 26 Cb 0.43 0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.69 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 -0.97 0.00 -3.82 4.41 1.44 -1.26 -4.71 115.22 110.31 1do9 n HIS 27 Ca 0.00 -0.20 -0.11 0.00 -2.01 0.00 0.00 57.72 55.40 1do9 n HIS 27 Cb 0.00 -0.20 -0.09 0.00 0.12 0.00 0.00 29.99 29.82 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 0.88 0.65 -0.10 -1.40 1.02 -1.23 -3.57 119.74 115.99 1do9 s LYS 28 Ca 0.00 -0.47 -0.05 0.00 0.02 0.00 0.00 55.97 55.47 1do9 s LYS 28 Cb 0.00 0.27 -0.04 0.00 -0.52 0.00 0.00 37.83 37.55 1do9 s LYS 28 CO 0.00 -0.18 0.11 0.08 -0.92 0.00 0.00 175.35 174.44 1do9 s VAL 29 N -2.00 5.22 0.10 3.17 1.01 -0.75 -3.20 120.40 123.94 1do9 s VAL 29 Ca -0.09 0.07 0.04 0.00 0.00 0.00 0.00 61.98 61.99 1do9 s VAL 29 Cb -0.04 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 1do9 s VAL 29 CO -0.01 0.59 -0.10 -0.31 0.00 0.00 0.00 175.10 175.28 1do9 s TYR 30 N -1.02 1.04 -0.16 5.22 2.02 -0.95 -1.89 117.35 121.61 1do9 s TYR 30 Ca 0.16 -0.67 -0.04 0.00 -0.37 0.00 0.00 57.07 56.14 1do9 s TYR 30 Cb -0.12 -0.57 0.07 0.00 -0.40 0.00 0.00 41.96 40.94 1do9 s TYR 30 CO 0.05 -0.01 0.14 0.34 -1.57 0.00 0.00 175.55 174.49 1do9 s ASP 31 N -2.47 1.80 -0.14 2.29 -1.08 0.33 -1.83 116.67 115.57 1do9 s ASP 31 Ca 0.06 -0.35 0.15 0.00 -0.52 0.00 0.00 52.55 51.89 1do9 s ASP 31 Cb -0.02 0.01 0.46 0.00 -1.46 0.00 0.00 42.92 41.91 1do9 s ASP 31 CO -0.00 -0.33 1.37 0.18 0.52 0.00 0.00 175.17 176.91 1do9 n LEU 32 N 5.30 3.58 -0.10 -1.34 4.77 -0.42 -4.65 117.00 124.14 1do9 n LEU 32 Ca -0.06 -2.80 -0.07 0.00 -0.03 0.00 0.00 56.01 53.05 1do9 n LEU 32 Cb 0.49 -0.47 -0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1do9 n LEU 32 CO 0.09 0.68 0.69 0.74 -1.33 0.00 0.00 177.39 178.26 1do9 h THR 33 N 1.72 0.36 -0.00 -5.08 2.02 -1.88 0.41 112.91 110.45 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 1.26 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1do9 h THR 33 CO 0.16 0.00 -0.03 1.17 0.37 0.00 0.00 175.52 177.20 1do9 n LYS 34 N -5.39 0.58 0.00 6.66 0.00 -1.26 -2.89 118.16 115.86 1do9 n LYS 34 Ca 0.01 -0.06 0.08 0.00 0.00 0.00 0.00 58.31 58.33 1do9 n LYS 34 Cb 0.30 -1.50 -0.03 0.00 0.00 0.00 0.00 35.03 33.80 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 -1.15 0.00 0.00 5.64 7.35 -0.04 -4.56 117.46 124.70 1do9 n PHE 35 Ca 0.16 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.85 1do9 n PHE 35 Cb 0.23 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.06 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 -0.56 0.00 -0.86 -2.13 4.77 0.12 -0.24 117.00 118.10 1do9 n LEU 36 Ca 0.05 0.87 -0.00 0.00 -0.03 0.00 0.00 56.01 56.90 1do9 n LEU 36 Cb 0.30 -0.37 0.01 0.00 -2.33 0.00 0.00 43.42 41.03 1do9 n LEU 36 CO 0.24 -0.37 0.43 -0.62 -1.33 0.00 0.00 177.39 175.74 1do9 n GLU 37 N -2.09 1.07 0.00 3.23 1.02 -1.26 -2.83 120.64 119.78 1do9 n GLU 37 Ca 0.00 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 1do9 n GLU 37 Cb 0.00 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 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 0.29 -0.38 -3.23 3.49 1.02 -0.42 -5.07 120.64 116.33 1do9 n GLU 38 Ca 0.02 -0.26 -0.39 0.00 -0.02 0.00 0.00 57.16 56.51 1do9 n GLU 38 Cb 0.44 -0.73 -0.06 0.00 -0.02 0.00 0.00 31.44 31.08 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 3.46 -0.94 -0.32 2.46 0.66 -4.99 115.29 115.60 1do9 s HIS 39 Ca 0.00 0.91 -0.24 0.00 0.47 0.00 0.00 55.06 56.20 1do9 s HIS 39 Cb 0.00 -2.65 -0.01 0.00 -0.13 0.00 0.00 32.58 29.79 1do9 s HIS 39 CO 0.00 0.04 1.76 -1.25 -2.47 0.00 0.00 174.74 172.82 1do9 s PRO 40 N 1.10 2.93 0.00 2.88 0.04 -1.26 -3.98 135.00 136.71 1do9 s PRO 40 Ca 0.27 -0.59 0.00 0.00 0.04 0.00 0.00 61.00 60.72 1do9 s PRO 40 Cb -0.16 -5.17 0.00 0.00 0.04 0.00 0.00 34.50 29.22 1do9 s PRO 40 CO 0.11 -2.95 0.00 0.41 0.04 0.00 0.00 177.00 174.61 1do9 n GLY 41 N 6.86 -1.17 3.51 0.56 0.00 -1.26 -5.12 105.19 108.57 1do9 n GLY 41 Ca 0.37 0.39 -0.14 0.00 0.00 0.00 0.00 46.02 46.64 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 -0.46 0.05 -0.02 0.00 -1.26 -5.04 107.32 100.59 1do9 s GLY 42 Ca 0.00 1.65 0.13 0.00 0.00 0.00 0.00 44.72 46.50 1do9 s GLY 42 CO 0.00 1.40 0.91 1.05 0.00 0.00 0.00 173.10 176.46 1do9 h GLU 43 N 4.96 0.00 -0.19 2.90 9.09 -1.85 -3.40 114.58 126.09 1do9 h GLU 43 Ca -0.28 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 58.97 1do9 h GLU 43 Cb 1.17 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.26 1do9 h GLU 43 CO 0.15 0.54 -0.53 1.05 0.05 0.00 0.00 179.01 180.27 1do9 h GLU 44 N 0.00 0.55 -0.18 1.06 9.09 -1.96 -1.28 114.58 121.87 1do9 h GLU 44 Ca -0.17 -0.34 0.05 0.00 0.05 0.00 0.00 59.36 58.95 1do9 h GLU 44 Cb 1.79 0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 28.92 1do9 h GLU 44 CO 0.08 0.94 0.18 -0.24 0.05 0.00 0.00 179.01 180.02 1do9 h VAL 45 N 0.43 0.54 0.00 -1.06 3.04 -1.99 0.78 116.25 117.99 1do9 h VAL 45 Ca 0.01 0.00 -0.12 0.00 -1.01 0.00 0.00 66.70 65.58 1do9 h VAL 45 Cb 1.06 0.86 -0.02 0.00 -2.01 0.00 0.00 31.29 31.18 1do9 h VAL 45 CO 0.10 0.00 -0.57 -0.07 -1.01 0.00 0.00 177.57 176.02 1do9 h LEU 46 N 0.00 0.00 0.03 3.16 3.38 -1.44 -2.81 115.31 117.63 1do9 h LEU 46 Ca 0.08 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.81 1do9 h LEU 46 Cb 0.44 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1do9 h LEU 46 CO -0.00 0.57 -1.22 -0.09 0.09 0.00 0.00 178.44 177.79 1do9 h ARG 47 N 0.00 0.07 0.00 1.13 2.43 -0.92 -2.91 114.38 114.18 1do9 h ARG 47 Ca -0.01 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1do9 h ARG 47 Cb 1.18 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1do9 h ARG 47 CO 0.07 0.96 0.00 0.93 -1.51 0.00 0.00 179.97 180.43 1do9 h GLU 48 N 0.02 0.00 0.00 0.20 4.39 -0.88 -1.72 114.58 116.59 1do9 h GLU 48 Ca -0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1do9 h GLU 48 Cb 1.87 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.52 1do9 h GLU 48 CO 0.14 0.00 -0.01 1.04 -1.16 0.00 0.00 179.01 179.01 1do9 n GLN 49 N -2.39 2.18 -1.67 2.33 1.13 -1.14 -5.02 117.38 112.81 1do9 n GLN 49 Ca 0.00 -1.81 -0.43 0.00 -1.94 0.00 0.00 57.00 52.82 1do9 n GLN 49 Cb 0.16 -1.13 -0.01 0.00 0.11 0.00 0.00 30.24 29.36 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 -0.78 0.99 -1.81 -1.58 0.00 -0.65 -0.82 120.51 115.86 1do9 n ALA 50 Ca 0.05 0.38 -0.08 0.00 0.00 0.00 0.00 53.44 53.79 1do9 n ALA 50 Cb 0.41 -2.22 -0.02 0.00 0.00 0.00 0.00 19.45 17.62 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 1.16 0.16 3.24 0.00 0.00 -0.04 -4.89 105.19 104.81 1do9 n GLY 51 Ca 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.83 1.76 -1.11 -0.02 0.00 0.00 -4.56 107.32 101.56 1do9 s GLY 52 Ca 0.00 -1.82 -0.21 0.00 0.00 0.00 0.00 44.72 42.68 1do9 s GLY 52 CO 0.00 -1.44 1.59 0.51 0.00 0.00 0.00 173.10 173.77 1do9 s ASP 53 N -3.24 6.47 0.00 1.64 1.47 -1.26 -1.21 116.67 120.55 1do9 s ASP 53 Ca 0.39 -1.74 0.29 0.00 1.18 0.00 0.00 52.55 52.68 1do9 s ASP 53 Cb 0.05 -2.57 1.44 0.00 -0.34 0.00 0.00 42.92 41.50 1do9 s ASP 53 CO 0.17 -1.53 2.00 0.00 0.68 0.00 0.00 175.17 176.49 1do9 n ALA 54 N 9.25 2.42 -0.27 2.11 0.00 -1.12 -3.92 120.51 128.98 1do9 n ALA 54 Ca 0.39 -0.13 0.04 0.00 0.00 0.00 0.00 53.44 53.74 1do9 n ALA 54 Cb 0.49 -1.47 0.26 0.00 0.00 0.00 0.00 19.45 18.73 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 1.07 -0.41 0.00 2.02 -1.87 0.23 112.91 113.96 1do9 h THR 55 Ca 0.00 -0.33 0.07 0.00 0.77 0.00 0.00 66.41 66.91 1do9 h THR 55 Cb 0.32 0.02 -0.06 0.00 -1.74 0.00 0.00 68.15 66.68 1do9 h THR 55 CO 0.00 0.18 0.05 -0.33 0.37 0.00 0.00 175.52 175.79 1do9 h GLU 56 N 0.97 0.17 -0.11 6.66 5.08 -1.95 -0.77 114.58 124.63 1do9 h GLU 56 Ca 0.36 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.70 1do9 h GLU 56 Cb 0.18 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 1do9 h GLU 56 CO -0.13 0.11 0.03 -0.97 -1.00 0.00 0.00 179.01 177.06 1do9 h ASN 57 N 0.18 0.16 -0.93 1.42 -0.73 -1.29 0.11 115.58 114.49 1do9 h ASN 57 Ca 0.20 -0.22 0.19 0.00 1.87 0.00 0.00 56.30 58.34 1do9 h ASN 57 Cb 0.26 -0.04 -0.11 0.00 0.27 0.00 0.00 38.32 38.70 1do9 h ASN 57 CO -0.28 0.34 0.50 0.15 -0.37 0.00 0.00 177.43 177.76 1do9 h PHE 58 N -0.02 0.87 0.05 0.67 3.04 -0.53 -0.01 116.94 121.01 1do9 h PHE 58 Ca 0.03 0.04 -0.26 0.00 3.98 0.00 0.00 57.97 61.76 1do9 h PHE 58 Cb 0.23 -0.24 -0.02 0.00 2.56 0.00 0.00 35.95 38.48 1do9 h PHE 58 CO 0.00 0.14 -1.30 0.93 -2.02 0.00 0.00 178.31 176.06 1do9 h GLU 59 N 0.61 0.11 -0.22 1.11 4.39 -0.97 -2.86 114.58 116.76 1do9 h GLU 59 Ca 0.54 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 60.04 1do9 h GLU 59 Cb 0.89 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.60 1do9 h GLU 59 CO -0.42 0.98 0.11 0.22 -1.16 0.00 0.00 179.01 178.74 1do9 h ASP 60 N 0.03 0.28 0.00 1.42 1.82 0.18 -2.05 116.42 118.11 1do9 h ASP 60 Ca -0.14 -0.11 -0.13 0.00 -0.39 0.00 0.00 57.03 56.26 1do9 h ASP 60 Cb 1.91 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 41.84 1do9 h ASP 60 CO 0.14 0.32 -0.40 1.62 -1.61 0.00 0.00 179.24 179.30 1do9 h VAL 61 N 0.23 1.30 -2.66 2.25 3.04 -1.15 -3.48 116.25 115.79 1do9 h VAL 61 Ca 0.08 -1.56 0.00 0.00 -1.01 0.00 0.00 66.70 64.20 1do9 h VAL 61 Cb 0.10 1.58 0.00 0.00 -2.01 0.00 0.00 31.29 30.96 1do9 h VAL 61 CO -0.01 0.49 0.00 0.61 -1.01 0.00 0.00 177.57 177.65 1do9 n GLY 62 N -0.04 0.90 3.63 3.17 0.00 -0.77 -5.01 105.19 107.06 1do9 n GLY 62 Ca -0.02 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.32 0.57 -1.60 1.61 8.25 -1.18 -5.02 115.22 116.52 1do9 n HIS 63 Ca 0.00 0.37 -0.29 0.00 -0.26 0.00 0.00 57.72 57.54 1do9 n HIS 63 Cb 0.44 -2.01 0.11 0.00 1.12 0.00 0.00 29.99 29.66 1do9 n HIS 63 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1do9 s SER 64 N -2.21 4.00 0.12 0.41 1.04 -1.26 -4.93 113.70 110.87 1do9 s SER 64 Ca 0.68 1.05 -0.12 0.00 0.48 0.00 0.00 55.95 58.04 1do9 s SER 64 Cb -0.27 -1.67 -0.11 0.00 0.10 0.00 0.00 66.02 64.07 1do9 s SER 64 CO 0.56 -2.25 1.37 0.74 0.98 0.00 0.00 173.24 174.64 1do9 h THR 65 N -1.29 1.27 -0.67 2.02 2.02 -1.99 -2.04 112.91 112.23 1do9 h THR 65 Ca -0.49 -1.81 0.09 0.00 0.77 0.00 0.00 66.41 64.97 1do9 h THR 65 Cb 1.31 1.74 -0.04 0.00 -1.74 0.00 0.00 68.15 69.42 1do9 h THR 65 CO 0.62 0.59 0.45 0.44 0.37 0.00 0.00 175.52 177.98 1do9 h ASP 66 N 0.63 0.50 0.12 4.18 5.19 -1.99 0.69 116.42 125.73 1do9 h ASP 66 Ca -0.01 0.01 -0.16 0.00 -0.62 0.00 0.00 57.03 56.26 1do9 h ASP 66 Cb 1.25 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.65 1do9 h ASP 66 CO 0.14 0.30 -0.56 0.00 -3.12 0.00 0.00 179.24 176.00 1do9 h ALA 67 N 1.66 0.74 -0.08 3.45 0.00 -1.86 -0.95 119.26 122.21 1do9 h ALA 67 Ca 0.31 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1do9 h ALA 67 Cb 0.46 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1do9 h ALA 67 CO -0.10 0.69 0.01 -0.09 0.00 0.00 0.00 179.25 179.76 1do9 h ARG 68 N 0.36 0.11 0.10 0.00 9.65 -0.16 -2.81 114.38 121.63 1do9 h ARG 68 Ca 0.00 -0.01 -0.14 0.00 -1.10 0.00 0.00 59.98 58.73 1do9 h ARG 68 Cb 1.09 -0.02 0.01 0.00 -1.39 0.00 0.00 29.97 29.66 1do9 h ARG 68 CO 0.10 0.12 -0.62 0.93 2.80 0.00 0.00 179.97 183.30 1do9 h GLU 69 N 0.11 0.21 -0.48 0.20 4.39 -0.57 -2.88 114.58 115.57 1do9 h GLU 69 Ca 0.03 -0.36 0.14 0.00 0.34 0.00 0.00 59.36 59.50 1do9 h GLU 69 Cb 0.07 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1do9 h GLU 69 CO 0.00 1.17 0.37 -0.07 -1.16 0.00 0.00 179.01 179.32 1do9 h LEU 70 N -0.55 0.00 -1.26 1.33 3.38 -1.32 0.77 115.31 117.67 1do9 h LEU 70 Ca -0.11 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.02 1do9 h LEU 70 Cb 1.47 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.14 1do9 h LEU 70 CO 0.10 0.00 0.59 0.28 0.09 0.00 0.00 178.44 179.51 1do9 h SER 71 N 0.00 0.65 -0.64 -0.43 0.02 -1.26 -0.96 113.55 110.92 1do9 h SER 71 Ca 0.23 0.05 0.10 0.00 -0.84 0.00 0.00 61.79 61.33 1do9 h SER 71 Cb 0.96 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.39 1do9 h SER 71 CO -0.00 0.29 0.43 0.50 -1.14 0.00 0.00 176.83 176.91 1do9 h LYS 72 N 0.66 0.44 -0.01 3.45 1.63 -0.93 0.01 116.57 121.84 1do9 h LYS 72 Ca 0.49 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.26 1do9 h LYS 72 Cb 0.85 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.38 1do9 h LYS 72 CO -0.24 0.29 -0.07 0.25 -3.45 0.00 0.00 179.45 176.23 1do9 n THR 73 N -4.47 0.00 0.24 1.00 -2.24 -0.37 -3.46 114.28 104.97 1do9 n THR 73 Ca 0.11 -0.12 0.06 0.00 -2.27 0.00 0.00 64.05 61.83 1do9 n THR 73 Cb 0.38 0.08 -0.09 0.00 -2.10 0.00 0.00 70.33 68.60 1do9 n THR 73 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1do9 n PHE 74 N -0.54 0.00 -1.77 4.78 3.72 -0.08 -4.96 117.46 118.60 1do9 n PHE 74 Ca 0.18 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.16 1do9 n PHE 74 Cb 0.28 -0.18 -0.02 0.00 -0.94 0.00 0.00 39.48 38.61 1do9 n PHE 74 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1do9 s ILE 75 N -2.64 2.09 -0.47 4.37 1.01 -0.76 -0.51 121.20 124.28 1do9 s ILE 75 Ca -0.01 0.07 0.04 0.00 0.00 0.00 0.00 60.65 60.75 1do9 s ILE 75 Cb 0.09 -3.04 0.03 0.00 0.01 0.00 0.00 42.46 39.55 1do9 s ILE 75 CO 0.55 0.01 0.61 2.30 0.00 0.00 0.00 174.94 178.40 1do9 n ILE 76 N 2.98 0.00 -2.32 2.92 -6.64 -0.79 -4.88 119.36 110.62 1do9 n ILE 76 Ca 0.11 -0.50 0.00 0.00 -1.77 0.00 0.00 62.75 60.60 1do9 n ILE 76 Cb 0.37 1.08 0.00 0.00 -1.44 0.00 0.00 39.64 39.64 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 0.23 -1.60 3.20 3.28 0.00 -1.23 -3.56 105.19 105.52 1do9 n GLY 77 Ca 0.02 -1.09 -0.20 0.00 0.00 0.00 0.00 46.02 44.76 1do9 n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1do9 s GLU 78 N -1.41 0.90 0.24 1.61 2.12 -1.26 -1.81 118.70 119.08 1do9 s GLU 78 Ca 0.00 -1.02 -0.31 0.00 0.36 0.00 0.00 54.97 54.00 1do9 s GLU 78 Cb 0.00 -0.95 -0.14 0.00 0.26 0.00 0.00 34.13 33.30 1do9 s GLU 78 CO 0.00 0.21 1.37 1.28 -0.54 0.00 0.00 175.26 177.58 1do9 n LEU 79 N 1.20 2.93 -4.44 2.70 4.32 -1.23 -2.61 117.00 119.86 1do9 n LEU 79 Ca -0.21 1.15 -0.36 0.00 -0.02 0.00 0.00 56.01 56.58 1do9 n LEU 79 Cb 0.54 -1.41 0.08 0.00 -1.62 0.00 0.00 43.42 41.01 1do9 n LEU 79 CO 0.22 -0.60 -0.02 1.41 -1.22 0.00 0.00 177.39 177.18 1do9 n HIS 80 N 1.74 -1.10 -0.01 -1.77 8.25 -0.88 -4.78 115.22 116.67 1do9 n HIS 80 Ca 0.11 0.32 -0.14 0.00 -0.26 0.00 0.00 57.72 57.75 1do9 n HIS 80 Cb 0.31 -1.87 -0.02 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 -0.61 0.68 0.00 -0.41 0.13 -1.92 -2.13 132.00 127.74 1do9 h PRO 81 Ca -0.45 -0.51 -0.02 0.00 -0.87 0.00 0.00 66.00 64.15 1do9 h PRO 81 Cb 1.34 0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.56 1do9 h PRO 81 CO 0.40 1.13 -0.09 0.38 -0.23 0.00 0.00 178.00 179.60 1do9 h ASP 82 N 0.48 0.00 -0.92 1.44 2.03 -1.99 -1.88 116.42 115.59 1do9 h ASP 82 Ca -0.03 0.00 -0.63 0.00 -0.73 0.00 0.00 57.03 55.64 1do9 h ASP 82 Cb 1.29 0.00 -0.33 0.00 -0.83 0.00 0.00 39.33 39.46 1do9 h ASP 82 CO 0.14 0.09 0.37 0.47 -1.03 0.00 0.00 179.24 179.28 1do9 n ASP 83 N -4.14 6.75 0.00 4.15 8.00 -0.84 -4.48 116.55 126.00 1do9 n ASP 83 Ca -0.03 -3.78 0.00 0.00 0.71 0.00 0.00 54.79 51.70 1do9 n ASP 83 Cb 0.17 -0.79 0.00 0.00 -0.02 0.00 0.00 41.12 40.48 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 -0.87 2.24 -2.95 -1.24 0.00 -0.71 -4.62 116.66 108.52 1do9 n ARG 84 Ca 0.57 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 58.27 1do9 n ARG 84 Cb 0.78 -0.89 -0.01 0.00 0.00 0.00 0.00 32.46 32.34 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 -1.41 1.34 0.00 6.15 7.64 -1.25 -4.86 113.62 121.23 1do9 n SER 85 Ca 0.00 -2.94 0.00 0.00 1.01 0.00 0.00 58.87 56.94 1do9 n SER 85 Cb 0.20 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 1do9 n SER 85 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1do9 n LYS 86 N 0.10 0.00 -1.55 1.43 0.00 -1.26 -5.05 118.16 111.83 1do9 n LYS 86 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 58.31 58.30 1do9 n LYS 86 Cb 0.71 -0.28 -0.06 0.00 0.00 0.00 0.00 35.03 35.40 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 -1.50 1.88 -2.42 3.14 4.32 -1.26 -4.54 117.00 116.61 1do9 n LEU 87 Ca 0.00 -1.15 -0.03 0.00 -0.02 0.00 0.00 56.01 54.81 1do9 n LEU 87 Cb 0.00 -1.61 0.09 0.00 -1.62 0.00 0.00 43.42 40.28 1do9 n LEU 87 CO 0.00 -2.27 0.53 -0.24 -1.22 0.00 0.00 177.39 174.19 1do9 n SER 88 N 17.55 -1.20 -3.54 -1.43 2.88 -1.26 -5.10 113.62 121.51 1do9 n SER 88 Ca 0.45 -1.95 -0.02 0.00 -1.33 0.00 0.00 58.87 56.02 1do9 n SER 88 Cb 0.46 0.63 -0.05 0.00 -0.75 0.00 0.00 64.21 64.50 1do9 n SER 88 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1do9 s LYS 89 N 0.11 0.52 -1.22 -1.46 -2.85 -1.26 -5.07 119.74 108.50 1do9 s LYS 89 Ca 0.09 1.25 -0.19 0.00 -1.00 0.00 0.00 55.97 56.12 1do9 s LYS 89 Cb 0.31 0.65 -0.01 0.00 -2.06 0.00 0.00 37.83 36.72 1do9 s LYS 89 CO -0.08 -0.31 1.93 -0.35 0.10 0.00 0.00 175.35 176.64 1do9 n PRO 90 N 5.43 2.47 -3.85 1.78 -0.04 -1.26 -4.82 135.00 134.71 1do9 n PRO 90 Ca -0.09 -2.69 -0.08 0.00 -0.04 0.00 0.00 63.50 60.60 1do9 n PRO 90 Cb 0.50 -3.41 -0.00 0.00 -0.04 0.00 0.00 33.50 30.55 1do9 n PRO 90 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1do9 s MET 91 N 4.62 1.96 0.49 0.54 0.23 -1.26 -5.19 119.30 120.70 1do9 s MET 91 Ca 0.56 -1.19 0.06 0.00 -1.03 0.00 0.00 55.69 54.09 1do9 s MET 91 Cb 0.07 0.61 0.01 0.00 -1.53 0.00 0.00 34.83 33.99 1do9 s MET 91 CO 0.06 -0.91 0.37 -2.00 -2.03 0.00 0.00 175.02 170.51 1do9 s GLU 92 N -3.26 2.33 0.26 3.16 2.12 -1.26 -5.14 118.70 116.91 1do9 s GLU 92 Ca 0.14 -1.85 0.06 0.00 0.36 0.00 0.00 54.97 53.67 1do9 s GLU 92 Cb -0.05 -2.17 -0.05 0.00 0.26 0.00 0.00 34.13 32.12 1do9 s GLU 92 CO 0.09 -0.43 -0.05 -0.08 -0.54 0.00 0.00 175.26 174.25 1do9 s THR 93 N -2.66 1.45 0.00 -1.70 -1.32 -1.26 -5.22 115.64 104.93 1do9 s THR 93 Ca 0.39 -2.10 0.00 0.00 -1.21 0.00 0.00 61.69 58.78 1do9 s THR 93 Cb -0.02 -2.38 0.00 0.00 -1.51 0.00 0.00 72.50 68.59 1do9 s THR 93 CO 0.24 -0.34 0.00 -0.11 -2.21 0.00 0.00 174.62 172.20