#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 0.43 -0.36 -1.24 -2.85 -1.26 -5.02 119.74 109.44 1do9 s LYS 2 Ca 0.00 -0.10 0.11 0.00 -1.00 0.00 0.00 55.97 54.97 1do9 s LYS 2 Cb 0.00 0.06 0.45 0.00 -2.06 0.00 0.00 37.83 36.28 1do9 s LYS 2 CO 0.00 -0.64 1.09 -3.47 0.10 0.00 0.00 175.35 172.44 1do9 n ASP 3 N 4.11 3.63 0.00 0.03 -0.08 -1.26 -5.01 116.55 117.97 1do9 n ASP 3 Ca 0.08 -3.29 0.00 0.00 -1.51 0.00 0.00 54.79 50.07 1do9 n ASP 3 Cb 0.60 -0.45 0.00 0.00 2.34 0.00 0.00 41.12 43.61 1do9 n ASP 3 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1do9 n VAL 4 N -0.45 0.00 -0.09 5.18 0.31 -1.26 -5.09 118.33 116.92 1do9 n VAL 4 Ca 0.29 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.44 1do9 n VAL 4 Cb 0.79 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.65 1do9 n VAL 4 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1do9 n LYS 5 N 0.00 0.38 -3.18 5.55 4.76 -1.26 -5.08 118.16 119.33 1do9 n LYS 5 Ca 0.00 0.17 -0.00 0.00 -2.87 0.00 0.00 58.31 55.61 1do9 n LYS 5 Cb 0.00 -1.13 -0.00 0.00 -1.84 0.00 0.00 35.03 32.06 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 -3.81 -0.08 -4.08 2.13 4.01 -1.25 -4.92 117.16 109.14 1do9 n TYR 6 Ca -0.34 0.04 -0.26 0.00 -0.16 0.00 0.00 57.90 57.17 1do9 n TYR 6 Cb 0.74 -1.06 -0.06 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 -0.99 3.15 0.19 -0.72 2.02 -0.96 -4.80 117.35 115.23 1do9 s TYR 7 Ca -0.00 -0.01 -0.09 0.00 -0.37 0.00 0.00 57.07 56.60 1do9 s TYR 7 Cb 0.00 -1.52 -0.07 0.00 -0.40 0.00 0.00 41.96 39.98 1do9 s TYR 7 CO 0.02 0.52 0.49 0.95 -1.57 0.00 0.00 175.55 175.96 1do9 s THR 8 N -1.73 5.00 0.24 -0.71 -4.23 -1.26 -1.65 115.64 111.30 1do9 s THR 8 Ca 0.31 0.40 -0.05 0.00 -1.18 0.00 0.00 61.69 61.16 1do9 s THR 8 Cb -0.10 -3.63 0.23 0.00 1.34 0.00 0.00 72.50 70.33 1do9 s THR 8 CO 0.23 0.02 1.69 -0.07 -0.54 0.00 0.00 174.62 175.95 1do9 h LEU 9 N 2.82 0.02 -1.01 4.79 -0.00 -1.98 0.24 115.31 120.19 1do9 h LEU 9 Ca -0.47 0.14 0.23 0.00 -0.00 0.00 0.00 57.88 57.79 1do9 h LEU 9 Cb 1.17 0.19 -0.12 0.00 -0.00 0.00 0.00 40.66 41.90 1do9 h LEU 9 CO 0.69 -0.03 0.60 -0.08 -0.00 0.00 0.00 178.44 179.62 1do9 h GLU 10 N 0.27 0.60 0.23 1.13 4.81 -1.93 0.13 114.58 119.82 1do9 h GLU 10 Ca 0.41 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.59 1do9 h GLU 10 Cb 0.69 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1do9 h GLU 10 CO -0.50 0.40 -0.11 1.49 -0.73 0.00 0.00 179.01 179.55 1do9 h GLU 11 N 0.62 -0.30 -0.90 1.92 4.57 -0.93 -3.26 114.58 116.29 1do9 h GLU 11 Ca 0.63 0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.88 1do9 h GLU 11 Cb 1.17 0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 29.76 1do9 h GLU 11 CO -0.45 0.05 0.57 0.82 -1.18 0.00 0.00 179.01 178.81 1do9 h ILE 12 N -0.71 1.09 -0.05 2.32 2.04 -0.22 -0.77 117.51 121.21 1do9 h ILE 12 Ca -0.03 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.43 1do9 h ILE 12 Cb 0.49 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 1do9 h ILE 12 CO 0.05 0.19 0.04 2.29 0.00 0.00 0.00 178.15 180.72 1do9 n LYS 13 N -4.56 1.07 0.00 2.37 2.85 0.29 -3.09 118.16 117.09 1do9 n LYS 13 Ca 0.13 -0.15 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 1do9 n LYS 13 Cb 0.15 -1.06 0.00 0.00 -0.65 0.00 0.00 35.03 33.47 1do9 n LYS 13 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1do9 n LYS 14 N 0.96 0.00 -3.45 -1.58 4.81 -0.30 -4.95 118.16 113.65 1do9 n LYS 14 Ca 0.03 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.04 1do9 n LYS 14 Cb 0.53 -0.76 -0.06 0.00 0.02 0.00 0.00 35.03 34.76 1do9 n LYS 14 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1do9 s HIS 15 N -1.56 3.50 -0.04 5.64 0.09 -1.18 -4.78 115.29 116.96 1do9 s HIS 15 Ca 0.00 -1.93 0.25 0.00 -0.00 0.00 0.00 55.06 53.38 1do9 s HIS 15 Cb 0.00 -3.62 0.44 0.00 -0.00 0.00 0.00 32.58 29.40 1do9 s HIS 15 CO 0.00 -0.97 1.16 0.27 -0.00 0.00 0.00 174.74 175.20 1do9 n ASN 16 N 4.44 1.10 -4.33 1.40 0.23 -1.25 -2.76 115.26 114.08 1do9 n ASN 16 Ca 0.01 -2.01 -0.30 0.00 -0.53 0.00 0.00 54.58 51.75 1do9 n ASN 16 Cb 0.42 -0.33 -0.07 0.00 -2.08 0.00 0.00 39.78 37.72 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 0.31 0.69 -1.57 -2.53 1.44 -1.26 -4.86 115.22 107.44 1do9 n HIS 17 Ca 0.06 -2.60 -0.40 0.00 -2.01 0.00 0.00 57.72 52.77 1do9 n HIS 17 Cb 1.09 -0.18 -0.04 0.00 0.12 0.00 0.00 29.99 30.98 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 -1.41 3.14 0.00 4.39 7.64 -1.26 -2.38 113.62 123.74 1do9 n SER 18 Ca -0.14 -2.74 0.00 0.00 1.01 0.00 0.00 58.87 57.00 1do9 n SER 18 Cb 0.64 -1.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 1do9 n SER 18 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1do9 n LYS 19 N 7.15 0.00 -2.80 1.43 4.81 -1.26 -4.99 118.16 122.50 1do9 n LYS 19 Ca 0.49 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.83 1do9 n LYS 19 Cb 0.42 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.52 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 -0.37 -0.52 -4.45 3.14 7.64 -1.09 -4.90 113.62 113.07 1do9 n SER 20 Ca 0.00 -2.94 -0.12 0.00 1.01 0.00 0.00 58.87 56.82 1do9 n SER 20 Cb 0.00 0.46 -0.10 0.00 -1.01 0.00 0.00 64.21 63.57 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 -0.04 0.00 -2.28 0.44 -1.04 -1.00 -3.77 114.28 106.58 1do9 n THR 21 Ca 0.08 -0.28 -0.26 0.00 -2.04 0.00 0.00 64.05 61.56 1do9 n THR 21 Cb 0.77 -1.38 0.11 0.00 -1.82 0.00 0.00 70.33 68.01 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 11.48 2.09 -0.04 -1.42 0.52 -1.11 -1.70 118.94 128.75 1do9 s TRP 22 Ca 0.74 0.13 -0.31 0.00 0.02 0.00 0.00 56.10 56.68 1do9 s TRP 22 Cb -0.15 -3.35 0.12 0.00 -1.15 0.00 0.00 33.47 28.94 1do9 s TRP 22 CO 0.17 -1.83 1.21 -0.48 0.02 0.00 0.00 176.95 176.04 1do9 s LEU 23 N -5.36 -0.11 -0.44 2.99 0.05 -1.00 -0.59 118.68 114.22 1do9 s LEU 23 Ca 0.66 -0.12 0.02 0.00 0.05 0.00 0.00 54.13 54.73 1do9 s LEU 23 Cb -0.07 1.51 0.12 0.00 -2.05 0.00 0.00 46.19 45.69 1do9 s LEU 23 CO 0.46 -0.37 0.19 -0.63 -0.55 0.00 0.00 176.35 175.45 1do9 s ILE 24 N -2.56 2.76 -0.52 1.48 1.01 0.19 -1.72 121.20 121.84 1do9 s ILE 24 Ca 0.12 -2.61 -0.09 0.00 0.00 0.00 0.00 60.65 58.07 1do9 s ILE 24 Cb 0.02 -2.94 0.13 0.00 0.01 0.00 0.00 42.46 39.69 1do9 s ILE 24 CO -0.04 -0.71 0.39 -0.76 0.00 0.00 0.00 174.94 173.83 1do9 s LEU 25 N 0.53 5.74 -0.23 2.97 1.43 -1.21 -3.23 118.68 124.67 1do9 s LEU 25 Ca 0.13 -2.10 -0.02 0.00 -1.03 0.00 0.00 54.13 51.10 1do9 s LEU 25 Cb -0.22 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.00 1do9 s LEU 25 CO -0.05 -0.64 0.25 1.41 0.23 0.00 0.00 176.35 177.55 1do9 n HIS 26 N 4.65 -1.18 -3.61 0.29 8.25 -1.26 -3.93 115.22 118.43 1do9 n HIS 26 Ca -0.04 0.46 -0.19 0.00 -0.26 0.00 0.00 57.72 57.69 1do9 n HIS 26 Cb 0.41 -2.47 -0.04 0.00 1.12 0.00 0.00 29.99 29.01 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 -0.71 -4.04 4.41 1.44 -1.26 -4.90 115.22 109.19 1do9 n HIS 27 Ca 0.02 0.27 -0.10 0.00 -2.01 0.00 0.00 57.72 55.90 1do9 n HIS 27 Cb 0.38 -1.56 -0.07 0.00 0.12 0.00 0.00 29.99 28.86 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 -5.66 1.27 -0.18 -1.40 3.01 -1.25 -3.97 119.74 111.56 1do9 s LYS 28 Ca 0.06 -1.31 0.01 0.00 -1.01 0.00 0.00 55.97 53.72 1do9 s LYS 28 Cb -0.03 0.37 0.02 0.00 -1.01 0.00 0.00 37.83 37.18 1do9 s LYS 28 CO 0.56 -0.47 -0.19 0.08 0.51 0.00 0.00 175.35 175.83 1do9 s VAL 29 N -4.03 2.09 0.36 3.17 1.01 -0.75 -3.29 120.40 118.95 1do9 s VAL 29 Ca 0.24 -0.95 0.09 0.00 0.00 0.00 0.00 61.98 61.36 1do9 s VAL 29 Cb 0.03 -1.88 -0.06 0.00 0.00 0.00 0.00 36.38 34.46 1do9 s VAL 29 CO 0.06 0.52 -0.03 -0.31 0.00 0.00 0.00 175.10 175.34 1do9 s TYR 30 N 1.29 2.48 -0.23 5.22 1.51 -0.70 -0.84 117.35 126.07 1do9 s TYR 30 Ca 0.05 -0.53 -0.03 0.00 -1.01 0.00 0.00 57.07 55.55 1do9 s TYR 30 Cb -0.13 -1.53 0.11 0.00 -0.11 0.00 0.00 41.96 40.30 1do9 s TYR 30 CO -0.13 0.51 0.25 0.34 -1.11 0.00 0.00 175.55 175.41 1do9 s ASP 31 N -3.67 1.43 -0.33 2.29 2.15 0.24 -2.39 116.67 116.38 1do9 s ASP 31 Ca 0.34 -0.36 0.08 0.00 0.43 0.00 0.00 52.55 53.03 1do9 s ASP 31 Cb 0.04 0.47 0.56 0.00 -0.30 0.00 0.00 42.92 43.68 1do9 s ASP 31 CO 0.18 -0.35 1.60 0.18 -0.17 0.00 0.00 175.17 176.62 1do9 n LEU 32 N 5.32 4.91 -0.12 -1.34 4.77 -0.69 -4.66 117.00 125.19 1do9 n LEU 32 Ca -0.04 -3.70 -0.08 0.00 -0.03 0.00 0.00 56.01 52.16 1do9 n LEU 32 Cb 0.48 -0.69 0.01 0.00 -2.33 0.00 0.00 43.42 40.88 1do9 n LEU 32 CO 0.06 1.18 1.02 0.74 -1.33 0.00 0.00 177.39 179.05 1do9 h THR 33 N 1.07 1.06 -0.00 -5.08 2.02 -1.91 0.39 112.91 110.46 1do9 h THR 33 Ca 0.33 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.35 1do9 h THR 33 Cb 2.02 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.96 1do9 h THR 33 CO 0.60 0.09 -0.08 1.17 0.37 0.00 0.00 175.52 177.66 1do9 n LYS 34 N -4.85 0.83 0.00 6.66 0.00 -1.26 -3.24 118.16 116.29 1do9 n LYS 34 Ca 0.01 -0.28 0.08 0.00 0.00 0.00 0.00 58.31 58.11 1do9 n LYS 34 Cb 0.05 -1.49 -0.08 0.00 0.00 0.00 0.00 35.03 33.51 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 -0.84 0.00 0.02 5.64 7.35 -0.50 -4.47 117.46 124.66 1do9 n PHE 35 Ca 0.16 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.76 1do9 n PHE 35 Cb 0.26 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 40.04 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 0.34 -0.96 -2.63 -2.13 3.38 -0.25 0.21 115.31 113.28 1do9 h LEU 36 Ca 0.00 0.11 -0.16 0.00 0.09 0.00 0.00 57.88 57.92 1do9 h LEU 36 Cb 0.43 0.37 -0.10 0.00 0.09 0.00 0.00 40.66 41.45 1do9 h LEU 36 CO 0.00 -0.29 0.20 -0.62 0.09 0.00 0.00 178.44 177.83 1do9 n GLU 37 N -4.19 1.74 0.00 1.13 1.02 -1.26 -3.23 120.64 115.85 1do9 n GLU 37 Ca -0.04 -1.22 0.00 0.00 -0.02 0.00 0.00 57.16 55.88 1do9 n GLU 37 Cb 0.22 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 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 -0.07 0.50 -3.52 3.49 1.02 -0.06 -5.07 120.64 116.93 1do9 n GLU 38 Ca 0.21 -0.59 -0.37 0.00 -0.02 0.00 0.00 57.16 56.40 1do9 n GLU 38 Cb 0.90 -0.64 -0.07 0.00 -0.02 0.00 0.00 31.44 31.60 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 -0.20 3.45 -0.89 -0.32 2.46 0.55 -4.96 115.29 115.38 1do9 s HIS 39 Ca 0.00 0.58 -0.25 0.00 0.47 0.00 0.00 55.06 55.87 1do9 s HIS 39 Cb 0.00 -2.36 -0.01 0.00 -0.13 0.00 0.00 32.58 30.08 1do9 s HIS 39 CO 0.00 0.21 1.77 -1.25 -2.47 0.00 0.00 174.74 172.99 1do9 s PRO 40 N 0.57 2.87 0.00 2.88 0.04 -1.26 -3.96 135.00 136.15 1do9 s PRO 40 Ca 0.16 -0.39 0.00 0.00 0.04 0.00 0.00 61.00 60.81 1do9 s PRO 40 Cb -0.13 -5.00 0.00 0.00 0.04 0.00 0.00 34.50 29.40 1do9 s PRO 40 CO 0.04 -2.92 0.00 0.41 0.04 0.00 0.00 177.00 174.57 1do9 n GLY 41 N 6.63 -0.40 3.39 0.56 0.00 -1.26 -5.12 105.19 109.00 1do9 n GLY 41 Ca 0.34 0.18 -0.10 0.00 0.00 0.00 0.00 46.02 46.43 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 -0.18 -0.05 -0.02 0.00 -1.25 -5.06 107.32 100.75 1do9 s GLY 42 Ca 0.00 -0.13 0.08 0.00 0.00 0.00 0.00 44.72 44.67 1do9 s GLY 42 CO 0.00 -0.30 0.09 -1.84 0.00 0.00 0.00 173.10 171.05 1do9 n GLU 43 N -0.27 1.73 -0.08 2.90 0.28 -1.26 -4.58 120.64 119.36 1do9 n GLU 43 Ca -0.13 -0.03 -0.12 0.00 -0.16 0.00 0.00 57.16 56.71 1do9 n GLU 43 Cb 0.63 -1.21 0.00 0.00 1.43 0.00 0.00 31.44 32.30 1do9 n GLU 43 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1do9 h GLU 44 N 0.00 0.82 -0.47 3.44 4.81 -1.97 -1.46 114.58 119.75 1do9 h GLU 44 Ca -0.13 -0.46 0.14 0.00 -0.13 0.00 0.00 59.36 58.78 1do9 h GLU 44 Cb 1.06 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.45 1do9 h GLU 44 CO 0.01 1.10 0.51 -0.39 -0.73 0.00 0.00 179.01 179.50 1do9 h VAL 45 N 0.66 0.34 0.00 0.32 -1.51 -1.99 0.32 116.25 114.39 1do9 h VAL 45 Ca 0.04 0.00 -0.15 0.00 -1.23 0.00 0.00 66.70 65.36 1do9 h VAL 45 Cb 1.02 0.59 -0.02 0.00 -2.13 0.00 0.00 31.29 30.75 1do9 h VAL 45 CO 0.10 0.00 -0.72 -0.07 -1.23 0.00 0.00 177.57 175.65 1do9 h LEU 46 N 0.00 0.00 0.00 4.19 3.38 -1.52 -3.03 115.31 118.33 1do9 h LEU 46 Ca 0.22 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.03 1do9 h LEU 46 Cb 1.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 1do9 h LEU 46 CO -0.00 0.72 -0.85 -0.09 0.09 0.00 0.00 178.44 178.30 1do9 h ARG 47 N 0.00 0.00 0.00 1.13 2.43 -0.41 -1.48 114.38 116.05 1do9 h ARG 47 Ca -0.01 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1do9 h ARG 47 Cb 1.55 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.10 1do9 h ARG 47 CO 0.09 0.65 -0.02 0.93 -1.51 0.00 0.00 179.97 180.11 1do9 h GLU 48 N 0.00 0.00 0.00 0.20 4.39 -0.67 -2.43 114.58 116.07 1do9 h GLU 48 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1do9 h GLU 48 Cb 1.58 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.23 1do9 h GLU 48 CO 0.09 0.02 0.00 1.04 -1.16 0.00 0.00 179.01 178.99 1do9 n GLN 49 N -3.13 1.41 -1.57 2.33 1.13 -1.20 -5.03 117.38 111.34 1do9 n GLN 49 Ca -0.00 -1.07 -0.41 0.00 -1.94 0.00 0.00 57.00 53.58 1do9 n GLN 49 Cb 0.27 -0.96 0.01 0.00 0.11 0.00 0.00 30.24 29.68 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 -0.29 -0.30 -2.63 -1.58 0.00 -0.56 -0.90 120.51 114.24 1do9 n ALA 50 Ca 0.00 0.19 -0.08 0.00 0.00 0.00 0.00 53.44 53.55 1do9 n ALA 50 Cb 0.18 -2.00 -0.01 0.00 0.00 0.00 0.00 19.45 17.63 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 1.37 -0.49 2.98 0.00 0.00 0.25 -4.86 105.19 104.43 1do9 n GLY 51 Ca 0.10 0.01 -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 0.61 0.00 0.00 0.00 173.32 173.93 1do9 n GLY 52 N -0.68 1.90 3.45 -0.02 0.00 -0.08 -4.09 105.19 105.67 1do9 n GLY 52 Ca -0.05 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 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 -2.82 6.19 0.00 1.61 1.47 -1.25 -0.63 116.67 121.23 1do9 s ASP 53 Ca 0.21 -1.08 0.28 0.00 1.18 0.00 0.00 52.55 53.14 1do9 s ASP 53 Cb -0.02 -2.41 1.02 0.00 -0.34 0.00 0.00 42.92 41.18 1do9 s ASP 53 CO 0.15 -1.40 1.73 0.00 0.68 0.00 0.00 175.17 176.33 1do9 n ALA 54 N 7.55 2.69 -0.27 2.11 0.00 -1.20 -4.24 120.51 127.15 1do9 n ALA 54 Ca -0.03 -0.42 0.03 0.00 0.00 0.00 0.00 53.44 53.02 1do9 n ALA 54 Cb 0.45 -1.18 0.16 0.00 0.00 0.00 0.00 19.45 18.89 1do9 n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1do9 h THR 55 N 1.98 0.86 -0.96 0.00 2.02 -1.89 -0.18 112.91 114.72 1do9 h THR 55 Ca 0.00 -0.23 0.29 0.00 0.77 0.00 0.00 66.41 67.23 1do9 h THR 55 Cb 0.48 0.11 -0.15 0.00 -1.74 0.00 0.00 68.15 66.86 1do9 h THR 55 CO 0.00 0.12 0.46 1.05 0.37 0.00 0.00 175.52 177.52 1do9 h GLU 56 N 0.68 0.30 0.09 6.66 4.11 -1.94 0.10 114.58 124.58 1do9 h GLU 56 Ca 0.39 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.79 1do9 h GLU 56 Cb 0.41 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1do9 h GLU 56 CO -0.27 0.20 -0.05 -0.91 0.07 0.00 0.00 179.01 178.05 1do9 h ASN 57 N 0.30 -0.11 -1.22 3.06 2.35 -1.39 -1.11 115.58 117.47 1do9 h ASN 57 Ca 0.67 -0.29 0.35 0.00 -0.55 0.00 0.00 56.30 56.48 1do9 h ASN 57 Cb 1.45 0.03 -0.07 0.00 0.05 0.00 0.00 38.32 39.78 1do9 h ASN 57 CO -0.62 0.50 0.85 0.15 -1.65 0.00 0.00 177.43 176.66 1do9 h PHE 58 N -0.99 0.22 0.10 1.19 3.57 -0.45 0.45 116.94 121.04 1do9 h PHE 58 Ca -0.01 0.01 -0.26 0.00 3.53 0.00 0.00 57.97 61.24 1do9 h PHE 58 Cb 0.39 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.07 1do9 h PHE 58 CO 0.08 -0.00 -1.32 0.93 -2.23 0.00 0.00 178.31 175.76 1do9 h GLU 59 N 0.11 0.22 -0.22 1.11 4.39 -0.92 -2.69 114.58 116.58 1do9 h GLU 59 Ca 0.62 -0.38 0.05 0.00 0.34 0.00 0.00 59.36 60.00 1do9 h GLU 59 Cb 2.21 0.14 -0.07 0.00 -0.10 0.00 0.00 28.75 30.93 1do9 h GLU 59 CO -0.12 1.18 -0.40 0.22 -1.16 0.00 0.00 179.01 178.73 1do9 h ASP 60 N -0.38 -1.27 -0.16 1.42 1.82 0.38 0.66 116.42 118.89 1do9 h ASP 60 Ca -0.29 0.18 -0.09 0.00 -0.39 0.00 0.00 57.03 56.44 1do9 h ASP 60 Cb 1.70 0.54 -0.02 0.00 0.68 0.00 0.00 39.33 42.23 1do9 h ASP 60 CO 0.04 -0.39 -0.19 1.62 -1.61 0.00 0.00 179.24 178.71 1do9 h VAL 61 N -0.42 1.26 -2.27 2.25 3.04 -1.36 -3.47 116.25 115.27 1do9 h VAL 61 Ca 0.10 -1.19 0.00 0.00 -1.01 0.00 0.00 66.70 64.60 1do9 h VAL 61 Cb 0.60 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 31.10 1do9 h VAL 61 CO -0.45 0.39 0.00 0.61 -1.01 0.00 0.00 177.57 177.11 1do9 n GLY 62 N -0.45 0.66 3.36 3.17 0.00 0.22 -4.94 105.19 107.21 1do9 n GLY 62 Ca 0.00 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.14 -1.82 -0.99 1.61 8.25 -1.04 -4.98 115.22 115.12 1do9 n HIS 63 Ca 0.00 0.29 -0.29 0.00 -0.26 0.00 0.00 57.72 57.46 1do9 n HIS 63 Cb 0.46 -1.79 0.19 0.00 1.12 0.00 0.00 29.99 29.97 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 -1.44 2.41 0.04 0.41 1.04 -1.26 -4.90 113.70 110.00 1do9 s SER 64 Ca 0.59 1.41 -0.17 0.00 0.48 0.00 0.00 55.95 58.26 1do9 s SER 64 Cb -0.32 -2.09 -0.21 0.00 0.10 0.00 0.00 66.02 63.50 1do9 s SER 64 CO 0.64 -3.29 1.18 0.74 0.98 0.00 0.00 173.24 173.49 1do9 h THR 65 N -2.00 1.36 -0.58 2.02 2.02 -1.99 -2.41 112.91 111.33 1do9 h THR 65 Ca -0.54 -2.04 0.13 0.00 0.77 0.00 0.00 66.41 64.72 1do9 h THR 65 Cb 1.32 2.38 -0.03 0.00 -1.74 0.00 0.00 68.15 70.07 1do9 h THR 65 CO 0.54 0.61 0.40 -0.78 0.37 0.00 0.00 175.52 176.66 1do9 h ASP 66 N 0.14 0.22 -0.25 4.18 1.82 -2.00 0.19 116.42 120.71 1do9 h ASP 66 Ca -0.08 0.01 -0.16 0.00 -0.39 0.00 0.00 57.03 56.41 1do9 h ASP 66 Cb 1.37 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.35 1do9 h ASP 66 CO 0.14 0.12 -0.48 0.00 -1.61 0.00 0.00 179.24 177.41 1do9 h ALA 67 N 1.71 0.40 0.00 -0.78 0.00 -1.90 -2.53 119.26 116.16 1do9 h ALA 67 Ca 0.28 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1do9 h ALA 67 Cb 0.77 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1do9 h ALA 67 CO -0.06 0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.76 1do9 h ARG 68 N 0.51 0.00 0.04 0.00 3.08 -0.14 -2.86 114.38 115.01 1do9 h ARG 68 Ca 0.01 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 1do9 h ARG 68 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.13 1do9 h ARG 68 CO 0.11 0.00 -0.37 0.93 -1.07 0.00 0.00 179.97 179.56 1do9 h GLU 69 N 0.00 0.08 -0.28 0.04 5.08 -0.93 -3.24 114.58 115.33 1do9 h GLU 69 Ca 0.00 -0.13 0.08 0.00 -1.00 0.00 0.00 59.36 58.31 1do9 h GLU 69 Cb 0.17 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1do9 h GLU 69 CO 0.00 1.06 0.22 -0.07 -1.00 0.00 0.00 179.01 179.22 1do9 h LEU 70 N -0.83 0.00 -1.48 1.33 3.38 -1.40 0.15 115.31 116.46 1do9 h LEU 70 Ca -0.08 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.08 1do9 h LEU 70 Cb 1.21 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.89 1do9 h LEU 70 CO 0.01 0.00 0.59 0.77 0.09 0.00 0.00 178.44 179.90 1do9 h SER 71 N 0.00 0.44 0.15 -0.43 4.64 -1.53 -0.15 113.55 116.67 1do9 h SER 71 Ca 0.13 0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.47 1do9 h SER 71 Cb 0.57 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1do9 h SER 71 CO -0.00 0.18 -0.13 0.50 -0.87 0.00 0.00 176.83 176.51 1do9 h LYS 72 N 0.44 0.00 -0.01 4.77 3.11 -0.81 0.14 116.57 124.21 1do9 h LYS 72 Ca 0.46 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.30 1do9 h LYS 72 Cb 1.09 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.32 1do9 h LYS 72 CO -0.18 0.13 -0.12 0.25 -2.81 0.00 0.00 179.45 176.72 1do9 n THR 73 N -4.26 0.00 -0.04 1.00 -2.24 -0.10 -4.03 114.28 104.61 1do9 n THR 73 Ca -0.03 -0.17 -0.02 0.00 -2.27 0.00 0.00 64.05 61.56 1do9 n THR 73 Cb 0.20 0.35 -0.09 0.00 -2.10 0.00 0.00 70.33 68.69 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 -0.35 0.00 -1.67 4.78 3.72 0.07 -4.94 117.46 119.07 1do9 n PHE 74 Ca 0.16 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.13 1do9 n PHE 74 Cb 0.33 -0.47 -0.03 0.00 -0.94 0.00 0.00 39.48 38.37 1do9 n PHE 74 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 1do9 n ILE 75 N -2.27 0.69 -0.47 4.37 3.06 0.25 -0.59 119.36 124.39 1do9 n ILE 75 Ca -0.14 -0.12 0.06 0.00 -2.50 0.00 0.00 62.75 60.05 1do9 n ILE 75 Cb 0.71 -2.26 0.17 0.00 0.54 0.00 0.00 39.64 38.81 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 5.36 1.47 -2.26 9.51 -6.64 -0.02 -4.91 119.36 121.87 1do9 n ILE 76 Ca 0.20 -1.35 0.00 0.00 -1.77 0.00 0.00 62.75 59.83 1do9 n ILE 76 Cb 0.39 0.22 0.00 0.00 -1.44 0.00 0.00 39.64 38.81 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 -0.01 -0.13 3.31 3.28 0.00 -0.98 -4.64 105.19 106.02 1do9 n GLY 77 Ca 0.14 -1.24 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.00 0.88 0.30 1.61 -1.05 -1.26 -1.82 118.70 115.36 1do9 s GLU 78 Ca 0.00 -0.34 -0.27 0.00 -0.15 0.00 0.00 54.97 54.21 1do9 s GLU 78 Cb 0.00 0.39 -0.14 0.00 -0.44 0.00 0.00 34.13 33.94 1do9 s GLU 78 CO 0.00 -0.29 0.93 1.28 0.95 0.00 0.00 175.26 178.13 1do9 n LEU 79 N 0.63 1.48 -4.32 1.83 4.32 -1.25 -2.27 117.00 117.41 1do9 n LEU 79 Ca -0.19 1.14 -0.34 0.00 -0.02 0.00 0.00 56.01 56.60 1do9 n LEU 79 Cb 0.59 -1.25 0.10 0.00 -1.62 0.00 0.00 43.42 41.23 1do9 n LEU 79 CO 0.21 -1.65 -0.38 1.41 -1.22 0.00 0.00 177.39 175.75 1do9 n HIS 80 N 0.05 -2.33 -0.06 -1.77 8.25 -0.66 -4.76 115.22 113.94 1do9 n HIS 80 Ca 0.10 0.18 -0.14 0.00 -0.26 0.00 0.00 57.72 57.61 1do9 n HIS 80 Cb 0.33 -1.71 -0.07 0.00 1.12 0.00 0.00 29.99 29.66 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 -1.31 0.47 -0.83 -0.41 0.13 -1.91 -2.47 132.00 125.68 1do9 h PRO 81 Ca -0.44 -0.27 0.14 0.00 -0.87 0.00 0.00 66.00 64.56 1do9 h PRO 81 Cb 1.29 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.38 1do9 h PRO 81 CO 0.32 0.85 0.54 0.22 -0.23 0.00 0.00 178.00 179.71 1do9 h ASP 82 N 0.12 0.56 -1.50 1.44 1.82 -2.00 -0.50 116.42 116.37 1do9 h ASP 82 Ca 0.02 0.03 -0.69 0.00 -0.39 0.00 0.00 57.03 56.00 1do9 h ASP 82 Cb 0.79 -0.08 -0.32 0.00 0.68 0.00 0.00 39.33 40.40 1do9 h ASP 82 CO 0.05 0.30 0.51 0.47 -1.61 0.00 0.00 179.24 178.96 1do9 n ASP 83 N -4.52 6.83 0.00 2.28 8.00 -1.04 -4.37 116.55 123.73 1do9 n ASP 83 Ca 0.16 -3.80 0.00 0.00 0.71 0.00 0.00 54.79 51.86 1do9 n ASP 83 Cb 0.46 -0.86 0.00 0.00 -0.02 0.00 0.00 41.12 40.70 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 -0.66 0.33 -2.77 -1.24 0.63 -0.19 -4.48 116.66 108.28 1do9 n ARG 84 Ca 0.53 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 57.32 1do9 n ARG 84 Cb 0.51 -0.97 0.01 0.00 0.45 0.00 0.00 32.46 32.45 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 -2.40 1.81 -2.62 6.15 2.88 -1.25 -4.86 113.62 113.33 1do9 n SER 85 Ca 0.00 -2.93 -0.05 0.00 -1.33 0.00 0.00 58.87 54.56 1do9 n SER 85 Cb 0.47 -0.54 0.09 0.00 -0.75 0.00 0.00 64.21 63.48 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 -0.04 1.00 -2.71 -1.46 0.00 -1.26 -5.00 118.16 108.68 1do9 n LYS 86 Ca 0.17 -1.40 -0.07 0.00 0.00 0.00 0.00 58.31 57.01 1do9 n LYS 86 Cb 0.75 0.07 0.09 0.00 0.00 0.00 0.00 35.03 35.94 1do9 n LYS 86 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1do9 n LEU 87 N -0.76 -2.03 -3.19 3.14 -0.00 -1.26 -4.96 117.00 107.94 1do9 n LEU 87 Ca -0.10 -3.23 0.04 0.00 -0.00 0.00 0.00 56.01 52.71 1do9 n LEU 87 Cb 0.80 0.86 -0.01 0.00 -0.00 0.00 0.00 43.42 45.07 1do9 n LEU 87 CO -0.10 1.93 0.21 -0.55 -0.00 0.00 0.00 177.39 178.88 1do9 s SER 88 N -1.00 -1.29 -0.32 1.45 0.15 -1.26 -5.03 113.70 106.39 1do9 s SER 88 Ca 0.21 0.88 -0.11 0.00 0.70 0.00 0.00 55.95 57.63 1do9 s SER 88 Cb 0.30 2.11 0.01 0.00 -1.71 0.00 0.00 66.02 66.73 1do9 s SER 88 CO -0.08 -0.24 0.41 1.17 1.20 0.00 0.00 173.24 175.70 1do9 n LYS 89 N 5.43 -1.92 -1.59 5.44 0.00 -1.26 -4.98 118.16 119.29 1do9 n LYS 89 Ca -0.02 1.80 -0.32 0.00 0.00 0.00 0.00 58.31 59.76 1do9 n LYS 89 Cb 0.51 -4.68 0.06 0.00 0.00 0.00 0.00 35.03 30.93 1do9 n LYS 89 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1do9 s PRO 90 N -2.14 2.61 0.20 1.64 0.04 -1.26 -4.96 135.00 131.12 1do9 s PRO 90 Ca 0.17 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1do9 s PRO 90 Cb -0.05 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1do9 s PRO 90 CO 0.59 -1.39 0.00 -0.12 0.04 0.00 0.00 177.00 176.12 1do9 n MET 91 N -2.79 0.00 -0.89 4.56 1.56 -1.26 -5.17 117.12 113.13 1do9 n MET 91 Ca 0.10 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.53 1do9 n MET 91 Cb 0.52 -0.08 0.00 0.00 2.15 0.00 0.00 33.22 35.81 1do9 n MET 91 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1do9 n GLU 92 N -3.26 -2.48 -0.60 2.12 2.13 -1.26 -4.94 120.64 112.34 1do9 n GLU 92 Ca 0.00 1.88 -0.30 0.00 0.66 0.00 0.00 57.16 59.39 1do9 n GLU 92 Cb 0.02 -2.19 0.20 0.00 0.27 0.00 0.00 31.44 29.74 1do9 n GLU 92 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1do9 n THR 93 N -1.38 0.00 1.15 6.31 5.66 -1.26 -5.34 114.28 119.42 1do9 n THR 93 Ca 0.00 -0.21 0.09 0.00 -3.05 0.00 0.00 64.05 60.88 1do9 n THR 93 Cb 0.10 -0.94 0.55 0.00 -1.55 0.00 0.00 70.33 68.49 1do9 n THR 93 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91