#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 1.02 -3.93 -1.24 0.00 -1.26 -5.08 118.16 107.67 1do9 n LYS 2 Ca 0.00 -3.35 -0.01 0.00 0.00 0.00 0.00 58.31 54.95 1do9 n LYS 2 Cb 0.00 -1.60 0.02 0.00 0.00 0.00 0.00 35.03 33.45 1do9 n LYS 2 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1do9 n ASP 3 N 0.19 -1.55 0.00 3.14 2.03 -1.26 -5.18 116.55 113.92 1do9 n ASP 3 Ca 0.21 -1.68 0.00 0.00 0.52 0.00 0.00 54.79 53.84 1do9 n ASP 3 Cb 0.70 2.49 0.00 0.00 -0.72 0.00 0.00 41.12 43.59 1do9 n ASP 3 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1do9 n VAL 4 N -0.80 0.00 0.00 5.18 0.31 -1.26 -5.10 118.33 116.65 1do9 n VAL 4 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1do9 n VAL 4 Cb 0.59 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.52 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 1.55 -3.53 5.55 4.76 -1.26 -4.97 118.16 120.26 1do9 n LYS 5 Ca 0.00 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.24 1do9 n LYS 5 Cb 0.00 -0.77 0.02 0.00 -1.84 0.00 0.00 35.03 32.44 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 -1.50 -2.26 -1.70 2.13 4.01 -0.92 -4.91 117.16 112.00 1do9 n TYR 6 Ca 0.00 0.76 -0.31 0.00 -0.16 0.00 0.00 57.90 58.19 1do9 n TYR 6 Cb 0.27 -3.44 0.04 0.00 -0.31 0.00 0.00 39.34 35.89 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 -3.19 3.14 0.32 -0.72 2.02 0.10 -4.61 117.35 114.41 1do9 s TYR 7 Ca 0.20 1.43 0.04 0.00 -0.37 0.00 0.00 57.07 58.37 1do9 s TYR 7 Cb -0.07 -2.89 -0.02 0.00 -0.40 0.00 0.00 41.96 38.58 1do9 s TYR 7 CO 0.84 -1.15 0.48 0.95 -1.57 0.00 0.00 175.55 175.10 1do9 s THR 8 N -2.93 4.67 0.33 -0.71 -4.23 -1.26 -0.35 115.64 111.16 1do9 s THR 8 Ca 0.59 -0.81 0.05 0.00 -1.18 0.00 0.00 61.69 60.35 1do9 s THR 8 Cb -0.14 -3.66 0.30 0.00 1.34 0.00 0.00 72.50 70.34 1do9 s THR 8 CO 0.51 -0.33 1.86 -0.07 -0.54 0.00 0.00 174.62 176.06 1do9 h LEU 9 N 0.88 0.77 -0.68 4.79 -0.00 -1.95 0.63 115.31 119.75 1do9 h LEU 9 Ca -0.49 0.04 0.01 0.00 -0.00 0.00 0.00 57.88 57.45 1do9 h LEU 9 Cb 1.24 -0.12 -0.04 0.00 -0.00 0.00 0.00 40.66 41.75 1do9 h LEU 9 CO 0.58 0.41 0.44 -0.33 -0.00 0.00 0.00 178.44 179.54 1do9 h GLU 10 N 0.83 0.87 -0.57 1.13 5.08 -1.98 -0.69 114.58 119.24 1do9 h GLU 10 Ca 0.46 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.78 1do9 h GLU 10 Cb 0.58 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1do9 h GLU 10 CO -0.22 0.57 0.37 0.93 -1.00 0.00 0.00 179.01 179.66 1do9 h GLU 11 N 0.89 0.72 -0.49 2.33 4.39 -1.27 0.14 114.58 121.29 1do9 h GLU 11 Ca 0.26 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.80 1do9 h GLU 11 Cb -0.06 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.41 1do9 h GLU 11 CO -0.07 0.48 -0.15 0.82 -1.16 0.00 0.00 179.01 178.92 1do9 h ILE 12 N 0.74 1.27 0.00 3.13 2.04 -0.81 -0.34 117.51 123.54 1do9 h ILE 12 Ca 0.22 -1.29 -0.03 0.00 1.00 0.00 0.00 64.86 64.76 1do9 h ILE 12 Cb -0.04 1.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1do9 h ILE 12 CO -0.07 0.45 -0.15 0.11 0.00 0.00 0.00 178.15 178.49 1do9 h LYS 13 N 0.83 0.00 0.00 2.37 1.57 -0.80 -1.22 116.57 119.31 1do9 h LYS 13 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1do9 h LYS 13 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1do9 h LYS 13 CO 0.05 0.15 0.00 1.63 -0.57 0.00 0.00 179.45 180.71 1do9 n LYS 14 N -3.48 0.01 -3.57 3.15 5.02 0.45 -4.35 118.16 115.39 1do9 n LYS 14 Ca -0.01 0.27 -0.29 0.00 -2.02 0.00 0.00 58.31 56.26 1do9 n LYS 14 Cb 0.31 -1.52 -0.14 0.00 -0.02 0.00 0.00 35.03 33.66 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 -3.02 0.77 0.00 2.13 0.09 -0.46 -4.92 115.29 109.88 1do9 s HIS 15 Ca 0.07 -1.30 0.00 0.00 -0.00 0.00 0.00 55.06 53.82 1do9 s HIS 15 Cb 0.09 -1.12 0.00 0.00 -0.00 0.00 0.00 32.58 31.56 1do9 s HIS 15 CO 0.26 -0.84 0.73 0.27 -0.00 0.00 0.00 174.74 175.16 1do9 n ASN 16 N 4.80 0.00 -4.36 1.40 0.23 -1.16 -2.06 115.26 114.11 1do9 n ASN 16 Ca -0.00 -1.49 -0.23 0.00 -0.53 0.00 0.00 54.58 52.33 1do9 n ASN 16 Cb 0.40 -0.10 -0.10 0.00 -2.08 0.00 0.00 39.78 37.91 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 1.88 -1.11 -2.53 -3.43 -1.26 -4.79 115.29 104.05 1do9 s HIS 17 Ca 0.00 -1.07 -0.26 0.00 -0.80 0.00 0.00 55.06 52.94 1do9 s HIS 17 Cb 0.00 -1.23 -0.19 0.00 -1.43 0.00 0.00 32.58 29.72 1do9 s HIS 17 CO 0.00 -0.10 2.07 -1.12 -2.00 0.00 0.00 174.74 173.60 1do9 s SER 18 N -3.52 3.80 0.00 7.38 0.01 -1.26 -1.99 113.70 118.12 1do9 s SER 18 Ca 0.32 -1.16 0.00 0.00 1.31 0.00 0.00 55.95 56.42 1do9 s SER 18 Cb 0.07 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1do9 s SER 18 CO 0.15 -4.38 0.00 1.17 0.41 0.00 0.00 173.24 170.59 1do9 n LYS 19 N 8.19 0.00 -2.91 12.44 3.00 -1.26 -5.01 118.16 132.61 1do9 n LYS 19 Ca 0.42 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.60 1do9 n LYS 19 Cb 0.47 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.51 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 -2.07 -1.67 -4.57 3.14 7.64 -0.84 -4.92 113.62 110.32 1do9 n SER 20 Ca 0.00 -3.14 -0.14 0.00 1.01 0.00 0.00 58.87 56.59 1do9 n SER 20 Cb 0.00 0.93 -0.10 0.00 -1.01 0.00 0.00 64.21 64.03 1do9 n SER 20 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1do9 s THR 21 N -0.12 3.03 0.71 0.44 2.01 -1.09 -2.99 115.64 117.63 1do9 s THR 21 Ca 0.32 -0.04 -0.06 0.00 0.31 0.00 0.00 61.69 62.22 1do9 s THR 21 Cb 0.23 -3.72 0.08 0.00 0.01 0.00 0.00 72.50 69.09 1do9 s THR 21 CO -0.17 -0.06 1.02 0.26 -0.69 0.00 0.00 174.62 174.98 1do9 s TRP 22 N 16.37 2.69 0.05 4.92 0.52 -0.88 -0.37 118.94 142.24 1do9 s TRP 22 Ca 0.85 0.33 -0.28 0.00 0.02 0.00 0.00 56.10 57.02 1do9 s TRP 22 Cb -0.07 -3.22 0.09 0.00 -1.15 0.00 0.00 33.47 29.12 1do9 s TRP 22 CO 0.15 -1.50 1.01 -0.48 0.02 0.00 0.00 176.95 176.16 1do9 s LEU 23 N -5.25 -0.21 -0.30 2.99 0.05 -0.77 -0.86 118.68 114.32 1do9 s LEU 23 Ca 0.62 -0.20 -0.05 0.00 0.05 0.00 0.00 54.13 54.55 1do9 s LEU 23 Cb -0.10 1.92 0.03 0.00 -2.05 0.00 0.00 46.19 45.99 1do9 s LEU 23 CO 0.45 -0.66 0.05 -0.63 -0.55 0.00 0.00 176.35 175.01 1do9 s ILE 24 N -3.01 3.53 -0.26 1.48 -1.09 -0.35 -1.99 121.20 119.50 1do9 s ILE 24 Ca 0.10 -1.02 0.02 0.00 -2.23 0.00 0.00 60.65 57.52 1do9 s ILE 24 Cb -0.00 -2.91 0.05 0.00 -1.58 0.00 0.00 42.46 38.02 1do9 s ILE 24 CO -0.03 -0.01 -0.10 -0.76 -1.23 0.00 0.00 174.94 172.81 1do9 s LEU 25 N 1.39 3.39 -0.67 2.97 1.43 -1.04 -1.82 118.68 124.33 1do9 s LEU 25 Ca -0.01 -1.30 -0.05 0.00 -1.03 0.00 0.00 54.13 51.75 1do9 s LEU 25 Cb -0.18 -1.57 0.01 0.00 0.03 0.00 0.00 46.19 44.47 1do9 s LEU 25 CO 0.01 -0.18 0.67 1.41 0.23 0.00 0.00 176.35 178.48 1do9 n HIS 26 N 4.48 -2.99 -3.75 0.29 8.25 -1.26 -3.04 115.22 117.20 1do9 n HIS 26 Ca -0.15 1.17 -0.22 0.00 -0.26 0.00 0.00 57.72 58.26 1do9 n HIS 26 Cb 0.43 -3.88 -0.06 0.00 1.12 0.00 0.00 29.99 27.59 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 -1.48 -0.86 -3.78 4.41 8.25 -1.26 -4.94 115.22 115.56 1do9 n HIS 27 Ca -0.01 0.39 -0.11 0.00 -0.26 0.00 0.00 57.72 57.73 1do9 n HIS 27 Cb 0.52 -1.90 -0.07 0.00 1.12 0.00 0.00 29.99 29.66 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 -6.03 0.82 -0.30 -0.41 3.01 -1.17 -4.61 119.74 111.05 1do9 s LYS 28 Ca 0.02 -0.64 -0.03 0.00 -1.01 0.00 0.00 55.97 54.31 1do9 s LYS 28 Cb -0.01 0.35 0.04 0.00 -1.01 0.00 0.00 37.83 37.20 1do9 s LYS 28 CO 0.68 -0.27 0.02 0.08 0.51 0.00 0.00 175.35 176.37 1do9 s VAL 29 N -2.96 3.17 0.22 3.17 1.01 -0.80 -2.49 120.40 121.72 1do9 s VAL 29 Ca -0.02 -1.26 0.06 0.00 0.00 0.00 0.00 61.98 60.76 1do9 s VAL 29 Cb 0.01 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 1do9 s VAL 29 CO -0.06 -0.07 0.18 -0.31 0.00 0.00 0.00 175.10 174.84 1do9 s TYR 30 N 1.30 3.15 -0.49 5.22 2.02 -0.84 -1.53 117.35 126.19 1do9 s TYR 30 Ca -0.04 -0.06 0.04 0.00 -0.37 0.00 0.00 57.07 56.64 1do9 s TYR 30 Cb -0.19 -1.46 0.13 0.00 -0.40 0.00 0.00 41.96 40.04 1do9 s TYR 30 CO -0.01 0.52 0.23 0.34 -1.57 0.00 0.00 175.55 175.06 1do9 s ASP 31 N -3.55 4.28 -0.13 2.29 2.15 0.23 -1.85 116.67 120.09 1do9 s ASP 31 Ca 0.32 -2.86 0.02 0.00 0.43 0.00 0.00 52.55 50.47 1do9 s ASP 31 Cb -0.09 -1.56 0.22 0.00 -0.30 0.00 0.00 42.92 41.20 1do9 s ASP 31 CO 0.25 -0.25 1.19 0.18 -0.17 0.00 0.00 175.17 176.36 1do9 n LEU 32 N 3.31 3.77 0.17 -1.34 4.77 0.50 -4.29 117.00 123.88 1do9 n LEU 32 Ca 0.05 -1.94 -0.11 0.00 -0.03 0.00 0.00 56.01 53.97 1do9 n LEU 32 Cb 0.34 -0.60 -0.07 0.00 -2.33 0.00 0.00 43.42 40.76 1do9 n LEU 32 CO 0.31 0.60 0.39 0.00 -1.33 0.00 0.00 177.39 177.36 1do9 h THR 33 N 0.55 0.43 0.00 -5.08 1.03 -1.91 -1.13 112.91 106.80 1do9 h THR 33 Ca 0.15 -0.69 0.00 0.00 -0.01 0.00 0.00 66.41 65.86 1do9 h THR 33 Cb 1.44 0.67 0.00 0.00 -1.07 0.00 0.00 68.15 69.19 1do9 h THR 33 CO 0.30 0.09 0.00 2.29 -0.01 0.00 0.00 175.52 178.19 1do9 n LYS 34 N -5.12 0.02 0.00 0.00 -0.00 -1.26 -2.09 118.16 109.71 1do9 n LYS 34 Ca -0.09 0.23 0.09 0.00 -0.00 0.00 0.00 58.31 58.54 1do9 n LYS 34 Cb 0.27 -1.50 -0.08 0.00 -0.00 0.00 0.00 35.03 33.72 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 -1.48 0.00 0.00 5.58 7.35 -1.17 -4.38 117.46 123.36 1do9 n PHE 35 Ca 0.04 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.73 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 -1.13 0.00 -0.39 -2.13 4.77 -0.44 -0.02 117.00 117.66 1do9 n LEU 36 Ca 0.04 0.98 0.00 0.00 -0.03 0.00 0.00 56.01 57.00 1do9 n LEU 36 Cb 0.30 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1do9 n LEU 36 CO 0.33 -0.48 0.28 -1.84 -1.33 0.00 0.00 177.39 174.36 1do9 n GLU 37 N -2.49 0.92 0.00 3.23 0.00 -1.26 -2.91 120.64 118.13 1do9 n GLU 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1do9 n GLU 37 Cb 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 31.44 30.08 1do9 n GLU 37 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1do9 n GLU 38 N -0.08 -0.19 -2.87 3.44 1.02 -0.64 -5.05 120.64 116.27 1do9 n GLU 38 Ca 0.00 -0.29 -0.42 0.00 -0.02 0.00 0.00 57.16 56.43 1do9 n GLU 38 Cb 0.18 -0.78 -0.04 0.00 -0.02 0.00 0.00 31.44 30.78 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 -0.06 3.30 -1.07 -0.32 2.46 0.97 -4.96 115.29 115.61 1do9 s HIS 39 Ca 0.00 1.14 -0.23 0.00 0.47 0.00 0.00 55.06 56.44 1do9 s HIS 39 Cb 0.00 -3.11 -0.03 0.00 -0.13 0.00 0.00 32.58 29.32 1do9 s HIS 39 CO 0.00 -0.44 1.83 -1.25 -2.47 0.00 0.00 174.74 172.42 1do9 s PRO 40 N 2.91 2.90 0.00 2.88 0.04 -1.26 -3.44 135.00 139.04 1do9 s PRO 40 Ca 0.36 -0.95 0.00 0.00 0.04 0.00 0.00 61.00 60.45 1do9 s PRO 40 Cb -0.15 -5.24 0.00 0.00 0.04 0.00 0.00 34.50 29.15 1do9 s PRO 40 CO 0.08 -3.23 0.00 0.41 0.04 0.00 0.00 177.00 174.30 1do9 n GLY 41 N 6.32 0.18 1.12 0.56 0.00 -1.26 -5.13 105.19 106.98 1do9 n GLY 41 Ca 0.42 0.19 -0.04 0.00 0.00 0.00 0.00 46.02 46.58 1do9 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1do9 n GLY 42 N 0.00 2.39 0.24 -0.02 0.00 -1.22 -5.08 105.19 101.50 1do9 n GLY 42 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1do9 n GLY 42 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1do9 n GLU 43 N -0.18 0.00 -0.02 1.61 0.28 -1.26 -4.27 120.64 116.79 1do9 n GLU 43 Ca -0.01 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.96 1do9 n GLU 43 Cb 0.19 -0.48 0.22 0.00 1.43 0.00 0.00 31.44 32.79 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 0.58 -0.70 3.44 4.81 -1.98 -0.26 114.58 120.47 1do9 h GLU 44 Ca 0.00 -0.17 0.13 0.00 -0.13 0.00 0.00 59.36 59.18 1do9 h GLU 44 Cb 0.09 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.37 1do9 h GLU 44 CO 0.00 0.69 0.47 -0.39 -0.73 0.00 0.00 179.01 179.05 1do9 h VAL 45 N 0.53 0.84 -0.10 0.32 -1.51 -1.99 0.31 116.25 114.66 1do9 h VAL 45 Ca 0.10 -0.15 -0.07 0.00 -1.23 0.00 0.00 66.70 65.35 1do9 h VAL 45 Cb 0.52 0.37 -0.01 0.00 -2.13 0.00 0.00 31.29 30.03 1do9 h VAL 45 CO 0.03 0.08 -0.24 -0.07 -1.23 0.00 0.00 177.57 176.14 1do9 h LEU 46 N 0.44 0.17 -0.00 4.19 3.38 -1.38 -2.52 115.31 119.58 1do9 h LEU 46 Ca 0.34 -0.04 -0.22 0.00 0.09 0.00 0.00 57.88 58.05 1do9 h LEU 46 Cb 0.71 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 1do9 h LEU 46 CO -0.11 0.41 -1.02 -0.09 0.09 0.00 0.00 178.44 177.73 1do9 h ARG 47 N 0.16 0.03 0.00 1.13 2.43 -0.49 -1.48 114.38 116.16 1do9 h ARG 47 Ca 0.03 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1do9 h ARG 47 Cb 0.51 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1do9 h ARG 47 CO 0.04 1.02 -0.03 0.93 -1.51 0.00 0.00 179.97 180.41 1do9 h GLU 48 N 0.01 0.00 -0.01 0.20 4.39 -0.48 -2.33 114.58 116.36 1do9 h GLU 48 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1do9 h GLU 48 Cb 1.78 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.43 1do9 h GLU 48 CO 0.14 0.03 0.00 1.04 -1.16 0.00 0.00 179.01 179.06 1do9 n GLN 49 N -3.16 0.65 -1.85 2.33 1.13 -1.08 -5.03 117.38 110.38 1do9 n GLN 49 Ca -0.00 -0.95 -0.37 0.00 -1.94 0.00 0.00 57.00 53.74 1do9 n GLN 49 Cb 0.27 -1.02 0.05 0.00 0.11 0.00 0.00 30.24 29.65 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 -0.44 2.52 -1.88 -1.58 0.00 -0.56 -2.00 121.76 117.83 1do9 s ALA 50 Ca 0.01 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.14 1do9 s ALA 50 Cb 0.01 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1do9 s ALA 50 CO 0.01 -1.40 0.00 0.41 0.00 0.00 0.00 175.76 174.78 1do9 n GLY 51 N 0.74 1.40 3.38 0.00 0.00 -0.04 -4.87 105.19 105.80 1do9 n GLY 51 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.43 1.74 3.57 -0.02 0.00 -0.85 -4.21 105.19 104.99 1do9 n GLY 52 Ca -0.19 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 1do9 n GLY 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1do9 s ASP 53 N -3.06 6.43 0.00 1.61 1.11 -1.26 -1.22 116.67 120.29 1do9 s ASP 53 Ca 0.23 0.01 0.24 0.00 0.18 0.00 0.00 52.55 53.22 1do9 s ASP 53 Cb -0.02 -2.52 0.37 0.00 1.07 0.00 0.00 42.92 41.82 1do9 s ASP 53 CO 0.17 -1.39 1.32 0.00 1.18 0.00 0.00 175.17 176.45 1do9 n ALA 54 N 8.11 3.36 -0.14 5.23 0.00 -0.76 -4.43 120.51 131.88 1do9 n ALA 54 Ca 0.07 -0.52 0.08 0.00 0.00 0.00 0.00 53.44 53.07 1do9 n ALA 54 Cb 0.49 -0.96 0.40 0.00 0.00 0.00 0.00 19.45 19.38 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 1.74 0.98 -0.28 0.00 2.02 -1.89 -0.78 112.91 114.70 1do9 h THR 55 Ca 0.00 -0.22 0.07 0.00 0.77 0.00 0.00 66.41 67.03 1do9 h THR 55 Cb 0.62 0.29 -0.07 0.00 -1.74 0.00 0.00 68.15 67.25 1do9 h THR 55 CO 0.00 0.12 -0.20 -0.33 0.37 0.00 0.00 175.52 175.47 1do9 h GLU 56 N 0.63 -0.18 0.06 6.66 4.39 -1.93 -0.85 114.58 123.36 1do9 h GLU 56 Ca 0.30 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.01 1do9 h GLU 56 Cb 0.35 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1do9 h GLU 56 CO -0.10 -0.12 -0.03 -0.91 -1.16 0.00 0.00 179.01 176.70 1do9 h ASN 57 N -0.18 -0.06 -0.97 1.42 4.21 -1.50 0.16 115.58 118.65 1do9 h ASN 57 Ca 0.15 -0.39 0.31 0.00 1.21 0.00 0.00 56.30 57.58 1do9 h ASN 57 Cb 0.41 0.02 -0.15 0.00 -1.12 0.00 0.00 38.32 37.48 1do9 h ASN 57 CO -0.39 0.36 0.47 0.15 -1.29 0.00 0.00 177.43 176.73 1do9 h PHE 58 N -0.51 0.75 0.08 1.19 3.04 -1.11 -1.13 116.94 119.26 1do9 h PHE 58 Ca -0.01 0.04 -0.29 0.00 3.98 0.00 0.00 57.97 61.69 1do9 h PHE 58 Cb 0.45 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 38.77 1do9 h PHE 58 CO 0.07 -0.22 -1.50 0.93 -2.02 0.00 0.00 178.31 175.57 1do9 h GLU 59 N 0.26 0.16 -0.83 1.11 4.39 -1.03 -0.09 114.58 118.55 1do9 h GLU 59 Ca 0.70 -0.28 0.06 0.00 0.34 0.00 0.00 59.36 60.18 1do9 h GLU 59 Cb 1.58 0.10 -0.06 0.00 -0.10 0.00 0.00 28.75 30.27 1do9 h GLU 59 CO -0.64 0.98 0.51 0.22 -1.16 0.00 0.00 179.01 178.92 1do9 h ASP 60 N 0.04 0.80 0.70 1.42 1.82 0.22 -1.38 116.42 120.05 1do9 h ASP 60 Ca -0.22 0.02 -0.25 0.00 -0.39 0.00 0.00 57.03 56.19 1do9 h ASP 60 Cb 1.98 -0.15 -0.04 0.00 0.68 0.00 0.00 39.33 41.79 1do9 h ASP 60 CO 0.14 0.51 -1.42 0.58 -1.61 0.00 0.00 179.24 177.44 1do9 h VAL 61 N 0.94 1.12 0.00 2.25 2.07 -1.42 -3.48 116.25 117.72 1do9 h VAL 61 Ca 0.36 -2.90 0.00 0.00 0.82 0.00 0.00 66.70 64.99 1do9 h VAL 61 Cb 0.17 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1do9 h VAL 61 CO -0.17 0.64 0.00 0.61 0.02 0.00 0.00 177.57 178.67 1do9 n GLY 62 N 1.47 3.05 1.00 2.17 0.00 -0.05 -4.96 105.19 107.87 1do9 n GLY 62 Ca -0.10 -0.85 0.13 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.45 -4.55 1.61 8.25 -1.20 -4.72 115.22 112.16 1do9 n HIS 63 Ca 0.00 1.23 -0.29 0.00 -0.26 0.00 0.00 57.72 58.40 1do9 n HIS 63 Cb 0.00 -2.23 -0.09 0.00 1.12 0.00 0.00 29.99 28.80 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 -5.24 4.08 0.47 0.41 1.04 -1.26 -5.04 113.70 108.17 1do9 s SER 64 Ca 0.00 -1.41 0.21 0.00 0.48 0.00 0.00 55.95 55.24 1do9 s SER 64 Cb 0.00 -0.08 1.18 0.00 0.10 0.00 0.00 66.02 67.22 1do9 s SER 64 CO 0.00 -0.63 2.00 0.74 0.98 0.00 0.00 173.24 176.33 1do9 h THR 65 N 1.53 0.83 -0.90 2.02 2.02 -1.98 -1.74 112.91 114.69 1do9 h THR 65 Ca -0.43 -0.72 0.07 0.00 0.77 0.00 0.00 66.41 66.10 1do9 h THR 65 Cb 1.27 1.43 -0.06 0.00 -1.74 0.00 0.00 68.15 69.05 1do9 h THR 65 CO 0.76 0.18 0.58 0.44 0.37 0.00 0.00 175.52 177.86 1do9 h ASP 66 N 0.00 0.88 0.04 4.18 3.32 -1.99 0.00 116.42 122.85 1do9 h ASP 66 Ca -0.00 0.01 -0.28 0.00 0.02 0.00 0.00 57.03 56.78 1do9 h ASP 66 Cb 0.41 -0.18 0.02 0.00 0.22 0.00 0.00 39.33 39.81 1do9 h ASP 66 CO 0.02 0.56 -1.11 0.00 -1.72 0.00 0.00 179.24 176.99 1do9 h ALA 67 N 1.52 0.09 -0.80 3.45 0.00 -1.80 -2.56 119.26 119.16 1do9 h ALA 67 Ca 0.39 -0.72 0.21 0.00 0.00 0.00 0.00 54.91 54.79 1do9 h ALA 67 Cb 0.24 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1do9 h ALA 67 CO -0.15 0.69 0.56 -0.09 0.00 0.00 0.00 179.25 180.26 1do9 h ARG 68 N 0.36 0.11 0.04 0.00 9.65 -0.21 -2.78 114.38 121.55 1do9 h ARG 68 Ca -0.15 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.72 1do9 h ARG 68 Cb 1.77 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 30.33 1do9 h ARG 68 CO 0.22 0.08 -0.02 0.93 2.80 0.00 0.00 179.97 183.97 1do9 h GLU 69 N 0.12 -0.05 -0.72 0.20 5.08 -1.05 -3.34 114.58 114.81 1do9 h GLU 69 Ca 0.39 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.93 1do9 h GLU 69 Cb 1.36 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.58 1do9 h GLU 69 CO -0.05 0.50 0.50 -0.07 -1.00 0.00 0.00 179.01 178.89 1do9 h LEU 70 N -0.95 0.21 -0.83 1.33 -0.00 -1.21 0.33 115.31 114.18 1do9 h LEU 70 Ca -0.01 0.01 0.15 0.00 -0.00 0.00 0.00 57.88 58.04 1do9 h LEU 70 Cb 0.58 -0.03 -0.09 0.00 -0.00 0.00 0.00 40.66 41.12 1do9 h LEU 70 CO 0.01 0.10 0.42 0.28 -0.00 0.00 0.00 178.44 179.25 1do9 h SER 71 N 0.22 0.49 -0.58 -0.43 0.02 -1.62 -0.21 113.55 111.44 1do9 h SER 71 Ca 0.35 0.10 0.08 0.00 -0.84 0.00 0.00 61.79 61.48 1do9 h SER 71 Cb 1.07 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.60 1do9 h SER 71 CO -0.07 0.20 0.39 0.50 -1.14 0.00 0.00 176.83 176.71 1do9 h LYS 72 N 0.59 0.43 -0.00 3.45 3.11 -0.46 0.37 116.57 124.06 1do9 h LYS 72 Ca 0.46 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 58.27 1do9 h LYS 72 Cb 0.66 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.79 1do9 h LYS 72 CO -0.37 0.29 -0.12 -2.37 -2.81 0.00 0.00 179.45 174.06 1do9 n THR 73 N -4.47 0.00 0.72 1.00 5.66 -0.14 -3.44 114.28 113.60 1do9 n THR 73 Ca 0.09 -0.01 0.08 0.00 -3.05 0.00 0.00 64.05 61.15 1do9 n THR 73 Cb 0.32 -0.26 -0.09 0.00 -1.55 0.00 0.00 70.33 68.75 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 -1.35 0.00 -1.92 1.09 3.72 0.61 -4.95 117.46 114.66 1do9 n PHE 74 Ca 0.09 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.07 1do9 n PHE 74 Cb 0.31 -0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 38.80 1do9 n PHE 74 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 1do9 s ILE 75 N -2.56 3.35 -1.44 4.37 2.07 0.97 -0.60 121.20 127.37 1do9 s ILE 75 Ca 0.05 0.52 0.16 0.00 -1.41 0.00 0.00 60.65 59.98 1do9 s ILE 75 Cb 0.12 -3.34 -0.01 0.00 0.13 0.00 0.00 42.46 39.36 1do9 s ILE 75 CO 0.66 -0.04 0.85 2.30 -1.91 0.00 0.00 174.94 176.81 1do9 n ILE 76 N 5.33 0.00 -3.85 2.00 -6.64 -0.58 -4.92 119.36 110.70 1do9 n ILE 76 Ca 0.17 -0.32 0.00 0.00 -1.77 0.00 0.00 62.75 60.83 1do9 n ILE 76 Cb 0.42 1.18 0.00 0.00 -1.44 0.00 0.00 39.64 39.80 1do9 n ILE 76 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1do9 n GLY 77 N 1.16 -0.50 3.18 3.28 0.00 -1.15 -4.76 105.19 106.41 1do9 n GLY 77 Ca 0.06 -1.05 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.73 0.87 0.44 1.61 2.12 -1.26 -1.91 118.70 118.83 1do9 s GLU 78 Ca 0.00 -1.33 0.02 0.00 0.36 0.00 0.00 54.97 54.01 1do9 s GLU 78 Cb 0.00 -0.30 -0.00 0.00 0.26 0.00 0.00 34.13 34.09 1do9 s GLU 78 CO 0.00 0.01 0.64 -0.48 -0.54 0.00 0.00 175.26 174.89 1do9 s LEU 79 N -3.00 3.68 -0.54 2.70 2.34 -1.26 -0.72 118.68 121.88 1do9 s LEU 79 Ca 0.12 0.17 -0.33 0.00 0.06 0.00 0.00 54.13 54.16 1do9 s LEU 79 Cb 0.04 -3.06 -0.13 0.00 -0.56 0.00 0.00 46.19 42.47 1do9 s LEU 79 CO -0.03 -0.68 2.36 1.41 -1.06 0.00 0.00 176.35 178.34 1do9 n HIS 80 N -2.02 1.30 0.35 3.48 8.25 0.53 -4.73 115.22 122.38 1do9 n HIS 80 Ca 0.02 0.29 0.14 0.00 -0.26 0.00 0.00 57.72 57.91 1do9 n HIS 80 Cb 0.58 -2.51 0.46 0.00 1.12 0.00 0.00 29.99 29.64 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 13.74 0.00 0.00 -0.41 0.13 -1.94 -1.65 132.00 141.87 1do9 h PRO 81 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1do9 h PRO 81 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1do9 h PRO 81 CO 1.14 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 178.47 1do9 h ASP 82 N 0.00 0.00 -0.41 1.44 3.32 -2.01 -3.10 116.42 115.67 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 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1do9 h ASP 82 CO 0.00 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.99 1do9 n ASP 83 N -2.48 4.41 -0.09 6.45 8.00 -0.62 -4.28 116.55 127.94 1do9 n ASP 83 Ca 0.03 -2.81 0.12 0.00 0.71 0.00 0.00 54.79 52.84 1do9 n ASP 83 Cb 0.36 -0.56 0.18 0.00 -0.02 0.00 0.00 41.12 41.08 1do9 n ASP 83 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1do9 n ARG 84 N 0.12 0.27 -0.91 -1.24 -4.01 -1.17 -3.94 116.66 105.78 1do9 n ARG 84 Ca 0.23 -0.18 -0.00 0.00 -1.04 0.00 0.00 57.85 56.86 1do9 n ARG 84 Cb 0.93 -1.50 -0.01 0.00 -3.04 0.00 0.00 32.46 28.84 1do9 n ARG 84 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 1do9 n SER 85 N -1.21 0.10 0.20 2.89 2.88 -1.26 -4.96 113.62 112.26 1do9 n SER 85 Ca 0.07 -1.80 0.00 0.00 -1.33 0.00 0.00 58.87 55.81 1do9 n SER 85 Cb 0.35 -0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 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 0.15 0.00 -0.61 -1.46 4.81 -1.26 -5.17 118.16 114.62 1do9 n LYS 86 Ca -0.04 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.48 1do9 n LYS 86 Cb 0.80 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.83 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 -3.45 0.00 0.00 3.14 4.32 -1.25 -4.89 117.00 114.87 1do9 n LEU 87 Ca 0.00 0.66 0.00 0.00 -0.02 0.00 0.00 56.01 56.65 1do9 n LEU 87 Cb 0.00 -1.88 0.00 0.00 -1.62 0.00 0.00 43.42 39.92 1do9 n LEU 87 CO 0.00 -1.85 0.00 -1.20 -1.22 0.00 0.00 177.39 173.12 1do9 n SER 88 N -3.73 0.00 -4.01 -1.43 7.64 -1.26 -4.83 113.62 106.00 1do9 n SER 88 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.52 1do9 n SER 88 Cb 0.28 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.49 1do9 n SER 88 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1do9 n LYS 89 N 7.56 -0.40 -1.07 1.43 0.00 -1.26 -4.89 118.16 119.52 1do9 n LYS 89 Ca 0.00 -0.08 -0.30 0.00 0.00 0.00 0.00 58.31 57.93 1do9 n LYS 89 Cb 0.00 -1.68 0.24 0.00 0.00 0.00 0.00 35.03 33.59 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 -6.93 -1.34 -0.28 1.64 0.04 -1.26 -5.07 135.00 121.80 1do9 s PRO 90 Ca 0.37 -0.10 0.01 0.00 0.04 0.00 0.00 61.00 61.32 1do9 s PRO 90 Cb -0.21 -1.59 0.16 0.00 0.04 0.00 0.00 34.50 32.90 1do9 s PRO 90 CO 0.75 -3.78 0.44 1.41 0.04 0.00 0.00 177.00 175.86 1do9 s MET 91 N -5.43 0.42 -0.09 4.56 1.75 -1.26 -5.14 119.30 114.12 1do9 s MET 91 Ca 0.71 0.39 -0.05 0.00 -1.25 0.00 0.00 55.69 55.49 1do9 s MET 91 Cb -0.09 -0.22 0.04 0.00 2.84 0.00 0.00 34.83 37.40 1do9 s MET 91 CO 0.56 -0.87 0.20 -2.00 -0.65 0.00 0.00 175.02 172.26 1do9 s GLU 92 N 2.60 0.17 0.02 4.11 2.56 -1.26 -5.16 118.70 121.75 1do9 s GLU 92 Ca 0.12 0.43 -0.07 0.00 0.00 0.00 0.00 54.97 55.45 1do9 s GLU 92 Cb -0.13 -0.10 -0.00 0.00 2.00 0.00 0.00 34.13 35.89 1do9 s GLU 92 CO -0.24 -0.14 0.12 0.99 -0.56 0.00 0.00 175.26 175.43 1do9 s THR 93 N 1.02 0.11 -2.00 -1.70 2.01 -1.26 -5.33 115.64 108.48 1do9 s THR 93 Ca -0.08 -0.89 0.13 0.00 0.31 0.00 0.00 61.69 61.17 1do9 s THR 93 Cb -0.09 -0.67 0.37 0.00 0.01 0.00 0.00 72.50 72.12 1do9 s THR 93 CO -0.06 -0.49 1.20 -0.11 -0.69 0.00 0.00 174.62 174.47