#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 -1.98 -2.10 0.11 4.81 -1.26 -4.47 118.16 113.28 1do9 n LYS 2 Ca 0.00 1.57 -0.38 0.00 -0.87 0.00 0.00 58.31 58.63 1do9 n LYS 2 Cb 0.00 -2.33 -0.03 0.00 0.02 0.00 0.00 35.03 32.69 1do9 n LYS 2 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1do9 n ASP 3 N -3.49 3.87 -3.46 3.14 9.92 -1.26 -4.79 116.55 120.47 1do9 n ASP 3 Ca -0.05 -2.81 -0.28 0.00 -0.53 0.00 0.00 54.79 51.13 1do9 n ASP 3 Cb 0.41 -1.65 -0.12 0.00 -0.64 0.00 0.00 41.12 39.13 1do9 n ASP 3 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1do9 s VAL 4 N 6.32 0.07 -0.52 2.53 1.01 -1.26 -4.23 120.40 124.32 1do9 s VAL 4 Ca 0.58 -1.55 0.04 0.00 0.00 0.00 0.00 61.98 61.05 1do9 s VAL 4 Cb 0.05 -1.06 0.28 0.00 0.00 0.00 0.00 36.38 35.65 1do9 s VAL 4 CO 0.08 -0.93 1.10 1.17 0.00 0.00 0.00 175.10 176.51 1do9 n LYS 5 N 4.19 2.08 -0.66 2.72 4.81 -1.14 -4.82 118.16 125.35 1do9 n LYS 5 Ca 0.10 -1.14 0.00 0.00 -0.87 0.00 0.00 58.31 56.40 1do9 n LYS 5 Cb 0.38 -1.66 0.00 0.00 0.02 0.00 0.00 35.03 33.78 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 0.11 0.00 -4.05 5.64 4.01 -1.26 -4.84 117.16 116.77 1do9 n TYR 6 Ca 0.14 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.67 1do9 n TYR 6 Cb 0.72 -0.09 -0.03 0.00 -0.31 0.00 0.00 39.34 39.63 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 -0.07 3.27 0.46 -0.72 2.02 -0.58 -4.78 117.35 116.93 1do9 s TYR 7 Ca 0.00 -0.06 0.01 0.00 -0.37 0.00 0.00 57.07 56.65 1do9 s TYR 7 Cb 0.00 -1.48 0.00 0.00 -0.40 0.00 0.00 41.96 40.08 1do9 s TYR 7 CO 0.00 0.49 0.67 0.95 -1.57 0.00 0.00 175.55 176.09 1do9 s THR 8 N -2.05 3.77 0.07 -0.71 -4.23 -1.26 -2.17 115.64 109.06 1do9 s THR 8 Ca 0.33 -0.57 -0.19 0.00 -1.18 0.00 0.00 61.69 60.08 1do9 s THR 8 Cb -0.08 -3.39 -0.10 0.00 1.34 0.00 0.00 72.50 70.26 1do9 s THR 8 CO 0.27 -0.26 1.48 -0.07 -0.54 0.00 0.00 174.62 175.49 1do9 h LEU 9 N 0.39 0.38 -2.55 4.79 -0.00 -1.98 -1.85 115.31 114.50 1do9 h LEU 9 Ca -0.45 -0.35 0.01 0.00 -0.00 0.00 0.00 57.88 57.09 1do9 h LEU 9 Cb 1.26 -0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 41.81 1do9 h LEU 9 CO 0.56 0.64 0.12 -0.33 -0.00 0.00 0.00 178.44 179.43 1do9 h GLU 10 N 0.12 0.00 0.04 1.13 5.08 -1.95 -1.36 114.58 117.64 1do9 h GLU 10 Ca 0.05 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 1do9 h GLU 10 Cb 0.46 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1do9 h GLU 10 CO 0.02 0.00 -0.57 1.49 -1.00 0.00 0.00 179.01 178.95 1do9 h GLU 11 N 0.00 0.08 -0.94 2.33 4.57 -1.78 -3.33 114.58 115.50 1do9 h GLU 11 Ca 0.02 -0.13 0.02 0.00 -1.18 0.00 0.00 59.36 58.08 1do9 h GLU 11 Cb 0.27 0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.86 1do9 h GLU 11 CO -0.00 1.06 0.62 0.82 -1.18 0.00 0.00 179.01 180.34 1do9 h ILE 12 N -0.82 1.22 0.00 2.32 2.04 -0.52 0.14 117.51 121.90 1do9 h ILE 12 Ca -0.13 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.29 1do9 h ILE 12 Cb 1.26 -0.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1do9 h ILE 12 CO -0.02 0.23 0.00 2.29 0.00 0.00 0.00 178.15 180.65 1do9 n LYS 13 N -4.44 0.95 0.00 2.37 2.85 -0.61 -3.03 118.16 116.25 1do9 n LYS 13 Ca 0.11 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.37 1do9 n LYS 13 Cb 0.03 -1.15 0.00 0.00 -0.65 0.00 0.00 35.03 33.26 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 0.39 2.66 -1.24 -1.58 3.00 0.48 -4.78 118.16 117.10 1do9 n LYS 14 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.09 1do9 n LYS 14 Cb 0.41 -0.84 -0.03 0.00 0.00 0.00 0.00 35.03 34.58 1do9 n LYS 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1do9 n HIS 15 N -1.49 1.50 -3.54 5.64 8.25 -1.09 -4.63 115.22 119.85 1do9 n HIS 15 Ca 0.00 -1.93 -0.28 0.00 -0.26 0.00 0.00 57.72 55.25 1do9 n HIS 15 Cb 0.32 -1.23 -0.09 0.00 1.12 0.00 0.00 29.99 30.11 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 0.75 3.64 -1.97 0.41 6.94 -1.23 -2.23 115.26 121.57 1do9 n ASN 16 Ca 0.41 -3.38 -0.02 0.00 -0.02 0.00 0.00 54.58 51.57 1do9 n ASN 16 Cb 0.58 -0.71 -0.01 0.00 -2.36 0.00 0.00 39.78 37.29 1do9 n ASN 16 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1do9 n HIS 17 N 1.16 0.06 -0.34 -2.53 8.25 0.17 -5.01 115.22 116.98 1do9 n HIS 17 Ca 0.27 -0.21 0.16 0.00 -0.26 0.00 0.00 57.72 57.68 1do9 n HIS 17 Cb 0.39 -0.02 0.36 0.00 1.12 0.00 0.00 29.99 31.85 1do9 n HIS 17 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1do9 h SER 18 N 0.12 0.63 0.00 0.41 4.64 -2.01 -3.36 113.55 113.98 1do9 h SER 18 Ca -0.03 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1do9 h SER 18 Cb 0.10 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1do9 h SER 18 CO 0.05 0.10 0.00 1.17 -0.87 0.00 0.00 176.83 177.28 1do9 n LYS 19 N -4.90 0.00 -1.46 4.77 4.81 -1.26 -4.95 118.16 115.16 1do9 n LYS 19 Ca 0.26 0.00 -0.63 0.00 -0.87 0.00 0.00 58.31 57.06 1do9 n LYS 19 Cb 0.71 -0.29 -0.11 0.00 0.02 0.00 0.00 35.03 35.36 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 -2.41 0.94 -3.32 3.14 7.64 -1.26 -4.39 113.62 113.96 1do9 n SER 20 Ca 0.00 0.90 -0.17 0.00 1.01 0.00 0.00 58.87 60.60 1do9 n SER 20 Cb 0.00 -0.89 -0.07 0.00 -1.01 0.00 0.00 64.21 62.24 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 4.72 -0.29 0.78 0.44 2.01 -0.94 -0.66 115.64 121.70 1do9 s THR 21 Ca 1.14 -1.23 -0.03 0.00 0.31 0.00 0.00 61.69 61.88 1do9 s THR 21 Cb -1.50 -0.70 0.15 0.00 0.01 0.00 0.00 72.50 70.47 1do9 s THR 21 CO 0.73 -0.64 1.07 0.26 -0.69 0.00 0.00 174.62 175.35 1do9 s TRP 22 N 1.19 1.37 0.03 4.92 0.52 -1.11 -1.38 118.94 124.47 1do9 s TRP 22 Ca 0.20 -0.26 -0.29 0.00 0.02 0.00 0.00 56.10 55.77 1do9 s TRP 22 Cb -0.12 -3.17 0.10 0.00 -1.15 0.00 0.00 33.47 29.13 1do9 s TRP 22 CO -0.04 -1.96 1.17 -0.48 0.02 0.00 0.00 176.95 175.66 1do9 s LEU 23 N -5.29 -0.11 -0.24 2.99 0.05 -0.85 -0.90 118.68 114.33 1do9 s LEU 23 Ca 0.69 -0.21 -0.06 0.00 0.05 0.00 0.00 54.13 54.60 1do9 s LEU 23 Cb -0.04 1.64 -0.02 0.00 -2.05 0.00 0.00 46.19 45.72 1do9 s LEU 23 CO 0.46 -0.49 0.04 -0.63 -0.55 0.00 0.00 176.35 175.18 1do9 s ILE 24 N -2.71 4.03 -0.38 1.48 1.01 -0.07 -1.27 121.20 123.28 1do9 s ILE 24 Ca 0.13 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.52 1do9 s ILE 24 Cb 0.02 -2.88 0.11 0.00 0.01 0.00 0.00 42.46 39.73 1do9 s ILE 24 CO -0.02 0.36 0.15 -0.76 0.00 0.00 0.00 174.94 174.66 1do9 s LEU 25 N 1.57 3.21 -0.39 2.97 1.43 -0.59 -2.40 118.68 124.48 1do9 s LEU 25 Ca 0.06 -2.22 -0.12 0.00 -1.03 0.00 0.00 54.13 50.81 1do9 s LEU 25 Cb -0.15 -1.19 0.02 0.00 0.03 0.00 0.00 46.19 44.90 1do9 s LEU 25 CO 0.02 -0.34 0.52 1.41 0.23 0.00 0.00 176.35 178.19 1do9 n HIS 26 N 4.11 -2.95 -2.71 0.29 8.25 -1.26 -3.69 115.22 117.25 1do9 n HIS 26 Ca 0.03 1.18 -0.13 0.00 -0.26 0.00 0.00 57.72 58.54 1do9 n HIS 26 Cb 0.38 -3.72 -0.02 0.00 1.12 0.00 0.00 29.99 27.75 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 -0.45 -1.20 -4.08 4.41 1.44 -1.26 -4.88 115.22 109.20 1do9 n HIS 27 Ca 0.09 0.22 -0.13 0.00 -2.01 0.00 0.00 57.72 55.89 1do9 n HIS 27 Cb 0.40 -1.00 -0.11 0.00 0.12 0.00 0.00 29.99 29.40 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 -4.47 0.57 -0.22 -1.40 1.02 -1.24 -2.52 119.74 111.49 1do9 s LYS 28 Ca 0.26 -0.83 -0.05 0.00 0.02 0.00 0.00 55.97 55.37 1do9 s LYS 28 Cb -0.15 -0.31 -0.02 0.00 -0.52 0.00 0.00 37.83 36.83 1do9 s LYS 28 CO 0.32 0.05 0.01 0.08 -0.92 0.00 0.00 175.35 174.89 1do9 s VAL 29 N -1.61 3.93 0.26 3.17 1.01 -0.46 -1.54 120.40 125.16 1do9 s VAL 29 Ca -0.07 -0.31 0.10 0.00 0.00 0.00 0.00 61.98 61.70 1do9 s VAL 29 Cb -0.08 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 1do9 s VAL 29 CO -0.00 0.41 -0.08 -0.31 0.00 0.00 0.00 175.10 175.12 1do9 s TYR 30 N 1.23 2.56 -0.14 5.22 1.51 -0.39 -1.48 117.35 125.86 1do9 s TYR 30 Ca 0.03 -0.26 -0.03 0.00 -1.01 0.00 0.00 57.07 55.81 1do9 s TYR 30 Cb -0.15 -1.15 0.05 0.00 -0.11 0.00 0.00 41.96 40.61 1do9 s TYR 30 CO 0.01 0.63 0.04 0.34 -1.11 0.00 0.00 175.55 175.47 1do9 s ASP 31 N -3.49 2.22 -0.08 2.29 -1.08 0.26 -2.00 116.67 114.78 1do9 s ASP 31 Ca 0.30 -0.47 0.12 0.00 -0.52 0.00 0.00 52.55 51.98 1do9 s ASP 31 Cb -0.06 -0.42 0.27 0.00 -1.46 0.00 0.00 42.92 41.25 1do9 s ASP 31 CO 0.18 -0.28 1.19 0.18 0.52 0.00 0.00 175.17 176.96 1do9 n LEU 32 N 5.16 2.72 0.05 -1.34 4.77 -0.48 -4.67 117.00 123.22 1do9 n LEU 32 Ca -0.07 -2.57 -0.12 0.00 -0.03 0.00 0.00 56.01 53.22 1do9 n LEU 32 Cb 0.49 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 41.23 1do9 n LEU 32 CO 0.11 0.65 0.66 0.74 -1.33 0.00 0.00 177.39 178.21 1do9 h THR 33 N 0.80 0.32 0.00 -5.08 2.02 -1.75 0.50 112.91 109.72 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 0.92 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1do9 h THR 33 CO 0.05 0.00 0.00 1.17 0.37 0.00 0.00 175.52 177.11 1do9 n LYS 34 N -5.40 0.44 0.00 6.66 0.00 -1.26 -2.52 118.16 116.08 1do9 n LYS 34 Ca -0.05 0.06 0.05 0.00 0.00 0.00 0.00 58.31 58.37 1do9 n LYS 34 Cb 0.32 -1.50 -0.02 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 -1.18 0.00 0.09 5.64 7.35 -0.00 -4.48 117.46 124.89 1do9 n PHE 35 Ca 0.12 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.71 1do9 n PHE 35 Cb 0.13 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 39.90 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 0.78 -0.98 -1.46 -2.13 3.38 0.20 0.52 115.31 115.63 1do9 h LEU 36 Ca 0.00 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1do9 h LEU 36 Cb 0.32 0.35 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1do9 h LEU 36 CO 0.00 -0.36 0.00 -0.62 0.09 0.00 0.00 178.44 177.55 1do9 n GLU 37 N -4.34 1.66 0.00 1.13 1.02 -1.26 -3.22 120.64 115.63 1do9 n GLU 37 Ca -0.06 -0.54 0.00 0.00 -0.02 0.00 0.00 57.16 56.55 1do9 n GLU 37 Cb 0.27 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 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 0.11 -0.20 -2.94 3.49 1.02 -0.51 -5.06 120.64 116.54 1do9 n GLU 38 Ca 0.05 -0.24 -0.42 0.00 -0.02 0.00 0.00 57.16 56.53 1do9 n GLU 38 Cb 0.42 -0.67 -0.05 0.00 -0.02 0.00 0.00 31.44 31.12 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 -0.04 3.23 -1.11 -0.32 2.46 0.17 -4.97 115.29 114.72 1do9 s HIS 39 Ca 0.00 0.88 -0.22 0.00 0.47 0.00 0.00 55.06 56.18 1do9 s HIS 39 Cb 0.00 -3.17 -0.04 0.00 -0.13 0.00 0.00 32.58 29.25 1do9 s HIS 39 CO 0.00 -0.52 1.85 -1.25 -2.47 0.00 0.00 174.74 172.35 1do9 s PRO 40 N 2.91 2.87 0.00 2.88 0.04 -1.26 -3.60 135.00 138.84 1do9 s PRO 40 Ca 0.33 -1.06 0.00 0.00 0.04 0.00 0.00 61.00 60.31 1do9 s PRO 40 Cb -0.14 -5.25 0.00 0.00 0.04 0.00 0.00 34.50 29.14 1do9 s PRO 40 CO 0.11 -3.35 0.00 0.41 0.04 0.00 0.00 177.00 174.22 1do9 n GLY 41 N 6.15 -0.75 3.64 0.56 0.00 -1.26 -5.14 105.19 108.38 1do9 n GLY 41 Ca 0.43 0.38 -0.12 0.00 0.00 0.00 0.00 46.02 46.71 1do9 n GLY 41 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1do9 s GLY 42 N 0.00 0.94 0.00 -0.02 0.00 -1.24 -5.07 107.32 101.94 1do9 s GLY 42 Ca 0.00 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.58 1do9 s GLY 42 CO 0.00 -0.67 0.00 -1.84 0.00 0.00 0.00 173.10 170.59 1do9 n GLU 43 N -0.54 0.70 0.05 2.90 0.28 -1.26 -4.51 120.64 118.26 1do9 n GLU 43 Ca -0.03 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.89 1do9 n GLU 43 Cb 0.61 -0.75 0.08 0.00 1.43 0.00 0.00 31.44 32.81 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 0.37 -0.53 3.44 4.81 -1.97 -0.51 114.58 120.19 1do9 h GLU 44 Ca 0.00 -0.26 0.15 0.00 -0.13 0.00 0.00 59.36 59.12 1do9 h GLU 44 Cb 0.49 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 1do9 h GLU 44 CO 0.00 0.87 0.61 -0.39 -0.73 0.00 0.00 179.01 179.38 1do9 h VAL 45 N 0.27 0.27 0.00 0.32 -1.51 -1.99 0.92 116.25 114.52 1do9 h VAL 45 Ca -0.01 0.00 -0.15 0.00 -1.23 0.00 0.00 66.70 65.31 1do9 h VAL 45 Cb 1.15 0.50 -0.02 0.00 -2.13 0.00 0.00 31.29 30.79 1do9 h VAL 45 CO 0.10 0.00 -0.75 -0.07 -1.23 0.00 0.00 177.57 175.63 1do9 h LEU 46 N 0.00 0.00 0.00 4.19 3.38 -1.41 -3.12 115.31 118.35 1do9 h LEU 46 Ca 0.25 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.04 1do9 h LEU 46 Cb 1.48 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.20 1do9 h LEU 46 CO -0.00 0.70 -1.00 -0.09 0.09 0.00 0.00 178.44 178.13 1do9 h ARG 47 N 0.00 0.00 0.00 1.13 2.43 -0.90 -2.62 114.38 114.42 1do9 h ARG 47 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 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 0.63 0.00 0.93 -1.51 0.00 0.00 179.97 180.10 1do9 h GLU 48 N 0.00 0.00 0.00 0.20 5.08 -1.09 -2.02 114.58 116.75 1do9 h GLU 48 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1do9 h GLU 48 Cb 1.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.89 1do9 h GLU 48 CO 0.09 0.00 -0.02 1.04 -1.00 0.00 0.00 179.01 179.12 1do9 n GLN 49 N -2.94 2.09 -1.69 2.33 1.13 -1.24 -5.02 117.38 112.04 1do9 n GLN 49 Ca -0.01 -1.44 -0.44 0.00 -1.94 0.00 0.00 57.00 53.17 1do9 n GLN 49 Cb 0.16 -0.95 -0.03 0.00 0.11 0.00 0.00 30.24 29.53 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 -0.51 1.46 -1.73 -1.58 0.00 -0.76 -0.72 120.51 116.65 1do9 n ALA 50 Ca 0.02 0.41 -0.15 0.00 0.00 0.00 0.00 53.44 53.71 1do9 n ALA 50 Cb 0.37 -2.32 -0.05 0.00 0.00 0.00 0.00 19.45 17.44 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 2.27 0.90 0.00 0.00 0.00 -0.08 -4.90 105.19 103.38 1do9 n GLY 51 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.46 5.00 3.36 -0.02 0.00 0.10 -3.74 105.19 109.43 1do9 n GLY 52 Ca -0.16 -1.74 -0.46 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.07 6.53 0.00 1.61 1.01 -1.26 -0.90 116.67 123.60 1do9 s ASP 53 Ca 0.00 -2.16 0.20 0.00 0.71 0.00 0.00 52.55 51.30 1do9 s ASP 53 Cb 0.00 -2.27 0.70 0.00 1.01 0.00 0.00 42.92 42.36 1do9 s ASP 53 CO 0.00 -0.83 1.52 0.00 0.21 0.00 0.00 175.17 176.07 1do9 n ALA 54 N 5.17 2.51 -0.23 5.23 0.00 -1.01 -4.44 120.51 127.73 1do9 n ALA 54 Ca 0.07 -0.56 0.02 0.00 0.00 0.00 0.00 53.44 52.96 1do9 n ALA 54 Cb 0.45 -1.06 0.14 0.00 0.00 0.00 0.00 19.45 18.98 1do9 n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1do9 h THR 55 N 2.35 0.76 -0.21 0.00 2.02 -1.86 0.10 112.91 116.07 1do9 h THR 55 Ca 0.00 -0.16 -0.10 0.00 0.77 0.00 0.00 66.41 66.92 1do9 h THR 55 Cb 0.52 0.24 -0.06 0.00 -1.74 0.00 0.00 68.15 67.11 1do9 h THR 55 CO 0.00 0.09 0.12 -1.84 0.37 0.00 0.00 175.52 174.26 1do9 n GLU 56 N -4.96 1.43 0.01 6.66 0.28 -1.26 -2.34 120.64 120.47 1do9 n GLU 56 Ca 0.11 -0.72 0.00 0.00 -0.16 0.00 0.00 57.16 56.39 1do9 n GLU 56 Cb 0.31 -1.36 0.00 0.00 1.43 0.00 0.00 31.44 31.82 1do9 n GLU 56 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1do9 n ASN 57 N 0.12 0.17 -0.30 -1.84 3.02 0.27 -4.32 115.26 112.38 1do9 n ASN 57 Ca 0.13 0.04 -0.03 0.00 -0.03 0.00 0.00 54.58 54.69 1do9 n ASN 57 Cb 0.71 -0.04 0.09 0.00 -0.61 0.00 0.00 39.78 39.94 1do9 n ASN 57 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1do9 h PHE 58 N 0.00 0.99 0.00 3.10 3.57 -1.43 -1.96 116.94 121.21 1do9 h PHE 58 Ca 0.00 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.41 1do9 h PHE 58 Cb 0.00 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.39 1do9 h PHE 58 CO 0.00 0.58 -1.46 0.39 -2.23 0.00 0.00 178.31 175.59 1do9 n GLU 59 N -4.57 0.63 0.05 1.11 -0.58 -0.99 -3.21 120.64 113.08 1do9 n GLU 59 Ca 0.09 0.11 -0.12 0.00 -0.42 0.00 0.00 57.16 56.83 1do9 n GLU 59 Cb 0.07 -1.75 -0.08 0.00 -0.57 0.00 0.00 31.44 29.11 1do9 n GLU 59 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 1do9 h ASP 60 N 0.00 -0.16 0.19 1.62 3.58 -1.57 -3.19 116.42 116.89 1do9 h ASP 60 Ca -0.12 -0.39 -0.03 0.00 0.42 0.00 0.00 57.03 56.91 1do9 h ASP 60 Cb 1.38 0.04 -0.00 0.00 1.72 0.00 0.00 39.33 42.47 1do9 h ASP 60 CO 0.02 0.38 -0.16 1.62 -2.88 0.00 0.00 179.24 178.22 1do9 h VAL 61 N -0.77 1.03 -2.95 2.25 3.04 -1.52 -3.47 116.25 113.85 1do9 h VAL 61 Ca -0.02 -0.57 0.00 0.00 -1.01 0.00 0.00 66.70 65.10 1do9 h VAL 61 Cb 0.54 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 31.13 1do9 h VAL 61 CO 0.03 0.16 0.00 0.61 -1.01 0.00 0.00 177.57 177.36 1do9 n GLY 62 N -1.00 -0.10 0.00 3.17 0.00 -1.20 -5.02 105.19 101.05 1do9 n GLY 62 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.06 0.00 0.00 1.61 8.25 -1.20 -5.05 115.22 117.77 1do9 n HIS 63 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1do9 n HIS 63 Cb 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 1do9 n HIS 63 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1do9 n SER 64 N -0.61 0.00 -0.02 0.41 7.64 -1.26 -5.00 113.62 114.78 1do9 n SER 64 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 1do9 n SER 64 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 1do9 n SER 64 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1do9 h THR 65 N 0.95 1.31 0.00 0.44 2.02 -1.99 -2.71 112.91 112.93 1do9 h THR 65 Ca 0.00 -1.59 -0.01 0.00 0.77 0.00 0.00 66.41 65.59 1do9 h THR 65 Cb 0.00 2.29 -0.00 0.00 -1.74 0.00 0.00 68.15 68.70 1do9 h THR 65 CO 0.00 0.37 -0.03 0.44 0.37 0.00 0.00 175.52 176.67 1do9 h ASP 66 N -0.82 0.00 -0.19 4.18 5.19 -2.00 0.26 116.42 123.04 1do9 h ASP 66 Ca -0.01 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 1do9 h ASP 66 Cb 0.66 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.17 1do9 h ASP 66 CO 0.01 0.03 0.02 0.00 -3.12 0.00 0.00 179.24 176.18 1do9 h ALA 67 N 1.97 0.26 -0.16 3.45 0.00 -1.94 -2.14 119.26 120.69 1do9 h ALA 67 Ca -0.00 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1do9 h ALA 67 Cb 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1do9 h ALA 67 CO 0.00 -0.05 0.15 0.00 0.00 0.00 0.00 179.25 179.35 1do9 h ARG 68 N 0.11 0.00 -0.18 0.00 3.08 -0.63 -2.48 114.38 114.27 1do9 h ARG 68 Ca 0.06 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.96 1do9 h ARG 68 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1do9 h ARG 68 CO 0.01 0.00 -0.48 0.93 -1.07 0.00 0.00 179.97 179.35 1do9 h GLU 69 N 0.00 0.64 -0.10 0.04 5.08 -0.69 -2.73 114.58 116.82 1do9 h GLU 69 Ca 0.08 -0.45 0.02 0.00 -1.00 0.00 0.00 59.36 58.00 1do9 h GLU 69 Cb 0.38 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1do9 h GLU 69 CO -0.00 1.07 0.07 -0.07 -1.00 0.00 0.00 179.01 179.08 1do9 h LEU 70 N 0.31 0.04 -1.84 1.33 3.38 -1.16 -0.44 115.31 116.94 1do9 h LEU 70 Ca -0.01 -0.00 0.27 0.00 0.09 0.00 0.00 57.88 58.23 1do9 h LEU 70 Cb 1.10 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.79 1do9 h LEU 70 CO 0.10 0.03 0.69 0.28 0.09 0.00 0.00 178.44 179.63 1do9 h SER 71 N 0.05 0.12 -0.53 -0.43 0.02 -1.15 -0.67 113.55 110.96 1do9 h SER 71 Ca 0.04 0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.90 1do9 h SER 71 Cb 0.11 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1do9 h SER 71 CO -0.00 0.04 -0.10 0.50 -1.14 0.00 0.00 176.83 176.12 1do9 h LYS 72 N 0.11 1.00 -0.00 3.45 3.64 -1.13 -1.53 116.57 122.11 1do9 h LYS 72 Ca 0.49 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1do9 h LYS 72 Cb 1.73 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.48 1do9 h LYS 72 CO -0.07 1.05 -0.00 -2.37 -2.27 0.00 0.00 179.45 175.79 1do9 n THR 73 N -4.18 0.00 -0.06 1.00 5.66 -0.30 -3.76 114.28 112.65 1do9 n THR 73 Ca 0.01 -0.07 -0.03 0.00 -3.05 0.00 0.00 64.05 60.91 1do9 n THR 73 Cb 0.39 -0.21 -0.14 0.00 -1.55 0.00 0.00 70.33 68.82 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 -0.68 0.00 -1.73 1.09 3.01 -0.80 -4.93 117.46 113.42 1do9 n PHE 74 Ca 0.22 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.26 1do9 n PHE 74 Cb 0.18 -0.71 -0.02 0.00 -0.01 0.00 0.00 39.48 38.92 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 -2.48 0.87 -0.16 4.37 3.06 -0.64 -0.57 119.36 123.80 1do9 n ILE 75 Ca -0.20 -0.22 0.00 0.00 -2.50 0.00 0.00 62.75 59.83 1do9 n ILE 75 Cb 0.87 -1.88 0.00 0.00 0.54 0.00 0.00 39.64 39.17 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 2.35 0.00 -1.57 9.51 -6.64 -0.55 -4.89 119.36 117.56 1do9 n ILE 76 Ca 0.10 -0.37 0.00 0.00 -1.77 0.00 0.00 62.75 60.71 1do9 n ILE 76 Cb 0.36 1.16 0.00 0.00 -1.44 0.00 0.00 39.64 39.72 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 0.27 -1.36 3.20 3.28 0.00 -1.20 -2.87 105.19 106.50 1do9 n GLY 77 Ca 0.00 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 1do9 n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1do9 s GLU 78 N -1.21 0.92 0.10 1.61 2.02 -1.26 -1.36 118.70 119.53 1do9 s GLU 78 Ca 0.00 -1.39 -0.31 0.00 0.02 0.00 0.00 54.97 53.29 1do9 s GLU 78 Cb 0.00 -0.32 -0.09 0.00 0.10 0.00 0.00 34.13 33.82 1do9 s GLU 78 CO 0.00 -0.01 1.62 -0.51 0.02 0.00 0.00 175.26 176.38 1do9 s LEU 79 N -3.09 4.37 0.26 1.80 1.02 -1.05 -1.53 118.68 120.46 1do9 s LEU 79 Ca 0.14 2.53 -0.29 0.00 0.02 0.00 0.00 54.13 56.54 1do9 s LEU 79 Cb 0.05 -3.57 -0.15 0.00 0.02 0.00 0.00 46.19 42.54 1do9 s LEU 79 CO -0.02 -0.86 0.96 1.41 0.02 0.00 0.00 176.35 177.86 1do9 n HIS 80 N 4.99 1.05 -2.44 0.29 8.25 -0.92 -4.80 115.22 121.63 1do9 n HIS 80 Ca 0.15 0.74 -0.39 0.00 -0.26 0.00 0.00 57.72 57.96 1do9 n HIS 80 Cb 0.40 -2.22 -0.02 0.00 1.12 0.00 0.00 29.99 29.27 1do9 n HIS 80 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1do9 s PRO 81 N -1.35 3.56 0.24 -0.41 0.04 -1.26 -3.10 135.00 132.71 1do9 s PRO 81 Ca 0.61 -1.69 0.00 0.00 0.04 0.00 0.00 61.00 59.96 1do9 s PRO 81 Cb -0.75 -5.44 0.00 0.00 0.04 0.00 0.00 34.50 28.35 1do9 s PRO 81 CO 0.59 -2.70 0.00 -3.47 0.04 0.00 0.00 177.00 171.45 1do9 n ASP 82 N 10.03 -2.13 -0.75 6.66 2.03 -1.26 -4.95 116.55 126.18 1do9 n ASP 82 Ca 0.46 0.55 0.02 0.00 0.52 0.00 0.00 54.79 56.35 1do9 n ASP 82 Cb 0.47 2.18 0.10 0.00 -0.72 0.00 0.00 41.12 43.15 1do9 n ASP 82 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1do9 n ASP 83 N -3.02 1.97 -0.05 1.67 8.00 -1.18 -3.79 116.55 120.15 1do9 n ASP 83 Ca 0.00 -2.19 -0.19 0.00 0.71 0.00 0.00 54.79 53.12 1do9 n ASP 83 Cb 0.00 -0.46 -0.13 0.00 -0.02 0.00 0.00 41.12 40.51 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 0.14 0.71 -1.22 -1.24 0.00 -1.26 -3.86 116.66 109.93 1do9 n ARG 84 Ca 0.07 0.22 -0.24 0.00 -0.00 0.00 0.00 57.85 57.89 1do9 n ARG 84 Cb 0.42 -1.65 0.16 0.00 0.00 0.00 0.00 32.46 31.40 1do9 n ARG 84 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1do9 n SER 85 N -3.34 4.36 0.09 6.15 2.88 -1.25 -4.59 113.62 117.92 1do9 n SER 85 Ca -0.35 -3.66 0.00 0.00 -1.33 0.00 0.00 58.87 53.52 1do9 n SER 85 Cb 1.03 -0.84 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 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 -1.10 0.00 -3.55 -1.46 0.00 -1.26 -5.11 118.16 105.69 1do9 n LYS 86 Ca 0.58 0.00 -0.22 0.00 0.00 0.00 0.00 58.31 58.67 1do9 n LYS 86 Cb 1.43 0.00 0.01 0.00 0.00 0.00 0.00 35.03 36.47 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 -3.10 -3.29 -3.64 3.14 4.77 -1.25 -5.02 117.00 108.61 1do9 n LEU 87 Ca 0.00 -0.55 -0.09 0.00 -0.03 0.00 0.00 56.01 55.34 1do9 n LEU 87 Cb 0.00 -2.04 -0.07 0.00 -2.33 0.00 0.00 43.42 38.98 1do9 n LEU 87 CO 0.00 -0.14 0.46 -0.55 -1.33 0.00 0.00 177.39 175.83 1do9 s SER 88 N -2.67 -0.77 -0.32 -1.43 0.15 -1.26 -5.13 113.70 102.27 1do9 s SER 88 Ca 0.09 1.33 0.05 0.00 0.70 0.00 0.00 55.95 58.12 1do9 s SER 88 Cb -0.01 1.33 0.19 0.00 -1.71 0.00 0.00 66.02 65.82 1do9 s SER 88 CO 0.86 -0.22 0.63 -0.75 1.20 0.00 0.00 173.24 174.96 1do9 s LYS 89 N 1.08 0.59 0.04 5.44 2.47 -1.26 -5.05 119.74 123.05 1do9 s LYS 89 Ca -0.06 0.34 -0.16 0.00 -1.56 0.00 0.00 55.97 54.53 1do9 s LYS 89 Cb -0.05 0.20 -0.29 0.00 -1.46 0.00 0.00 37.83 36.24 1do9 s LYS 89 CO -0.12 -1.03 1.08 -1.00 0.16 0.00 0.00 175.35 174.45 1do9 h PRO 90 N 7.69 0.59 -6.80 4.03 0.13 -2.06 -3.45 132.00 132.13 1do9 h PRO 90 Ca -0.00 -0.78 -0.53 0.00 -0.87 0.00 0.00 66.00 63.82 1do9 h PRO 90 Cb 1.19 0.26 0.08 0.00 0.13 0.00 0.00 31.00 32.66 1do9 h PRO 90 CO 0.12 1.35 0.86 1.41 -0.23 0.00 0.00 178.00 181.52 1do9 s MET 91 N -2.96 4.14 0.00 0.86 1.75 -1.26 -4.93 119.30 116.91 1do9 s MET 91 Ca -0.10 2.54 -0.05 0.00 -1.25 0.00 0.00 55.69 56.83 1do9 s MET 91 Cb 0.05 -3.03 -0.02 0.00 2.84 0.00 0.00 34.83 34.67 1do9 s MET 91 CO 0.92 -0.60 -0.10 -1.91 -0.65 0.00 0.00 175.02 172.68 1do9 n GLU 92 N 2.13 0.15 -3.88 4.11 2.13 -1.26 -5.12 120.64 118.89 1do9 n GLU 92 Ca 0.08 0.06 -0.18 0.00 0.66 0.00 0.00 57.16 57.78 1do9 n GLU 92 Cb 0.38 -0.69 -0.06 0.00 0.27 0.00 0.00 31.44 31.34 1do9 n GLU 92 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1do9 n THR 93 N -3.56 0.00 -1.56 6.31 -2.24 -1.26 -5.27 114.28 106.70 1do9 n THR 93 Ca -0.04 -1.99 0.00 0.00 -2.27 0.00 0.00 64.05 59.75 1do9 n THR 93 Cb 0.14 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 1do9 n THR 93 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39