#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1do9 n LYS 2 N 0.00 -0.73 -3.80 0.11 5.02 -1.26 -5.11 118.16 112.39 1do9 n LYS 2 Ca 0.00 0.53 -0.03 0.00 -2.02 0.00 0.00 58.31 56.79 1do9 n LYS 2 Cb 0.00 -3.14 0.02 0.00 -0.02 0.00 0.00 35.03 31.89 1do9 n LYS 2 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1do9 n ASP 3 N -1.85 -1.66 0.00 4.39 8.00 -1.26 -5.17 116.55 119.00 1do9 n ASP 3 Ca -0.02 -1.85 0.00 0.00 0.71 0.00 0.00 54.79 53.63 1do9 n ASP 3 Cb 0.53 2.69 0.00 0.00 -0.02 0.00 0.00 41.12 44.32 1do9 n ASP 3 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1do9 n VAL 4 N -0.71 0.00 0.00 2.53 0.31 -1.26 -5.08 118.33 114.11 1do9 n VAL 4 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1do9 n VAL 4 Cb 0.57 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 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 2.01 -2.06 5.55 4.76 -1.26 -4.95 118.16 122.21 1do9 n LYS 5 Ca 0.00 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.37 1do9 n LYS 5 Cb 0.00 -0.95 0.01 0.00 -1.84 0.00 0.00 35.03 32.25 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 -1.58 -0.48 -4.08 2.13 4.01 -1.25 -4.88 117.16 111.03 1do9 n TYR 6 Ca 0.00 0.20 -0.28 0.00 -0.16 0.00 0.00 57.90 57.67 1do9 n TYR 6 Cb 0.21 -0.66 -0.06 0.00 -0.31 0.00 0.00 39.34 38.52 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 -0.61 3.14 0.30 -0.72 2.02 -0.64 -4.74 117.35 116.10 1do9 s TYR 7 Ca 0.07 0.01 -0.05 0.00 -0.37 0.00 0.00 57.07 56.73 1do9 s TYR 7 Cb -0.01 -1.54 -0.05 0.00 -0.40 0.00 0.00 41.96 39.96 1do9 s TYR 7 CO 0.16 0.52 0.57 0.95 -1.57 0.00 0.00 175.55 176.17 1do9 s THR 8 N -1.62 5.02 0.28 -0.71 -4.23 -1.26 -1.18 115.64 111.93 1do9 s THR 8 Ca 0.30 0.05 0.01 0.00 -1.18 0.00 0.00 61.69 60.87 1do9 s THR 8 Cb -0.11 -3.74 0.26 0.00 1.34 0.00 0.00 72.50 70.25 1do9 s THR 8 CO 0.23 -0.36 1.78 -0.07 -0.54 0.00 0.00 174.62 175.66 1do9 h LEU 9 N 1.57 0.69 -1.06 4.79 -0.00 -1.99 0.11 115.31 119.42 1do9 h LEU 9 Ca -0.48 0.08 0.02 0.00 -0.00 0.00 0.00 57.88 57.50 1do9 h LEU 9 Cb 1.19 -0.04 -0.05 0.00 -0.00 0.00 0.00 40.66 41.76 1do9 h LEU 9 CO 0.66 0.30 0.63 -0.33 -0.00 0.00 0.00 178.44 179.70 1do9 h GLU 10 N 0.75 1.24 0.18 1.13 5.08 -1.96 -0.71 114.58 120.28 1do9 h GLU 10 Ca 0.50 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.77 1do9 h GLU 10 Cb 0.67 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1do9 h GLU 10 CO -0.34 0.82 -0.08 1.49 -1.00 0.00 0.00 179.01 179.89 1do9 h GLU 11 N 1.27 -0.23 0.00 2.33 4.57 -1.19 -2.90 114.58 118.43 1do9 h GLU 11 Ca 0.36 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.53 1do9 h GLU 11 Cb -0.11 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.53 1do9 h GLU 11 CO -0.09 -0.01 -0.13 0.82 -1.18 0.00 0.00 179.01 178.42 1do9 h ILE 12 N -0.41 0.91 0.00 2.32 2.04 -0.97 -1.04 117.51 120.36 1do9 h ILE 12 Ca -0.02 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.36 1do9 h ILE 12 Cb 0.32 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1do9 h ILE 12 CO 0.04 0.13 0.00 0.29 0.00 0.00 0.00 178.15 178.61 1do9 n LYS 13 N -4.12 0.68 -0.15 2.37 5.02 -0.30 -2.33 118.16 119.32 1do9 n LYS 13 Ca -0.02 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.30 1do9 n LYS 13 Cb 0.21 -1.03 0.04 0.00 -0.02 0.00 0.00 35.03 34.23 1do9 n LYS 13 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1do9 n LYS 14 N -0.44 1.12 -1.55 1.97 2.85 -0.39 -4.79 118.16 116.92 1do9 n LYS 14 Ca 0.00 -1.53 -0.24 0.00 -1.05 0.00 0.00 58.31 55.50 1do9 n LYS 14 Cb 0.01 -0.94 0.08 0.00 -0.65 0.00 0.00 35.03 33.54 1do9 n LYS 14 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1do9 n HIS 15 N -0.58 2.57 -3.81 5.58 8.25 -0.99 -4.82 115.22 121.44 1do9 n HIS 15 Ca 0.05 -2.35 -0.28 0.00 -0.26 0.00 0.00 57.72 54.88 1do9 n HIS 15 Cb 0.54 -0.73 -0.11 0.00 1.12 0.00 0.00 29.99 30.80 1do9 n HIS 15 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1do9 n ASN 16 N -0.87 3.23 -3.74 0.41 3.02 -1.23 -1.87 115.26 114.22 1do9 n ASN 16 Ca 0.48 -3.26 -0.22 0.00 -0.03 0.00 0.00 54.58 51.55 1do9 n ASN 16 Cb 0.90 -0.76 -0.05 0.00 -0.61 0.00 0.00 39.78 39.26 1do9 n ASN 16 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1do9 n HIS 17 N 1.77 0.60 0.06 3.10 8.25 0.17 -5.02 115.22 124.14 1do9 n HIS 17 Ca 0.22 -1.91 0.21 0.00 -0.26 0.00 0.00 57.72 55.98 1do9 n HIS 17 Cb 0.36 -0.16 0.73 0.00 1.12 0.00 0.00 29.99 32.04 1do9 n HIS 17 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1do9 h SER 18 N 1.03 0.00 0.00 0.41 0.02 -2.03 -3.32 113.55 109.66 1do9 h SER 18 Ca -0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1do9 h SER 18 Cb 0.94 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.48 1do9 h SER 18 CO 0.47 0.00 0.00 1.17 -1.14 0.00 0.00 176.83 177.33 1do9 n LYS 19 N -3.75 0.00 -1.13 3.45 3.00 -1.26 -5.02 118.16 113.45 1do9 n LYS 19 Ca 0.09 0.00 -0.54 0.00 -0.00 0.00 0.00 58.31 57.86 1do9 n LYS 19 Cb 0.68 -0.08 -0.11 0.00 0.00 0.00 0.00 35.03 35.53 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 0.67 -3.35 3.14 7.64 -1.25 -4.53 113.62 113.87 1do9 n SER 20 Ca 0.00 0.61 -0.26 0.00 1.01 0.00 0.00 58.87 60.23 1do9 n SER 20 Cb 0.00 -0.81 -0.09 0.00 -1.01 0.00 0.00 64.21 62.30 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 5.85 -1.14 -1.98 0.44 -1.04 -1.07 -0.66 114.28 114.68 1do9 n THR 21 Ca 0.50 -3.42 -0.29 0.00 -2.04 0.00 0.00 64.05 58.79 1do9 n THR 21 Cb -0.04 -1.61 0.17 0.00 -1.82 0.00 0.00 70.33 67.03 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 -0.05 1.76 0.09 -1.42 0.52 -0.78 -1.53 118.94 117.53 1do9 s TRP 22 Ca 0.33 0.32 -0.25 0.00 0.02 0.00 0.00 56.10 56.52 1do9 s TRP 22 Cb 0.05 -3.96 0.09 0.00 -1.15 0.00 0.00 33.47 28.49 1do9 s TRP 22 CO -0.19 -2.48 1.16 -0.48 0.02 0.00 0.00 176.95 174.99 1do9 s LEU 23 N -5.80 0.01 -0.68 2.99 0.05 -0.87 -0.95 118.68 113.44 1do9 s LEU 23 Ca 0.72 -0.45 -0.04 0.00 0.05 0.00 0.00 54.13 54.41 1do9 s LEU 23 Cb -0.05 1.70 0.18 0.00 -2.05 0.00 0.00 46.19 45.97 1do9 s LEU 23 CO 0.52 -0.65 0.52 -0.63 -0.55 0.00 0.00 176.35 175.55 1do9 s ILE 24 N -2.05 4.00 -0.32 1.48 -1.09 -0.02 -2.38 121.20 120.81 1do9 s ILE 24 Ca 0.26 -3.02 -0.23 0.00 -2.23 0.00 0.00 60.65 55.43 1do9 s ILE 24 Cb -0.02 -3.57 0.00 0.00 -1.58 0.00 0.00 42.46 37.29 1do9 s ILE 24 CO 0.03 -0.92 0.79 -0.76 -1.23 0.00 0.00 174.94 172.84 1do9 s LEU 25 N -0.20 4.09 0.34 2.97 1.43 -1.24 -2.18 118.68 123.90 1do9 s LEU 25 Ca 0.18 0.58 0.00 0.00 -1.03 0.00 0.00 54.13 53.87 1do9 s LEU 25 Cb -0.18 -3.06 0.00 0.00 0.03 0.00 0.00 46.19 42.98 1do9 s LEU 25 CO -0.05 -0.65 0.00 1.41 0.23 0.00 0.00 176.35 177.30 1do9 n HIS 26 N 6.26 -3.30 0.00 0.29 8.25 -1.26 -3.14 115.22 122.32 1do9 n HIS 26 Ca 0.04 1.67 0.00 0.00 -0.26 0.00 0.00 57.72 59.16 1do9 n HIS 26 Cb 0.48 -2.99 0.00 0.00 1.12 0.00 0.00 29.99 28.60 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 -3.93 0.00 -4.22 4.41 1.44 -1.26 -4.67 115.22 107.00 1do9 n HIS 27 Ca -0.00 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.55 1do9 n HIS 27 Cb 0.66 -0.01 -0.09 0.00 0.12 0.00 0.00 29.99 30.67 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 0.07 1.51 -0.12 -1.40 1.02 -1.19 -4.25 119.74 115.39 1do9 s LYS 28 Ca 0.00 -1.79 0.03 0.00 0.02 0.00 0.00 55.97 54.23 1do9 s LYS 28 Cb 0.00 0.32 0.00 0.00 -0.52 0.00 0.00 37.83 37.63 1do9 s LYS 28 CO 0.00 -0.54 -0.22 0.08 -0.92 0.00 0.00 175.35 173.75 1do9 s VAL 29 N -3.76 2.18 0.21 3.17 1.01 -0.57 -3.63 120.40 119.01 1do9 s VAL 29 Ca 0.38 -0.96 0.10 0.00 0.00 0.00 0.00 61.98 61.50 1do9 s VAL 29 Cb 0.04 -1.85 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 1do9 s VAL 29 CO 0.19 0.55 -0.20 -0.31 0.00 0.00 0.00 175.10 175.34 1do9 s TYR 30 N 0.51 2.06 -0.16 5.22 1.51 -1.00 -1.43 117.35 124.05 1do9 s TYR 30 Ca -0.14 -0.42 -0.03 0.00 -1.01 0.00 0.00 57.07 55.47 1do9 s TYR 30 Cb -0.17 -0.97 0.05 0.00 -0.11 0.00 0.00 41.96 40.76 1do9 s TYR 30 CO 0.05 0.49 0.04 0.34 -1.11 0.00 0.00 175.55 175.36 1do9 s ASP 31 N -3.02 2.48 -0.11 2.29 -1.08 0.08 -2.05 116.67 115.27 1do9 s ASP 31 Ca 0.22 -0.61 0.14 0.00 -0.52 0.00 0.00 52.55 51.79 1do9 s ASP 31 Cb -0.05 -0.49 0.34 0.00 -1.46 0.00 0.00 42.92 41.26 1do9 s ASP 31 CO 0.10 -0.29 1.25 0.18 0.52 0.00 0.00 175.17 176.93 1do9 n LEU 32 N 5.12 2.96 0.02 -1.34 4.77 -0.58 -4.67 117.00 123.27 1do9 n LEU 32 Ca -0.08 -2.74 -0.11 0.00 -0.03 0.00 0.00 56.01 53.05 1do9 n LEU 32 Cb 0.48 -0.38 -0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1do9 n LEU 32 CO 0.12 0.67 0.63 0.74 -1.33 0.00 0.00 177.39 178.22 1do9 h THR 33 N 0.98 0.26 0.00 -5.08 2.02 -1.79 0.42 112.91 109.72 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 1.05 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1do9 h THR 33 CO 0.08 0.00 0.00 1.17 0.37 0.00 0.00 175.52 177.14 1do9 n LYS 34 N -5.42 0.29 -0.00 6.66 4.81 -1.26 -3.07 118.16 120.18 1do9 n LYS 34 Ca -0.04 0.06 0.08 0.00 -0.87 0.00 0.00 58.31 57.54 1do9 n LYS 34 Cb 0.34 -1.50 -0.09 0.00 0.02 0.00 0.00 35.03 33.79 1do9 n LYS 34 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1do9 n PHE 35 N -1.32 0.00 0.00 5.64 7.35 0.04 -4.43 117.46 124.75 1do9 n PHE 35 Ca 0.11 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.78 1do9 n PHE 35 Cb 0.20 -0.03 -0.01 0.00 0.35 0.00 0.00 39.48 39.99 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 0.00 -0.17 -0.90 -2.13 3.38 -0.20 0.46 115.31 115.74 1do9 h LEU 36 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1do9 h LEU 36 Cb 0.41 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1do9 h LEU 36 CO 0.00 -0.05 0.00 -0.62 0.09 0.00 0.00 178.44 177.86 1do9 n GLU 37 N -2.82 0.93 0.00 1.13 -0.58 -1.26 -2.70 120.64 115.33 1do9 n GLU 37 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 1do9 n GLU 37 Cb 0.04 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 1do9 n GLU 37 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1do9 n GLU 38 N -0.02 -0.40 -3.11 3.49 1.02 -0.46 -5.06 120.64 116.11 1do9 n GLU 38 Ca 0.00 -0.28 -0.40 0.00 -0.02 0.00 0.00 57.16 56.46 1do9 n GLU 38 Cb 0.21 -0.74 -0.05 0.00 -0.02 0.00 0.00 31.44 30.83 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 3.43 -0.98 -0.32 2.46 0.15 -4.98 115.29 115.03 1do9 s HIS 39 Ca 0.00 1.01 -0.24 0.00 0.47 0.00 0.00 55.06 56.30 1do9 s HIS 39 Cb 0.00 -2.79 -0.02 0.00 -0.13 0.00 0.00 32.58 29.64 1do9 s HIS 39 CO 0.00 -0.09 1.81 -1.25 -2.47 0.00 0.00 174.74 172.74 1do9 s PRO 40 N 1.58 2.87 0.00 2.88 0.04 -1.26 -3.88 135.00 137.23 1do9 s PRO 40 Ca 0.31 -0.66 0.00 0.00 0.04 0.00 0.00 61.00 60.69 1do9 s PRO 40 Cb -0.16 -5.18 0.00 0.00 0.04 0.00 0.00 34.50 29.20 1do9 s PRO 40 CO 0.12 -3.09 0.00 0.41 0.04 0.00 0.00 177.00 174.47 1do9 n GLY 41 N 6.70 -0.93 3.54 0.56 0.00 -1.26 -5.12 105.19 108.68 1do9 n GLY 41 Ca 0.39 0.33 -0.11 0.00 0.00 0.00 0.00 46.02 46.63 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 -0.52 0.19 -0.02 0.00 -1.25 -5.03 107.32 100.69 1do9 s GLY 42 Ca 0.00 2.00 0.10 0.00 0.00 0.00 0.00 44.72 46.82 1do9 s GLY 42 CO 0.00 1.91 1.40 1.05 0.00 0.00 0.00 173.10 177.46 1do9 h GLU 43 N 6.19 0.00 -0.12 2.90 -0.00 -1.84 -3.33 114.58 118.38 1do9 h GLU 43 Ca -0.30 0.00 -0.14 0.00 -0.00 0.00 0.00 59.36 58.92 1do9 h GLU 43 Cb 1.19 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.93 1do9 h GLU 43 CO 0.16 0.81 -0.52 1.49 -0.00 0.00 0.00 179.01 180.95 1do9 h GLU 44 N 0.00 0.33 -0.56 1.06 4.81 -1.96 0.15 114.58 118.42 1do9 h GLU 44 Ca -0.01 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1do9 h GLU 44 Cb 1.52 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.89 1do9 h GLU 44 CO 0.11 0.77 0.34 -0.24 -0.73 0.00 0.00 179.01 179.26 1do9 h VAL 45 N 0.26 1.16 0.00 0.32 3.04 -2.00 0.21 116.25 119.24 1do9 h VAL 45 Ca 0.01 -0.34 -0.03 0.00 -1.01 0.00 0.00 66.70 65.32 1do9 h VAL 45 Cb 1.00 0.37 -0.00 0.00 -2.01 0.00 0.00 31.29 30.64 1do9 h VAL 45 CO 0.09 0.16 -0.15 -0.07 -1.01 0.00 0.00 177.57 176.59 1do9 h LEU 46 N 0.77 0.00 0.00 3.16 3.38 -0.85 -2.90 115.31 118.87 1do9 h LEU 46 Ca 0.20 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 1do9 h LEU 46 Cb -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1do9 h LEU 46 CO -0.04 0.15 -1.07 -0.09 0.09 0.00 0.00 178.44 177.48 1do9 h ARG 47 N 0.00 0.00 0.00 1.13 1.12 -0.52 -3.23 114.38 112.87 1do9 h ARG 47 Ca -0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.86 1do9 h ARG 47 Cb 0.37 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.33 1do9 h ARG 47 CO 0.02 0.09 -0.05 0.93 -3.11 0.00 0.00 179.97 177.85 1do9 h GLU 48 N 0.00 0.00 -0.10 0.20 5.08 -0.50 -2.55 114.58 116.71 1do9 h GLU 48 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1do9 h GLU 48 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1do9 h GLU 48 CO 0.01 0.05 0.00 1.04 -1.00 0.00 0.00 179.01 179.11 1do9 n GLN 49 N -3.17 2.50 -1.65 2.33 1.13 -1.24 -5.03 117.38 112.26 1do9 n GLN 49 Ca 0.01 -2.09 -0.46 0.00 -1.94 0.00 0.00 57.00 52.52 1do9 n GLN 49 Cb 0.34 -1.31 -0.03 0.00 0.11 0.00 0.00 30.24 29.35 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 -0.56 0.61 -1.51 -1.58 0.00 -0.96 -0.69 120.51 115.81 1do9 n ALA 50 Ca 0.10 0.42 -0.18 0.00 0.00 0.00 0.00 53.44 53.78 1do9 n ALA 50 Cb 0.48 -2.20 -0.08 0.00 0.00 0.00 0.00 19.45 17.65 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 2.03 1.68 3.27 0.00 0.00 -0.12 -4.90 105.19 107.14 1do9 n GLY 51 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.64 1.42 -0.72 -0.02 0.00 0.14 -4.29 107.32 101.21 1do9 s GLY 52 Ca 0.00 -1.63 -0.26 0.00 0.00 0.00 0.00 44.72 42.83 1do9 s GLY 52 CO 0.00 -1.29 1.21 -0.35 0.00 0.00 0.00 173.10 172.66 1do9 s ASP 53 N -3.17 6.17 0.00 1.64 -1.08 -1.26 -0.84 116.67 118.14 1do9 s ASP 53 Ca 0.37 -0.55 0.26 0.00 -0.52 0.00 0.00 52.55 52.11 1do9 s ASP 53 Cb 0.05 -2.53 0.68 0.00 -1.46 0.00 0.00 42.92 39.66 1do9 s ASP 53 CO 0.14 -1.74 1.52 0.00 0.52 0.00 0.00 175.17 175.61 1do9 n ALA 54 N 8.98 2.85 -0.23 3.66 0.00 -0.92 -4.30 120.51 130.56 1do9 n ALA 54 Ca 0.02 -0.50 0.04 0.00 0.00 0.00 0.00 53.44 53.00 1do9 n ALA 54 Cb 0.48 -1.05 0.28 0.00 0.00 0.00 0.00 19.45 19.17 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 2.36 1.10 -0.90 0.00 2.02 -1.88 -1.02 112.91 114.59 1do9 h THR 55 Ca 0.00 -0.32 0.11 0.00 0.77 0.00 0.00 66.41 66.98 1do9 h THR 55 Cb 0.61 0.09 -0.08 0.00 -1.74 0.00 0.00 68.15 67.03 1do9 h THR 55 CO 0.00 0.17 0.53 -0.33 0.37 0.00 0.00 175.52 176.26 1do9 h GLU 56 N 0.93 0.82 0.14 6.66 4.39 -1.92 -0.32 114.58 125.28 1do9 h GLU 56 Ca 0.32 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.96 1do9 h GLU 56 Cb 0.10 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1do9 h GLU 56 CO -0.10 0.54 -0.07 -0.91 -1.16 0.00 0.00 179.01 177.32 1do9 h ASN 57 N 0.84 -0.16 -1.01 1.42 -0.26 -1.53 -0.57 115.58 114.32 1do9 h ASN 57 Ca 0.45 -0.38 0.39 0.00 -0.56 0.00 0.00 56.30 56.19 1do9 h ASN 57 Cb 0.46 0.04 -0.17 0.00 -1.06 0.00 0.00 38.32 37.59 1do9 h ASN 57 CO -0.27 0.42 0.56 0.15 -1.06 0.00 0.00 177.43 177.22 1do9 h PHE 58 N -0.87 0.86 0.10 1.19 3.57 -0.98 -1.03 116.94 119.79 1do9 h PHE 58 Ca -0.02 0.04 -0.33 0.00 3.53 0.00 0.00 57.97 61.19 1do9 h PHE 58 Cb 0.53 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 1do9 h PHE 58 CO 0.09 -0.37 -1.74 0.93 -2.23 0.00 0.00 178.31 175.00 1do9 h GLU 59 N 0.12 0.21 -0.49 1.11 4.39 -1.08 -1.13 114.58 117.72 1do9 h GLU 59 Ca 0.81 -0.36 0.09 0.00 0.34 0.00 0.00 59.36 60.23 1do9 h GLU 59 Cb 2.05 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 30.81 1do9 h GLU 59 CO -0.70 1.03 0.33 -0.44 -1.16 0.00 0.00 179.01 178.07 1do9 h ASP 60 N 0.06 0.26 0.30 1.42 5.19 -0.04 -1.65 116.42 121.95 1do9 h ASP 60 Ca -0.32 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 55.77 1do9 h ASP 60 Cb 2.03 -0.05 -0.06 0.00 0.18 0.00 0.00 39.33 41.43 1do9 h ASP 60 CO 0.12 0.16 -1.97 0.55 -3.12 0.00 0.00 179.24 174.98 1do9 n VAL 61 N -4.46 1.54 0.00 -1.35 3.14 -0.49 -5.01 118.33 111.70 1do9 n VAL 61 Ca 0.07 -0.81 0.00 0.00 -2.96 0.00 0.00 64.34 60.64 1do9 n VAL 61 Cb 0.35 -0.87 0.00 0.00 -1.06 0.00 0.00 33.84 32.26 1do9 n VAL 61 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1do9 n GLY 62 N 1.65 3.12 1.20 7.55 0.00 -0.43 -4.98 105.19 113.30 1do9 n GLY 62 Ca -0.24 -0.90 0.13 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.73 -3.34 1.61 8.25 -1.22 -4.74 115.22 113.05 1do9 n HIS 63 Ca 0.00 1.44 -0.19 0.00 -0.26 0.00 0.00 57.72 58.71 1do9 n HIS 63 Cb 0.00 -2.49 -0.01 0.00 1.12 0.00 0.00 29.99 28.61 1do9 n HIS 63 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1do9 s SER 64 N -6.07 5.44 0.43 0.41 0.01 -1.26 -5.00 113.70 107.65 1do9 s SER 64 Ca 0.00 -0.52 0.21 0.00 1.31 0.00 0.00 55.95 56.95 1do9 s SER 64 Cb 0.00 -0.72 0.96 0.00 0.21 0.00 0.00 66.02 66.47 1do9 s SER 64 CO 0.00 -0.65 1.87 0.74 0.41 0.00 0.00 173.24 175.62 1do9 h THR 65 N 0.87 0.83 -0.63 1.44 2.02 -1.98 -1.40 112.91 114.06 1do9 h THR 65 Ca -0.42 -1.10 -0.01 0.00 0.77 0.00 0.00 66.41 65.66 1do9 h THR 65 Cb 1.27 1.66 -0.03 0.00 -1.74 0.00 0.00 68.15 69.31 1do9 h THR 65 CO 0.52 0.27 0.35 -0.78 0.37 0.00 0.00 175.52 176.24 1do9 h ASP 66 N 0.00 0.78 -0.21 4.18 3.58 -2.00 -0.29 116.42 122.46 1do9 h ASP 66 Ca -0.00 -0.06 -0.19 0.00 0.42 0.00 0.00 57.03 57.20 1do9 h ASP 66 Cb 0.64 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.50 1do9 h ASP 66 CO 0.04 0.63 -0.60 0.00 -2.88 0.00 0.00 179.24 176.42 1do9 h ALA 67 N 1.50 0.35 -0.11 -0.78 0.00 -1.77 -2.76 119.26 115.70 1do9 h ALA 67 Ca 0.22 -0.53 0.03 0.00 0.00 0.00 0.00 54.91 54.63 1do9 h ALA 67 Cb 0.02 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1do9 h ALA 67 CO -0.04 0.60 0.22 0.00 0.00 0.00 0.00 179.25 180.03 1do9 h ARG 68 N 0.51 0.00 0.05 0.00 3.08 -0.13 -2.68 114.38 115.21 1do9 h ARG 68 Ca -0.02 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 1do9 h ARG 68 Cb 1.22 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.27 1do9 h ARG 68 CO 0.13 0.00 -0.34 0.93 -1.07 0.00 0.00 179.97 179.62 1do9 h GLU 69 N 0.00 0.10 0.00 0.04 4.39 -0.82 -3.32 114.58 114.97 1do9 h GLU 69 Ca 0.05 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 1do9 h GLU 69 Cb 0.48 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1do9 h GLU 69 CO -0.00 1.08 -0.06 -0.07 -1.16 0.00 0.00 179.01 178.80 1do9 h LEU 70 N -0.79 0.00 -1.05 1.33 3.38 -1.35 0.13 115.31 116.97 1do9 h LEU 70 Ca -0.07 0.00 0.27 0.00 0.09 0.00 0.00 57.88 58.17 1do9 h LEU 70 Cb 1.23 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.85 1do9 h LEU 70 CO 0.04 0.06 0.60 0.28 0.09 0.00 0.00 178.44 179.51 1do9 h SER 71 N 0.00 0.61 0.11 -0.43 0.02 -1.59 -0.45 113.55 111.83 1do9 h SER 71 Ca -0.00 0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1do9 h SER 71 Cb 0.14 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 1do9 h SER 71 CO 0.01 0.05 -0.07 0.50 -1.14 0.00 0.00 176.83 176.18 1do9 h LYS 72 N 0.50 0.00 -0.02 3.45 1.63 -0.86 -0.71 116.57 120.56 1do9 h LYS 72 Ca 0.66 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.46 1do9 h LYS 72 Cb 1.37 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.00 1do9 h LYS 72 CO -0.48 0.07 -0.21 -2.37 -3.45 0.00 0.00 179.45 173.01 1do9 n THR 73 N -4.14 0.00 0.12 1.00 5.66 -0.22 -4.20 114.28 112.50 1do9 n THR 73 Ca -0.03 -0.32 0.08 0.00 -3.05 0.00 0.00 64.05 60.74 1do9 n THR 73 Cb 0.15 1.10 -0.12 0.00 -1.55 0.00 0.00 70.33 69.91 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 0.39 0.00 -1.75 1.09 3.72 -0.45 -4.91 117.46 115.53 1do9 n PHE 74 Ca 0.13 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.11 1do9 n PHE 74 Cb 0.48 -0.32 -0.03 0.00 -0.94 0.00 0.00 39.48 38.67 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 -3.06 3.08 -0.45 4.37 2.07 -0.40 -0.74 121.20 126.07 1do9 s ILE 75 Ca -0.04 0.18 0.16 0.00 -1.41 0.00 0.00 60.65 59.54 1do9 s ILE 75 Cb 0.11 -3.12 -0.20 0.00 0.13 0.00 0.00 42.46 39.38 1do9 s ILE 75 CO 0.69 -0.01 0.54 2.30 -1.91 0.00 0.00 174.94 176.54 1do9 n ILE 76 N 5.41 0.00 -2.99 2.00 -6.64 -0.51 -4.92 119.36 111.71 1do9 n ILE 76 Ca 0.19 -0.22 0.00 0.00 -1.77 0.00 0.00 62.75 60.94 1do9 n ILE 76 Cb 0.41 0.66 0.00 0.00 -1.44 0.00 0.00 39.64 39.27 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 1.45 1.08 3.21 3.28 0.00 -1.04 -4.41 105.19 108.76 1do9 n GLY 77 Ca 0.01 -0.67 -0.11 0.00 0.00 0.00 0.00 46.02 45.25 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 0.41 1.09 0.77 1.61 -1.05 -1.26 -1.51 118.70 118.76 1do9 s GLU 78 Ca 0.00 -1.48 -0.14 0.00 -0.15 0.00 0.00 54.97 53.19 1do9 s GLU 78 Cb 0.00 0.28 0.05 0.00 -0.44 0.00 0.00 34.13 34.02 1do9 s GLU 78 CO 0.00 -0.35 1.13 1.28 0.95 0.00 0.00 175.26 178.27 1do9 n LEU 79 N -0.19 4.24 -4.54 1.83 7.99 -1.26 -1.61 117.00 123.45 1do9 n LEU 79 Ca -0.02 0.63 -0.40 0.00 -0.01 0.00 0.00 56.01 56.21 1do9 n LEU 79 Cb 0.64 -1.48 0.03 0.00 -0.11 0.00 0.00 43.42 42.50 1do9 n LEU 79 CO 0.31 -1.76 0.31 1.41 -1.51 0.00 0.00 177.39 176.15 1do9 n HIS 80 N -2.96 0.19 0.28 -1.77 8.25 -0.32 -4.64 115.22 114.25 1do9 n HIS 80 Ca 0.13 0.50 0.17 0.00 -0.26 0.00 0.00 57.72 58.27 1do9 n HIS 80 Cb 0.50 -2.08 0.72 0.00 1.12 0.00 0.00 29.99 30.25 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 0.77 0.00 0.00 -0.41 0.13 -1.91 -1.27 132.00 129.31 1do9 h PRO 81 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1do9 h PRO 81 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1do9 h PRO 81 CO 0.51 0.02 -0.82 0.38 -0.23 0.00 0.00 178.00 177.86 1do9 h ASP 82 N 0.00 0.00 0.17 1.44 3.04 -1.91 -3.35 116.42 115.80 1do9 h ASP 82 Ca -0.00 -0.16 0.00 0.00 -3.24 0.00 0.00 57.03 53.63 1do9 h ASP 82 Cb 0.48 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.77 1do9 h ASP 82 CO 0.00 0.08 0.00 -0.78 -2.04 0.00 0.00 179.24 176.50 1do9 h ASP 83 N 0.00 0.00 -0.95 4.15 3.58 -1.56 0.11 116.42 121.76 1do9 h ASP 83 Ca 0.00 0.00 0.09 0.00 0.42 0.00 0.00 57.03 57.54 1do9 h ASP 83 Cb 0.84 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.82 1do9 h ASP 83 CO 0.00 0.00 0.61 -0.09 -2.88 0.00 0.00 179.24 176.88 1do9 h ARG 84 N 0.00 0.97 0.00 0.28 2.43 -1.70 -3.42 114.38 112.94 1do9 h ARG 84 Ca 0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1do9 h ARG 84 Cb 0.08 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 1do9 h ARG 84 CO 0.00 0.64 0.00 0.43 -1.51 0.00 0.00 179.97 179.53 1do9 n SER 85 N -4.54 0.00 -1.26 -3.80 7.64 -1.02 -5.07 113.62 105.59 1do9 n SER 85 Ca 0.16 0.00 0.02 0.00 1.01 0.00 0.00 58.87 60.06 1do9 n SER 85 Cb 0.27 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 1do9 n SER 85 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1do9 n LYS 86 N 0.00 0.00 -1.50 1.43 5.02 0.36 -5.00 118.16 118.46 1do9 n LYS 86 Ca 0.00 -1.65 -0.40 0.00 -2.02 0.00 0.00 58.31 54.24 1do9 n LYS 86 Cb 0.00 0.01 -0.02 0.00 -0.02 0.00 0.00 35.03 35.00 1do9 n LYS 86 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1do9 n LEU 87 N 0.34 7.65 -2.76 -0.35 4.77 -1.21 -4.53 117.00 120.90 1do9 n LEU 87 Ca -0.00 -4.19 -0.09 0.00 -0.03 0.00 0.00 56.01 51.70 1do9 n LEU 87 Cb 1.00 -1.59 0.05 0.00 -2.33 0.00 0.00 43.42 40.55 1do9 n LEU 87 CO -0.05 1.51 0.19 -0.24 -1.33 0.00 0.00 177.39 177.47 1do9 n SER 88 N 4.94 -2.76 -4.67 -1.43 2.88 -1.26 -5.12 113.62 106.19 1do9 n SER 88 Ca 0.64 -3.31 -0.42 0.00 -1.33 0.00 0.00 58.87 54.45 1do9 n SER 88 Cb 0.31 1.76 -0.03 0.00 -0.75 0.00 0.00 64.21 65.50 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 0.60 4.17 0.72 -1.46 -2.85 -1.26 -5.00 119.74 114.66 1do9 s LYS 89 Ca 0.31 2.39 -0.12 0.00 -1.00 0.00 0.00 55.97 57.55 1do9 s LYS 89 Cb 0.23 -3.94 0.17 0.00 -2.06 0.00 0.00 37.83 32.24 1do9 s LYS 89 CO -0.23 -0.86 0.74 -0.35 0.10 0.00 0.00 175.35 174.75 1do9 n PRO 90 N 6.86 -1.82 -1.86 1.78 -0.04 -1.26 -5.00 135.00 133.66 1do9 n PRO 90 Ca 0.18 -1.17 -0.37 0.00 -0.04 0.00 0.00 63.50 62.09 1do9 n PRO 90 Cb 0.41 -0.97 0.04 0.00 -0.04 0.00 0.00 33.50 32.94 1do9 n PRO 90 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1do9 s MET 91 N -4.66 3.02 0.31 0.54 1.75 -1.26 -5.05 119.30 113.96 1do9 s MET 91 Ca 0.46 2.08 0.03 0.00 -1.25 0.00 0.00 55.69 57.01 1do9 s MET 91 Cb -0.03 -2.11 -0.06 0.00 2.84 0.00 0.00 34.83 35.46 1do9 s MET 91 CO 0.34 -1.23 0.07 -2.00 -0.65 0.00 0.00 175.02 171.54 1do9 s GLU 92 N -3.08 1.60 2.04 4.11 -6.30 -1.26 -5.10 118.70 110.72 1do9 s GLU 92 Ca 0.75 -1.89 0.00 0.00 -2.50 0.00 0.00 54.97 51.33 1do9 s GLU 92 Cb -0.37 -0.75 0.00 0.00 0.00 0.00 0.00 34.13 33.01 1do9 s GLU 92 CO 0.42 -0.21 0.00 -2.37 0.02 0.00 0.00 175.26 173.12 1do9 n THR 93 N -0.64 0.00 -0.23 -1.70 5.66 -1.26 -5.33 114.28 110.78 1do9 n THR 93 Ca -0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 1do9 n THR 93 Cb 0.67 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.45 1do9 n THR 93 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91