#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 1.08 2.50 0.11 0.00 -1.26 -5.14 119.74 117.04 1do9 s LYS 2 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 55.97 54.98 1do9 s LYS 2 Cb 0.00 0.40 0.00 0.00 0.00 0.00 0.00 37.83 38.23 1do9 s LYS 2 CO 0.00 -0.40 0.00 -0.25 0.00 0.00 0.00 175.35 174.70 1do9 n ASP 3 N -0.19 -1.83 0.00 0.03 8.00 -1.26 -4.76 116.55 116.54 1do9 n ASP 3 Ca -0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.39 1do9 n ASP 3 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 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 0.00 0.00 -3.21 2.53 0.31 -1.26 -5.03 118.33 111.67 1do9 n VAL 4 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.09 1do9 n VAL 4 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 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 0.60 -3.75 5.55 4.76 -1.26 -5.08 118.16 118.98 1do9 n LYS 5 Ca 0.00 -3.14 -0.36 0.00 -2.87 0.00 0.00 58.31 51.93 1do9 n LYS 5 Cb 0.00 -1.32 -0.11 0.00 -1.84 0.00 0.00 35.03 31.76 1do9 n LYS 5 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1do9 s TYR 6 N -0.83 3.52 0.01 2.13 1.51 -1.26 -0.82 117.35 121.61 1do9 s TYR 6 Ca 0.34 -2.49 -0.17 0.00 -1.01 0.00 0.00 57.07 53.75 1do9 s TYR 6 Cb 0.14 -3.23 -0.06 0.00 -0.11 0.00 0.00 41.96 38.70 1do9 s TYR 6 CO -0.13 -0.93 0.48 0.71 -1.11 0.00 0.00 175.55 174.56 1do9 s TYR 7 N 0.75 3.72 0.47 2.71 2.02 -0.74 -4.45 117.35 121.83 1do9 s TYR 7 Ca 0.11 1.08 -0.19 0.00 -0.37 0.00 0.00 57.07 57.69 1do9 s TYR 7 Cb -0.22 -2.40 -0.09 0.00 -0.40 0.00 0.00 41.96 38.84 1do9 s TYR 7 CO -0.04 0.55 0.98 0.95 -1.57 0.00 0.00 175.55 176.42 1do9 s THR 8 N -0.81 4.33 0.32 -0.71 -4.23 -1.26 -0.35 115.64 112.93 1do9 s THR 8 Ca 0.26 1.33 0.05 0.00 -1.18 0.00 0.00 61.69 62.16 1do9 s THR 8 Cb -0.17 -3.60 0.30 0.00 1.34 0.00 0.00 72.50 70.37 1do9 s THR 8 CO 0.15 -0.43 1.84 -0.07 -0.54 0.00 0.00 174.62 175.57 1do9 h LEU 9 N 1.50 0.78 -1.55 4.79 -0.00 -1.97 0.09 115.31 118.95 1do9 h LEU 9 Ca -0.48 0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 57.44 1do9 h LEU 9 Cb 1.19 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 41.73 1do9 h LEU 9 CO 0.61 0.39 0.16 1.05 -0.00 0.00 0.00 178.44 180.65 1do9 h GLU 10 N 0.83 0.47 0.04 1.13 4.11 -1.97 -0.68 114.58 118.50 1do9 h GLU 10 Ca 0.49 -0.05 -0.19 0.00 0.07 0.00 0.00 59.36 59.68 1do9 h GLU 10 Cb 0.65 -0.10 0.02 0.00 0.50 0.00 0.00 28.75 29.82 1do9 h GLU 10 CO -0.25 0.37 -0.76 1.49 0.07 0.00 0.00 179.01 179.93 1do9 h GLU 11 N 0.47 0.44 -0.58 1.06 4.57 -1.48 -3.11 114.58 115.96 1do9 h GLU 11 Ca 0.12 -0.53 -0.06 0.00 -1.18 0.00 0.00 59.36 57.71 1do9 h GLU 11 Cb 0.05 0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.78 1do9 h GLU 11 CO -0.02 1.18 0.12 0.82 -1.18 0.00 0.00 179.01 179.94 1do9 h ILE 12 N -0.07 1.24 0.00 2.32 2.04 -0.71 -0.05 117.51 122.28 1do9 h ILE 12 Ca -0.11 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 64.87 1do9 h ILE 12 Cb 1.48 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 1do9 h ILE 12 CO 0.15 0.33 0.00 0.29 0.00 0.00 0.00 178.15 178.92 1do9 n LYS 13 N -4.26 0.12 0.00 2.37 5.02 -0.29 -2.14 118.16 118.98 1do9 n LYS 13 Ca 0.04 0.13 0.12 0.00 -2.02 0.00 0.00 58.31 56.58 1do9 n LYS 13 Cb 0.24 -1.50 0.57 0.00 -0.02 0.00 0.00 35.03 34.33 1do9 n LYS 13 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1do9 n LYS 14 N -1.41 0.26 0.00 1.97 3.00 -0.03 -4.77 118.16 117.18 1do9 n LYS 14 Ca 0.07 0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 1do9 n LYS 14 Cb 0.20 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.73 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 -1.33 0.00 -1.03 5.64 8.25 -0.91 -4.88 115.22 120.96 1do9 n HIS 15 Ca 0.10 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.55 1do9 n HIS 15 Cb 0.21 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.31 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 0.00 -3.16 -4.81 0.41 3.02 -1.26 -4.97 115.26 104.50 1do9 n ASN 16 Ca 0.00 0.02 -0.22 0.00 -0.03 0.00 0.00 54.58 54.35 1do9 n ASN 16 Cb 0.00 -0.74 -0.05 0.00 -0.61 0.00 0.00 39.78 38.39 1do9 n ASN 16 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1do9 s HIS 17 N -2.02 2.88 -0.03 3.10 3.76 -1.26 -4.99 115.29 116.74 1do9 s HIS 17 Ca 0.00 -0.28 -0.05 0.00 -0.15 0.00 0.00 55.06 54.58 1do9 s HIS 17 Cb 0.00 -1.65 -0.20 0.00 1.11 0.00 0.00 32.58 31.84 1do9 s HIS 17 CO 0.00 0.31 3.29 0.45 -0.85 0.00 0.00 174.74 177.94 1do9 n SER 18 N -1.25 5.34 0.00 1.40 2.88 -1.26 -2.89 113.62 117.83 1do9 n SER 18 Ca -0.04 -2.52 0.00 0.00 -1.33 0.00 0.00 58.87 54.99 1do9 n SER 18 Cb 0.60 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.70 1do9 n SER 18 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1do9 n LYS 19 N 2.21 0.06 -2.91 -1.46 2.85 -1.26 -4.98 118.16 112.67 1do9 n LYS 19 Ca 0.36 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.49 1do9 n LYS 19 Cb 0.82 -0.04 0.03 0.00 -0.65 0.00 0.00 35.03 35.20 1do9 n LYS 19 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1do9 n SER 20 N -0.44 -0.31 -4.55 -5.58 7.64 -1.21 -4.91 113.62 104.27 1do9 n SER 20 Ca 0.00 -3.10 -0.30 0.00 1.01 0.00 0.00 58.87 56.48 1do9 n SER 20 Cb 0.00 0.33 -0.05 0.00 -1.01 0.00 0.00 64.21 63.48 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 0.14 -0.06 -2.70 0.44 -1.04 -1.14 -4.18 114.28 105.74 1do9 n THR 21 Ca 0.13 -0.68 -0.21 0.00 -2.04 0.00 0.00 64.05 61.25 1do9 n THR 21 Cb 0.72 -2.44 0.03 0.00 -1.82 0.00 0.00 70.33 66.83 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 12.59 2.91 0.09 -1.42 0.52 -1.26 -1.06 118.94 131.30 1do9 s TRP 22 Ca 0.99 0.01 -0.27 0.00 0.02 0.00 0.00 56.10 56.86 1do9 s TRP 22 Cb -0.23 -2.68 0.09 0.00 -1.15 0.00 0.00 33.47 29.50 1do9 s TRP 22 CO 0.23 -0.78 1.10 -0.48 0.02 0.00 0.00 176.95 177.04 1do9 s LEU 23 N -4.72 -0.11 -0.26 2.99 0.05 -1.02 -1.15 118.68 114.46 1do9 s LEU 23 Ca 0.56 -0.32 0.02 0.00 0.05 0.00 0.00 54.13 54.43 1do9 s LEU 23 Cb -0.10 1.84 0.05 0.00 -2.05 0.00 0.00 46.19 45.93 1do9 s LEU 23 CO 0.38 -0.67 -0.09 -0.63 -0.55 0.00 0.00 176.35 174.79 1do9 s ILE 24 N -2.82 2.37 -0.46 1.48 1.01 -0.05 -1.54 121.20 121.19 1do9 s ILE 24 Ca 0.14 -1.52 0.04 0.00 0.00 0.00 0.00 60.65 59.31 1do9 s ILE 24 Cb 0.01 -2.36 0.12 0.00 0.01 0.00 0.00 42.46 40.24 1do9 s ILE 24 CO 0.00 -0.00 0.19 -0.76 0.00 0.00 0.00 174.94 174.37 1do9 s LEU 25 N 1.15 4.53 -0.18 2.97 1.43 -0.79 -2.29 118.68 125.51 1do9 s LEU 25 Ca -0.07 -2.68 -0.06 0.00 -1.03 0.00 0.00 54.13 50.28 1do9 s LEU 25 Cb -0.19 -1.65 0.01 0.00 0.03 0.00 0.00 46.19 44.38 1do9 s LEU 25 CO -0.05 -0.30 0.25 1.41 0.23 0.00 0.00 176.35 177.89 1do9 n HIS 26 N 3.56 -1.42 -3.01 0.29 8.25 -1.26 -4.12 115.22 117.50 1do9 n HIS 26 Ca 0.05 0.57 -0.20 0.00 -0.26 0.00 0.00 57.72 57.88 1do9 n HIS 26 Cb 0.36 -2.56 -0.04 0.00 1.12 0.00 0.00 29.99 28.87 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 -0.44 -0.93 -3.95 4.41 1.44 -1.26 -4.89 115.22 109.60 1do9 n HIS 27 Ca 0.05 0.32 -0.09 0.00 -2.01 0.00 0.00 57.72 55.99 1do9 n HIS 27 Cb 0.20 -1.06 -0.10 0.00 0.12 0.00 0.00 29.99 29.15 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 -4.58 0.53 -0.14 -1.40 1.02 -1.26 -4.36 119.74 109.55 1do9 s LYS 28 Ca 0.39 -0.74 -0.02 0.00 0.02 0.00 0.00 55.97 55.62 1do9 s LYS 28 Cb -0.23 0.21 -0.02 0.00 -0.52 0.00 0.00 37.83 37.27 1do9 s LYS 28 CO 0.48 -0.12 -0.08 0.08 -0.92 0.00 0.00 175.35 174.79 1do9 s VAL 29 N -2.43 3.54 0.25 3.17 1.01 -0.41 -1.89 120.40 123.64 1do9 s VAL 29 Ca -0.07 -0.49 0.10 0.00 0.00 0.00 0.00 61.98 61.52 1do9 s VAL 29 Cb -0.02 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 1do9 s VAL 29 CO -0.04 0.51 -0.16 -0.31 0.00 0.00 0.00 175.10 175.10 1do9 s TYR 30 N 0.34 2.03 -0.33 5.22 1.51 -0.59 -1.07 117.35 124.47 1do9 s TYR 30 Ca -0.07 -0.47 -0.00 0.00 -1.01 0.00 0.00 57.07 55.51 1do9 s TYR 30 Cb -0.15 -0.95 0.11 0.00 -0.11 0.00 0.00 41.96 40.86 1do9 s TYR 30 CO 0.04 0.52 0.12 0.34 -1.11 0.00 0.00 175.55 175.46 1do9 s ASP 31 N -3.43 3.95 -0.11 2.29 -1.08 -0.30 -2.43 116.67 115.56 1do9 s ASP 31 Ca 0.27 -1.77 0.17 0.00 -0.52 0.00 0.00 52.55 50.70 1do9 s ASP 31 Cb -0.02 -0.87 0.68 0.00 -1.46 0.00 0.00 42.92 41.25 1do9 s ASP 31 CO 0.11 -0.40 1.57 0.18 0.52 0.00 0.00 175.17 177.16 1do9 n LEU 32 N 4.67 4.53 -0.13 -1.34 4.77 -0.23 -4.60 117.00 124.67 1do9 n LEU 32 Ca -0.00 -2.29 -0.04 0.00 -0.03 0.00 0.00 56.01 53.65 1do9 n LEU 32 Cb 0.41 -0.57 0.04 0.00 -2.33 0.00 0.00 43.42 40.97 1do9 n LEU 32 CO 0.13 0.74 0.87 0.00 -1.33 0.00 0.00 177.39 177.80 1do9 h THR 33 N 3.79 0.71 -0.00 -5.08 1.03 -1.89 0.30 112.91 111.77 1do9 h THR 33 Ca 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 66.41 66.35 1do9 h THR 33 Cb 1.41 0.55 0.00 0.00 -1.07 0.00 0.00 68.15 69.04 1do9 h THR 33 CO 0.24 0.03 -0.01 1.17 -0.01 0.00 0.00 175.52 176.94 1do9 n LYS 34 N -5.17 0.80 0.00 0.00 4.81 -1.26 -2.81 118.16 114.53 1do9 n LYS 34 Ca 0.03 -0.04 0.05 0.00 -0.87 0.00 0.00 58.31 57.48 1do9 n LYS 34 Cb 0.22 -1.50 -0.02 0.00 0.02 0.00 0.00 35.03 33.75 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 -1.07 0.00 0.00 5.64 7.35 -0.07 -4.52 117.46 124.79 1do9 n PHE 35 Ca 0.20 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.89 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 -0.64 0.00 0.00 -2.13 4.77 0.85 0.59 117.00 120.45 1do9 n LEU 36 Ca 0.03 0.57 0.09 0.00 -0.03 0.00 0.00 56.01 56.67 1do9 n LEU 36 Cb 0.19 -0.07 0.44 0.00 -2.33 0.00 0.00 43.42 41.65 1do9 n LEU 36 CO 0.16 -0.07 0.77 -0.62 -1.33 0.00 0.00 177.39 176.29 1do9 n GLU 37 N -1.03 0.21 -0.07 3.23 -0.58 -1.26 -2.24 120.64 118.91 1do9 n GLU 37 Ca 0.00 0.13 0.12 0.00 -0.42 0.00 0.00 57.16 56.99 1do9 n GLU 37 Cb 0.00 -1.50 0.22 0.00 -0.57 0.00 0.00 31.44 29.59 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 -1.32 2.24 -3.31 3.49 1.02 -0.91 -4.93 120.64 116.92 1do9 n GLU 38 Ca 0.08 -1.84 -0.39 0.00 -0.02 0.00 0.00 57.16 54.99 1do9 n GLU 38 Cb 0.15 -1.47 -0.07 0.00 -0.02 0.00 0.00 31.44 30.03 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 -1.81 3.39 -0.57 -0.32 2.46 0.20 -4.95 115.29 113.69 1do9 s HIS 39 Ca 0.33 0.72 -0.27 0.00 0.47 0.00 0.00 55.06 56.32 1do9 s HIS 39 Cb 0.21 -2.60 -0.02 0.00 -0.13 0.00 0.00 32.58 30.04 1do9 s HIS 39 CO 0.31 -0.04 1.84 -1.25 -2.47 0.00 0.00 174.74 173.13 1do9 s PRO 40 N 1.40 2.76 0.00 2.88 0.04 -1.26 -3.77 135.00 137.04 1do9 s PRO 40 Ca 0.22 0.74 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1do9 s PRO 40 Cb -0.15 -4.35 0.00 0.00 0.04 0.00 0.00 34.50 30.04 1do9 s PRO 40 CO 0.09 -2.57 0.00 0.41 0.04 0.00 0.00 177.00 174.97 1do9 n GLY 41 N 5.64 0.58 3.49 0.56 0.00 -1.26 -5.09 105.19 109.11 1do9 n GLY 41 Ca 0.21 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.44 -0.00 -0.02 0.00 -1.25 -5.04 107.32 100.57 1do9 s GLY 42 Ca 0.00 1.66 -0.15 0.00 0.00 0.00 0.00 44.72 46.23 1do9 s GLY 42 CO 0.00 1.43 0.87 1.05 0.00 0.00 0.00 173.10 176.45 1do9 h GLU 43 N 5.20 0.47 -0.12 2.90 -0.00 -1.81 -3.32 114.58 117.90 1do9 h GLU 43 Ca -0.28 -0.81 -0.09 0.00 -0.00 0.00 0.00 59.36 58.18 1do9 h GLU 43 Cb 1.17 0.30 -0.01 0.00 -0.00 0.00 0.00 28.75 30.21 1do9 h GLU 43 CO 0.13 1.39 -0.32 1.49 -0.00 0.00 0.00 179.01 181.71 1do9 h GLU 44 N 0.08 0.23 -0.22 1.06 4.57 -1.96 0.39 114.58 118.73 1do9 h GLU 44 Ca -0.28 -0.09 -0.07 0.00 -1.18 0.00 0.00 59.36 57.74 1do9 h GLU 44 Cb 2.10 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 30.66 1do9 h GLU 44 CO 0.23 0.53 -0.17 -0.39 -1.18 0.00 0.00 179.01 178.03 1do9 h VAL 45 N 0.20 1.22 0.00 0.32 -1.51 -1.99 0.11 116.25 114.61 1do9 h VAL 45 Ca 0.03 -1.02 -0.01 0.00 -1.23 0.00 0.00 66.70 64.47 1do9 h VAL 45 Cb 0.67 1.25 -0.00 0.00 -2.13 0.00 0.00 31.29 31.08 1do9 h VAL 45 CO 0.05 0.32 -0.04 -0.07 -1.23 0.00 0.00 177.57 176.60 1do9 h LEU 46 N 0.34 0.00 0.00 4.19 3.38 -0.33 -2.21 115.31 120.69 1do9 h LEU 46 Ca 0.06 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.82 1do9 h LEU 46 Cb 0.50 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1do9 h LEU 46 CO 0.03 0.04 -1.01 -0.09 0.09 0.00 0.00 178.44 177.50 1do9 h ARG 47 N 0.00 0.00 0.00 1.13 2.43 -0.56 -3.05 114.38 114.33 1do9 h ARG 47 Ca -0.00 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1do9 h ARG 47 Cb 0.31 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1do9 h ARG 47 CO 0.01 1.00 -0.15 0.93 -1.51 0.00 0.00 179.97 180.25 1do9 h GLU 48 N 0.00 0.00 -0.15 0.20 5.08 -0.36 -2.21 114.58 117.14 1do9 h GLU 48 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1do9 h GLU 48 Cb 1.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.02 1do9 h GLU 48 CO 0.13 0.15 0.00 1.04 -1.00 0.00 0.00 179.01 179.33 1do9 n GLN 49 N -3.41 2.22 -1.56 2.33 1.13 -1.23 -5.03 117.38 111.83 1do9 n GLN 49 Ca -0.01 -1.58 -0.37 0.00 -1.94 0.00 0.00 57.00 53.10 1do9 n GLN 49 Cb 0.33 -1.14 0.07 0.00 0.11 0.00 0.00 30.24 29.62 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 0.12 0.43 -1.33 -1.58 0.00 -0.83 -1.99 120.51 115.32 1do9 n ALA 50 Ca 0.06 -0.07 -0.12 0.00 0.00 0.00 0.00 53.44 53.30 1do9 n ALA 50 Cb 0.30 -2.20 -0.05 0.00 0.00 0.00 0.00 19.45 17.50 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 1.05 1.15 3.41 0.00 0.00 -0.30 -4.86 105.19 105.64 1do9 n GLY 51 Ca 0.14 0.00 -0.13 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 0.16 1.81 3.55 -0.02 0.00 -0.84 -4.09 105.19 105.75 1do9 n GLY 52 Ca -0.12 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 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 -3.10 6.70 0.00 1.61 1.47 -1.26 -0.87 116.67 121.22 1do9 s ASP 53 Ca 0.25 -2.06 0.25 0.00 1.18 0.00 0.00 52.55 52.17 1do9 s ASP 53 Cb -0.02 -2.55 1.46 0.00 -0.34 0.00 0.00 42.92 41.48 1do9 s ASP 53 CO 0.18 -1.26 1.86 0.00 0.68 0.00 0.00 175.17 176.63 1do9 n ALA 54 N 8.20 2.41 0.10 2.11 0.00 -0.97 -3.85 120.51 128.51 1do9 n ALA 54 Ca 0.39 -0.15 0.07 0.00 0.00 0.00 0.00 53.44 53.75 1do9 n ALA 54 Cb 0.48 -1.41 0.53 0.00 0.00 0.00 0.00 19.45 19.06 1do9 n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1do9 h THR 55 N 0.00 1.03 -0.79 0.00 2.02 -1.87 0.27 112.91 113.57 1do9 h THR 55 Ca 0.00 -0.10 0.02 0.00 0.77 0.00 0.00 66.41 67.11 1do9 h THR 55 Cb 0.04 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 1do9 h THR 55 CO 0.00 0.05 0.51 1.05 0.37 0.00 0.00 175.52 177.50 1do9 h GLU 56 N 0.28 0.98 0.24 6.66 4.11 -1.93 -1.45 114.58 123.47 1do9 h GLU 56 Ca 0.10 -0.06 -0.01 0.00 0.07 0.00 0.00 59.36 59.46 1do9 h GLU 56 Cb 0.07 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1do9 h GLU 56 CO -0.02 0.65 -0.12 -0.91 0.07 0.00 0.00 179.01 178.68 1do9 h ASN 57 N 1.01 -0.28 -0.99 3.06 2.35 -1.26 -1.31 115.58 118.17 1do9 h ASN 57 Ca 0.30 -0.24 0.20 0.00 -0.55 0.00 0.00 56.30 56.01 1do9 h ASN 57 Cb -0.04 0.07 -0.11 0.00 0.05 0.00 0.00 38.32 38.29 1do9 h ASN 57 CO -0.09 0.14 0.58 0.15 -1.65 0.00 0.00 177.43 176.57 1do9 h PHE 58 N -0.76 1.02 0.13 1.19 3.04 -1.24 -0.54 116.94 119.78 1do9 h PHE 58 Ca -0.03 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.95 1do9 h PHE 58 Cb 0.50 -0.30 0.00 0.00 2.56 0.00 0.00 35.95 38.71 1do9 h PHE 58 CO 0.04 0.18 -0.06 0.93 -2.02 0.00 0.00 178.31 177.38 1do9 h GLU 59 N 0.70 -0.17 -0.16 1.11 4.39 -1.21 -2.90 114.58 116.33 1do9 h GLU 59 Ca 0.58 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 60.28 1do9 h GLU 59 Cb 0.96 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.64 1do9 h GLU 59 CO -0.41 0.27 0.03 0.22 -1.16 0.00 0.00 179.01 177.96 1do9 h ASP 60 N -0.72 0.20 -0.57 1.42 1.82 -0.71 -0.04 116.42 117.83 1do9 h ASP 60 Ca -0.02 -0.02 -0.08 0.00 -0.39 0.00 0.00 57.03 56.53 1do9 h ASP 60 Cb 0.52 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 40.46 1do9 h ASP 60 CO 0.03 0.23 0.06 0.58 -1.61 0.00 0.00 179.24 178.53 1do9 h VAL 61 N 0.23 1.26 -1.29 2.25 2.07 -1.18 -3.48 116.25 116.11 1do9 h VAL 61 Ca 0.06 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1do9 h VAL 61 Cb 0.12 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1do9 h VAL 61 CO -0.00 0.37 0.00 0.61 0.02 0.00 0.00 177.57 178.57 1do9 n GLY 62 N -0.49 0.77 3.39 2.17 0.00 -0.03 -4.98 105.19 106.03 1do9 n GLY 62 Ca 0.02 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.86 -1.53 -1.36 1.61 8.25 -1.23 -4.99 115.22 114.12 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 0.47 -1.82 0.14 0.00 1.12 0.00 0.00 29.99 29.90 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 -1.52 3.37 0.16 0.41 1.04 -1.26 -4.91 113.70 110.99 1do9 s SER 64 Ca 0.60 1.19 -0.06 0.00 0.48 0.00 0.00 55.95 58.16 1do9 s SER 64 Cb -0.31 -1.85 0.02 0.00 0.10 0.00 0.00 66.02 63.99 1do9 s SER 64 CO 0.63 -2.66 1.45 0.74 0.98 0.00 0.00 173.24 174.38 1do9 h THR 65 N -1.57 1.31 -0.61 2.02 2.02 -1.98 -2.52 112.91 111.57 1do9 h THR 65 Ca -0.51 -1.83 0.07 0.00 0.77 0.00 0.00 66.41 64.91 1do9 h THR 65 Cb 1.31 1.78 -0.04 0.00 -1.74 0.00 0.00 68.15 69.47 1do9 h THR 65 CO 0.59 0.58 0.41 0.44 0.37 0.00 0.00 175.52 177.90 1do9 h ASP 66 N 0.50 0.50 -0.16 4.18 5.19 -2.00 0.62 116.42 125.24 1do9 h ASP 66 Ca 0.00 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.26 1do9 h ASP 66 Cb 1.16 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.56 1do9 h ASP 66 CO 0.12 0.32 -0.45 0.00 -3.12 0.00 0.00 179.24 176.11 1do9 h ALA 67 N 1.67 0.68 0.00 3.45 0.00 -1.87 -1.94 119.26 121.25 1do9 h ALA 67 Ca 0.27 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1do9 h ALA 67 Cb 0.34 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1do9 h ALA 67 CO -0.08 0.67 0.00 -0.09 0.00 0.00 0.00 179.25 179.75 1do9 h ARG 68 N 0.58 0.00 0.05 0.00 2.43 -0.49 -2.86 114.38 114.09 1do9 h ARG 68 Ca 0.04 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.90 1do9 h ARG 68 Cb 1.00 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.52 1do9 h ARG 68 CO 0.09 0.00 -1.71 0.39 -1.51 0.00 0.00 179.97 177.23 1do9 n GLU 69 N -2.30 0.64 0.18 0.20 1.02 -0.69 -4.17 120.64 115.52 1do9 n GLU 69 Ca -0.00 0.41 0.16 0.00 -0.02 0.00 0.00 57.16 57.71 1do9 n GLU 69 Cb 0.11 -1.70 0.77 0.00 -0.02 0.00 0.00 31.44 30.60 1do9 n GLU 69 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1do9 h LEU 70 N -0.57 0.00 -1.39 -4.62 -0.00 -1.31 0.84 115.31 108.26 1do9 h LEU 70 Ca -0.42 0.00 0.22 0.00 -0.00 0.00 0.00 57.88 57.68 1do9 h LEU 70 Cb 1.63 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 42.21 1do9 h LEU 70 CO -0.12 0.00 0.63 0.28 -0.00 0.00 0.00 178.44 179.23 1do9 h SER 71 N 0.00 0.48 -0.20 -0.43 0.02 -1.67 0.01 113.55 111.76 1do9 h SER 71 Ca 0.10 0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 1do9 h SER 71 Cb 0.48 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 1do9 h SER 71 CO -0.00 0.16 -0.01 0.50 -1.14 0.00 0.00 176.83 176.34 1do9 h LYS 72 N 0.46 0.48 -0.00 3.45 1.63 -1.03 -0.59 116.57 120.97 1do9 h LYS 72 Ca 0.53 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 60.23 1do9 h LYS 72 Cb 1.25 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 1do9 h LYS 72 CO -0.24 0.51 -0.46 -2.37 -3.45 0.00 0.00 179.45 173.43 1do9 n THR 73 N -4.29 0.00 0.60 1.00 5.66 -0.09 -3.96 114.28 113.20 1do9 n THR 73 Ca 0.01 -0.02 0.10 0.00 -3.05 0.00 0.00 64.05 61.09 1do9 n THR 73 Cb 0.24 0.29 -0.14 0.00 -1.55 0.00 0.00 70.33 69.17 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 -1.34 0.00 -1.81 1.09 3.72 -0.70 -4.88 117.46 113.54 1do9 n PHE 74 Ca 0.07 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.04 1do9 n PHE 74 Cb 0.34 -0.18 -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 0.42 -0.05 0.00 0.00 176.76 177.13 1do9 s ILE 75 N -3.15 3.26 -2.60 4.37 1.01 -0.29 -1.15 121.20 122.65 1do9 s ILE 75 Ca 0.02 0.29 0.24 0.00 0.00 0.00 0.00 60.65 61.19 1do9 s ILE 75 Cb 0.15 -3.27 0.37 0.00 0.01 0.00 0.00 42.46 39.73 1do9 s ILE 75 CO 0.86 -0.12 1.43 2.30 0.00 0.00 0.00 174.94 179.41 1do9 n ILE 76 N 6.68 0.24 0.00 2.92 -5.35 -0.23 -4.94 119.36 118.68 1do9 n ILE 76 Ca 0.23 -0.54 0.00 0.00 -0.27 0.00 0.00 62.75 62.17 1do9 n ILE 76 Cb 0.44 0.97 0.00 0.00 -1.74 0.00 0.00 39.64 39.31 1do9 n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1do9 n GLY 77 N 1.36 0.10 0.00 3.28 0.00 -0.96 -4.87 105.19 104.09 1do9 n GLY 77 Ca 0.17 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 45.05 1do9 n GLY 77 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1do9 n GLU 78 N 0.00 1.73 -4.63 1.61 0.28 0.00 -1.29 120.64 118.33 1do9 n GLU 78 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.70 1do9 n GLU 78 Cb 0.00 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 32.78 1do9 n GLU 78 CO 0.00 0.00 0.00 -0.48 -0.16 0.00 0.00 177.13 176.49 1do9 s LEU 79 N 0.00 2.63 1.01 -1.84 0.05 -1.26 -1.80 118.68 117.47 1do9 s LEU 79 Ca 0.00 -1.48 -0.11 0.00 0.05 0.00 0.00 54.13 52.59 1do9 s LEU 79 Cb 0.00 -0.86 0.20 0.00 -2.05 0.00 0.00 46.19 43.47 1do9 s LEU 79 CO 0.00 -0.65 1.09 -1.00 -0.55 0.00 0.00 176.35 175.24 1do9 s HIS 80 N -2.78 1.61 -2.00 3.48 3.76 0.52 -4.43 115.29 115.45 1do9 s HIS 80 Ca 0.22 1.49 0.11 0.00 -0.15 0.00 0.00 55.06 56.74 1do9 s HIS 80 Cb 0.06 -3.22 0.67 0.00 1.11 0.00 0.00 32.58 31.20 1do9 s HIS 80 CO 0.12 -3.17 1.23 -0.35 -0.85 0.00 0.00 174.74 171.72 1do9 n PRO 81 N -4.46 0.74 -0.12 8.40 -0.04 -1.26 -3.42 135.00 134.85 1do9 n PRO 81 Ca 0.08 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.43 1do9 n PRO 81 Cb 0.53 -1.24 -0.03 0.00 -0.04 0.00 0.00 33.50 32.73 1do9 n PRO 81 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1do9 h ASP 82 N 0.00 0.61 0.07 3.54 3.58 -1.95 -1.85 116.42 120.43 1do9 h ASP 82 Ca 0.00 -0.33 -0.00 0.00 0.42 0.00 0.00 57.03 57.12 1do9 h ASP 82 Cb 0.00 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 40.88 1do9 h ASP 82 CO 0.00 0.79 -0.01 -0.78 -2.88 0.00 0.00 179.24 176.36 1do9 h ASP 83 N 0.42 0.00 -0.07 2.28 1.82 -1.95 -1.20 116.42 117.71 1do9 h ASP 83 Ca 0.09 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.73 1do9 h ASP 83 Cb 0.49 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.50 1do9 h ASP 83 CO 0.02 0.01 0.00 -1.14 -1.61 0.00 0.00 179.24 176.53 1do9 n ARG 84 N -3.49 1.50 -3.37 0.28 0.00 -0.71 -4.94 116.66 105.93 1do9 n ARG 84 Ca -0.03 -0.73 -0.18 0.00 -0.00 0.00 0.00 57.85 56.91 1do9 n ARG 84 Cb 0.10 -1.42 0.07 0.00 0.00 0.00 0.00 32.46 31.21 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 -0.08 -5.14 0.00 6.15 2.88 -0.45 -4.95 113.62 112.03 1do9 n SER 85 Ca 0.18 -0.73 0.00 0.00 -1.33 0.00 0.00 58.87 56.98 1do9 n SER 85 Cb 0.27 -4.90 0.00 0.00 -0.75 0.00 0.00 64.21 58.82 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 -3.60 0.79 -1.60 -1.46 0.00 -1.17 -5.04 118.16 106.08 1do9 n LYS 86 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 58.31 57.74 1do9 n LYS 86 Cb 0.63 -0.64 -0.03 0.00 0.00 0.00 0.00 35.03 34.99 1do9 n LYS 86 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1do9 n LEU 87 N -1.20 3.24 -3.05 3.14 4.77 -1.26 -4.88 117.00 117.77 1do9 n LEU 87 Ca 0.00 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1do9 n LEU 87 Cb 0.14 -1.55 -0.00 0.00 -2.33 0.00 0.00 43.42 39.68 1do9 n LEU 87 CO 0.00 -0.67 0.18 -0.55 -1.33 0.00 0.00 177.39 175.01 1do9 s SER 88 N 8.22 -1.26 -0.39 -1.43 0.15 -1.26 -5.01 113.70 112.71 1do9 s SER 88 Ca 1.01 -0.79 0.05 0.00 0.70 0.00 0.00 55.95 56.92 1do9 s SER 88 Cb -0.36 1.62 0.17 0.00 -1.71 0.00 0.00 66.02 65.74 1do9 s SER 88 CO 0.36 -0.12 0.49 -0.75 1.20 0.00 0.00 173.24 174.42 1do9 s LYS 89 N 1.70 0.73 0.90 5.44 2.36 -1.26 -5.16 119.74 124.45 1do9 s LYS 89 Ca 0.18 -0.62 -0.12 0.00 -2.55 0.00 0.00 55.97 52.86 1do9 s LYS 89 Cb -0.02 -0.37 0.13 0.00 -1.05 0.00 0.00 37.83 36.53 1do9 s LYS 89 CO -0.08 -1.20 1.10 -1.25 1.55 0.00 0.00 175.35 175.47 1do9 s PRO 90 N 1.59 1.19 -0.28 4.03 0.04 -1.26 -5.08 135.00 135.24 1do9 s PRO 90 Ca 0.17 0.70 -0.15 0.00 0.04 0.00 0.00 61.00 61.76 1do9 s PRO 90 Cb -0.10 -1.81 0.09 0.00 0.04 0.00 0.00 34.50 32.71 1do9 s PRO 90 CO -0.04 -2.25 0.66 1.41 0.04 0.00 0.00 177.00 176.82 1do9 s MET 91 N -4.99 0.67 -0.03 4.56 1.75 -1.26 -5.16 119.30 114.83 1do9 s MET 91 Ca 0.63 1.24 -0.04 0.00 -1.25 0.00 0.00 55.69 56.27 1do9 s MET 91 Cb -0.17 0.24 0.01 0.00 2.84 0.00 0.00 34.83 37.75 1do9 s MET 91 CO 0.56 -0.16 0.09 -2.00 -0.65 0.00 0.00 175.02 172.87 1do9 s GLU 92 N 1.83 0.18 0.14 4.11 2.56 -1.26 -5.17 118.70 121.09 1do9 s GLU 92 Ca -0.09 0.00 -0.07 0.00 0.00 0.00 0.00 54.97 54.81 1do9 s GLU 92 Cb -0.06 0.08 -0.02 0.00 2.00 0.00 0.00 34.13 36.13 1do9 s GLU 92 CO -0.19 -0.03 0.20 0.99 -0.56 0.00 0.00 175.26 175.66 1do9 s THR 93 N -0.27 0.10 -1.95 -1.70 2.01 -1.26 -5.36 115.64 107.20 1do9 s THR 93 Ca -0.03 -1.50 0.00 0.00 0.31 0.00 0.00 61.69 60.46 1do9 s THR 93 Cb -0.02 -1.79 0.00 0.00 0.01 0.00 0.00 72.50 70.70 1do9 s THR 93 CO 0.00 -0.43 0.49 -0.11 -0.69 0.00 0.00 174.62 173.88