#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 2.45 -3.99 -1.24 5.02 -1.26 -4.87 118.16 114.27 1do9 n LYS 2 Ca 0.00 -2.53 -0.10 0.00 -2.02 0.00 0.00 58.31 53.67 1do9 n LYS 2 Cb 0.00 -2.16 -0.06 0.00 -0.02 0.00 0.00 35.03 32.79 1do9 n LYS 2 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1do9 s ASP 3 N 0.10 -0.04 0.00 4.39 -1.08 -1.26 -5.18 116.67 113.61 1do9 s ASP 3 Ca 0.57 -0.93 0.00 0.00 -0.52 0.00 0.00 52.55 51.67 1do9 s ASP 3 Cb 0.39 0.52 0.00 0.00 -1.46 0.00 0.00 42.92 42.37 1do9 s ASP 3 CO -0.25 -1.03 0.00 0.52 0.52 0.00 0.00 175.17 174.93 1do9 n VAL 4 N -0.32 0.00 -3.43 1.11 0.31 -1.26 -5.10 118.33 109.64 1do9 n VAL 4 Ca -0.03 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.03 1do9 n VAL 4 Cb 0.63 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.46 1do9 n VAL 4 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1do9 n LYS 5 N 0.00 0.46 -2.47 5.55 3.00 -1.26 -5.02 118.16 118.43 1do9 n LYS 5 Ca 0.00 -3.36 -0.39 0.00 -0.00 0.00 0.00 58.31 54.57 1do9 n LYS 5 Cb 0.00 -1.71 -0.03 0.00 0.00 0.00 0.00 35.03 33.29 1do9 n LYS 5 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1do9 s TYR 6 N -0.28 2.38 0.38 5.64 2.02 -1.25 -1.69 117.35 124.55 1do9 s TYR 6 Ca 0.32 -0.53 -0.07 0.00 -0.37 0.00 0.00 57.07 56.42 1do9 s TYR 6 Cb 0.04 -4.58 -0.05 0.00 -0.40 0.00 0.00 41.96 36.97 1do9 s TYR 6 CO -0.19 -1.92 0.70 0.71 -1.57 0.00 0.00 175.55 173.29 1do9 s TYR 7 N 5.94 3.49 0.41 2.71 2.02 -0.54 -4.77 117.35 126.62 1do9 s TYR 7 Ca 0.50 0.86 -0.02 0.00 -0.37 0.00 0.00 57.07 58.04 1do9 s TYR 7 Cb -0.02 -2.30 -0.03 0.00 -0.40 0.00 0.00 41.96 39.22 1do9 s TYR 7 CO -0.07 -0.05 0.66 0.95 -1.57 0.00 0.00 175.55 175.47 1do9 s THR 8 N -2.35 4.88 0.24 -0.71 -4.23 -1.26 -1.18 115.64 111.02 1do9 s THR 8 Ca 0.48 -0.22 -0.07 0.00 -1.18 0.00 0.00 61.69 60.70 1do9 s THR 8 Cb -0.10 -3.81 0.23 0.00 1.34 0.00 0.00 72.50 70.16 1do9 s THR 8 CO 0.34 -0.64 1.91 -0.07 -0.54 0.00 0.00 174.62 175.62 1do9 h LEU 9 N 0.50 1.06 -0.93 4.79 -0.00 -1.98 -1.70 115.31 117.04 1do9 h LEU 9 Ca -0.48 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.37 1do9 h LEU 9 Cb 1.22 -0.26 -0.04 0.00 -0.00 0.00 0.00 40.66 41.58 1do9 h LEU 9 CO 0.61 0.76 0.54 -0.08 -0.00 0.00 0.00 178.44 180.27 1do9 h GLU 10 N 1.25 1.28 -0.54 1.13 4.57 -1.98 -1.33 114.58 118.96 1do9 h GLU 10 Ca 0.35 -0.13 -0.08 0.00 -1.18 0.00 0.00 59.36 58.33 1do9 h GLU 10 Cb -0.11 -0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 28.20 1do9 h GLU 10 CO -0.09 0.91 0.03 1.49 -1.18 0.00 0.00 179.01 180.17 1do9 h GLU 11 N 1.29 0.93 -0.71 1.92 4.57 -1.73 -0.39 114.58 120.45 1do9 h GLU 11 Ca 0.33 -0.28 0.02 0.00 -1.18 0.00 0.00 59.36 58.25 1do9 h GLU 11 Cb -0.03 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.43 1do9 h GLU 11 CO -0.06 0.93 0.46 0.82 -1.18 0.00 0.00 179.01 179.98 1do9 h ILE 12 N 0.80 1.15 0.00 2.32 2.04 -0.71 0.44 117.51 123.56 1do9 h ILE 12 Ca 0.16 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1do9 h ILE 12 Cb 0.49 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1do9 h ILE 12 CO 0.02 0.17 0.00 0.11 0.00 0.00 0.00 178.15 178.45 1do9 h LYS 13 N 0.93 0.00 0.00 2.37 1.57 -0.89 -1.84 116.57 118.71 1do9 h LYS 13 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1do9 h LYS 13 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1do9 h LYS 13 CO -0.08 0.00 0.00 1.17 -0.57 0.00 0.00 179.45 179.97 1do9 n LYS 14 N -3.01 0.09 -3.53 3.15 4.81 0.14 -4.14 118.16 115.67 1do9 n LYS 14 Ca 0.01 0.40 -0.29 0.00 -0.87 0.00 0.00 58.31 57.56 1do9 n LYS 14 Cb 0.32 -1.69 -0.13 0.00 0.02 0.00 0.00 35.03 33.54 1do9 n LYS 14 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1do9 s HIS 15 N -3.19 0.72 0.00 5.64 0.09 -0.69 -4.90 115.29 112.96 1do9 s HIS 15 Ca 0.04 -1.42 0.00 0.00 -0.00 0.00 0.00 55.06 53.68 1do9 s HIS 15 Cb 0.07 -1.03 0.00 0.00 -0.00 0.00 0.00 32.58 31.63 1do9 s HIS 15 CO 0.26 -0.83 0.69 0.27 -0.00 0.00 0.00 174.74 175.12 1do9 n ASN 16 N 4.50 0.83 -4.79 1.40 0.23 -1.09 -2.41 115.26 113.93 1do9 n ASN 16 Ca 0.04 -1.40 -0.29 0.00 -0.53 0.00 0.00 54.58 52.40 1do9 n ASN 16 Cb 0.39 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.03 1do9 n ASN 16 CO 0.00 0.00 0.00 -1.00 -0.93 0.00 0.00 177.26 175.33 1do9 s HIS 17 N -0.40 2.01 -0.91 -2.53 0.09 -1.20 -4.75 115.29 107.61 1do9 s HIS 17 Ca 0.00 -0.82 -0.23 0.00 -0.00 0.00 0.00 55.06 54.01 1do9 s HIS 17 Cb 0.00 -1.79 -0.15 0.00 -0.00 0.00 0.00 32.58 30.64 1do9 s HIS 17 CO 0.00 0.03 1.91 -1.13 -0.00 0.00 0.00 174.74 175.55 1do9 n SER 18 N -1.38 2.62 0.00 1.40 3.41 -1.26 -2.12 113.62 116.29 1do9 n SER 18 Ca -0.09 -2.67 0.00 0.00 -0.26 0.00 0.00 58.87 55.85 1do9 n SER 18 Cb 0.66 -1.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 1do9 n SER 18 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1do9 n LYS 19 N 7.64 0.00 -3.27 4.33 0.00 -1.26 -5.00 118.16 120.61 1do9 n LYS 19 Ca 0.47 0.00 -0.12 0.00 0.00 0.00 0.00 58.31 58.66 1do9 n LYS 19 Cb 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.41 1do9 n LYS 19 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1do9 s SER 20 N -1.31 0.23 -1.31 3.14 0.01 -0.98 -4.91 113.70 108.57 1do9 s SER 20 Ca 0.00 -1.50 -0.18 0.00 1.31 0.00 0.00 55.95 55.58 1do9 s SER 20 Cb 0.00 0.99 0.06 0.00 0.21 0.00 0.00 66.02 67.27 1do9 s SER 20 CO 0.00 -0.21 1.80 0.41 0.41 0.00 0.00 173.24 175.65 1do9 n THR 21 N 4.06 3.77 -1.56 1.44 -1.04 -0.90 -2.68 114.28 117.37 1do9 n THR 21 Ca 0.13 -3.86 -0.29 0.00 -2.04 0.00 0.00 64.05 57.99 1do9 n THR 21 Cb 0.49 -2.37 0.16 0.00 -1.82 0.00 0.00 70.33 66.79 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 4.52 2.08 0.03 -1.42 0.52 -1.01 -1.29 118.94 122.36 1do9 s TRP 22 Ca 0.54 0.70 -0.28 0.00 0.02 0.00 0.00 56.10 57.08 1do9 s TRP 22 Cb 0.05 -3.53 0.10 0.00 -1.15 0.00 0.00 33.47 28.93 1do9 s TRP 22 CO 0.07 -2.61 1.06 -0.48 0.02 0.00 0.00 176.95 175.00 1do9 s LEU 23 N -6.12 -0.18 -0.22 2.99 0.05 -0.87 -0.94 118.68 113.39 1do9 s LEU 23 Ca 0.67 -0.20 -0.05 0.00 0.05 0.00 0.00 54.13 54.60 1do9 s LEU 23 Cb -0.12 1.84 -0.02 0.00 -2.05 0.00 0.00 46.19 45.84 1do9 s LEU 23 CO 0.53 -0.61 0.01 -0.63 -0.55 0.00 0.00 176.35 175.11 1do9 s ILE 24 N -2.93 3.93 -0.12 1.48 1.01 -0.41 -1.45 121.20 122.72 1do9 s ILE 24 Ca 0.11 -0.31 0.01 0.00 0.00 0.00 0.00 60.65 60.46 1do9 s ILE 24 Cb 0.00 -2.80 0.02 0.00 0.01 0.00 0.00 42.46 39.69 1do9 s ILE 24 CO -0.03 0.41 -0.13 -0.76 0.00 0.00 0.00 174.94 174.42 1do9 s LEU 25 N 1.24 1.62 -1.05 2.97 1.43 -1.01 -1.09 118.68 122.79 1do9 s LEU 25 Ca 0.04 -0.42 -0.14 0.00 -1.03 0.00 0.00 54.13 52.58 1do9 s LEU 25 Cb -0.15 -1.06 -0.02 0.00 0.03 0.00 0.00 46.19 45.00 1do9 s LEU 25 CO 0.01 -0.02 0.79 1.41 0.23 0.00 0.00 176.35 178.77 1do9 n HIS 26 N 4.45 -2.14 -3.69 0.29 8.25 -1.26 -1.78 115.22 119.34 1do9 n HIS 26 Ca -0.18 0.63 -0.28 0.00 -0.26 0.00 0.00 57.72 57.64 1do9 n HIS 26 Cb 0.51 -3.57 -0.06 0.00 1.12 0.00 0.00 29.99 27.99 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 -3.60 -0.84 -4.48 4.41 8.25 -1.26 -4.97 115.22 112.74 1do9 n HIS 27 Ca -0.10 0.47 -0.23 0.00 -0.26 0.00 0.00 57.72 57.60 1do9 n HIS 27 Cb 0.59 -1.52 -0.10 0.00 1.12 0.00 0.00 29.99 30.08 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 -5.62 1.75 -0.12 -0.41 3.01 -0.74 -4.26 119.74 113.35 1do9 s LYS 28 Ca 0.40 -2.01 0.03 0.00 -1.01 0.00 0.00 55.97 53.38 1do9 s LYS 28 Cb -0.23 -0.77 0.01 0.00 -1.01 0.00 0.00 37.83 35.82 1do9 s LYS 28 CO 0.72 -0.30 -0.21 0.08 0.51 0.00 0.00 175.35 176.15 1do9 s VAL 29 N -3.28 1.95 0.24 3.17 1.01 -0.58 -2.41 120.40 120.50 1do9 s VAL 29 Ca 0.31 -0.93 0.11 0.00 0.00 0.00 0.00 61.98 61.48 1do9 s VAL 29 Cb 0.06 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 1do9 s VAL 29 CO 0.15 0.53 -0.21 -0.31 0.00 0.00 0.00 175.10 175.26 1do9 s TYR 30 N 0.70 2.33 -0.18 5.22 1.51 -0.53 -1.04 117.35 125.36 1do9 s TYR 30 Ca -0.11 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.62 1do9 s TYR 30 Cb -0.16 -1.08 0.04 0.00 -0.11 0.00 0.00 41.96 40.65 1do9 s TYR 30 CO 0.01 0.61 -0.08 0.34 -1.11 0.00 0.00 175.55 175.32 1do9 s ASP 31 N -3.10 3.08 0.00 2.29 -1.08 -0.40 -2.05 116.67 115.40 1do9 s ASP 31 Ca 0.26 -0.76 0.12 0.00 -0.52 0.00 0.00 52.55 51.64 1do9 s ASP 31 Cb -0.07 -1.06 0.32 0.00 -1.46 0.00 0.00 42.92 40.66 1do9 s ASP 31 CO 0.13 -0.16 1.26 0.18 0.52 0.00 0.00 175.17 177.10 1do9 n LEU 32 N 4.79 2.97 -0.26 -1.34 4.77 -0.41 -4.72 117.00 122.80 1do9 n LEU 32 Ca -0.13 -1.96 0.07 0.00 -0.03 0.00 0.00 56.01 53.95 1do9 n LEU 32 Cb 0.47 -0.24 0.20 0.00 -2.33 0.00 0.00 43.42 41.52 1do9 n LEU 32 CO 0.18 0.74 0.95 0.74 -1.33 0.00 0.00 177.39 178.66 1do9 h THR 33 N 2.22 0.50 0.00 -5.08 2.02 -1.91 0.93 112.91 111.58 1do9 h THR 33 Ca 0.00 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1do9 h THR 33 Cb 0.74 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1do9 h THR 33 CO 0.00 0.05 -0.02 1.17 0.37 0.00 0.00 175.52 177.09 1do9 n LYS 34 N -5.15 0.11 0.00 6.66 0.00 -1.26 -2.99 118.16 115.53 1do9 n LYS 34 Ca 0.15 0.08 0.09 0.00 0.00 0.00 0.00 58.31 58.64 1do9 n LYS 34 Cb 0.48 -1.62 -0.04 0.00 0.00 0.00 0.00 35.03 33.85 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 -1.81 0.00 -0.23 5.64 7.35 -0.07 -4.45 117.46 123.90 1do9 n PHE 35 Ca 0.06 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.79 1do9 n PHE 35 Cb 0.38 0.00 0.15 0.00 0.35 0.00 0.00 39.48 40.35 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 1.37 -0.07 -1.55 -2.13 3.38 -0.81 -0.58 115.31 114.93 1do9 h LEU 36 Ca 0.00 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1do9 h LEU 36 Cb 0.58 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.54 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 -5.19 1.99 -0.00 1.13 1.02 -1.26 -3.77 120.64 114.56 1do9 n GLU 37 Ca 0.12 -1.52 0.04 0.00 -0.02 0.00 0.00 57.16 55.78 1do9 n GLU 37 Cb 0.41 -1.37 -0.05 0.00 -0.02 0.00 0.00 31.44 30.41 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 0.73 4.08 -1.98 3.49 1.02 -0.30 -5.00 120.64 122.68 1do9 n GLU 38 Ca 0.16 -0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.88 1do9 n GLU 38 Cb 0.38 -0.91 -0.02 0.00 -0.02 0.00 0.00 31.44 30.87 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 -1.82 3.00 -1.49 -0.32 2.46 -0.77 -4.89 115.29 111.45 1do9 s HIS 39 Ca 0.03 0.97 0.16 0.00 0.47 0.00 0.00 55.06 56.69 1do9 s HIS 39 Cb 0.06 -3.85 0.82 0.00 -0.13 0.00 0.00 32.58 29.48 1do9 s HIS 39 CO 0.34 -2.82 1.44 -0.35 -2.47 0.00 0.00 174.74 170.89 1do9 n PRO 40 N 2.47 0.26 0.00 2.88 -0.04 -1.26 -4.20 135.00 135.10 1do9 n PRO 40 Ca 0.08 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 1do9 n PRO 40 Cb 0.40 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 1do9 n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1do9 n GLY 41 N 0.05 0.30 2.55 0.55 0.00 -1.26 -5.10 105.19 102.28 1do9 n GLY 41 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 0.62 -0.25 -0.02 0.00 -1.26 -4.88 107.32 101.53 1do9 s GLY 42 Ca 0.00 -1.29 -0.00 0.00 0.00 0.00 0.00 44.72 43.42 1do9 s GLY 42 CO 0.00 2.03 -0.19 -1.84 0.00 0.00 0.00 173.10 173.10 1do9 n GLU 43 N 4.98 0.65 -0.04 2.90 0.28 -1.26 -4.46 120.64 123.70 1do9 n GLU 43 Ca -0.02 0.17 -0.16 0.00 -0.16 0.00 0.00 57.16 56.99 1do9 n GLU 43 Cb 0.41 -1.53 -0.07 0.00 1.43 0.00 0.00 31.44 31.67 1do9 n GLU 43 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 177.13 178.02 1do9 h GLU 44 N -0.09 0.62 -0.16 3.44 4.11 -1.92 -0.76 114.58 119.82 1do9 h GLU 44 Ca -0.58 -0.47 0.05 0.00 0.07 0.00 0.00 59.36 58.43 1do9 h GLU 44 Cb 1.88 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 31.21 1do9 h GLU 44 CO -0.11 1.09 0.27 -0.39 0.07 0.00 0.00 179.01 179.94 1do9 h VAL 45 N 0.27 0.25 -0.02 -1.06 -1.51 -1.93 -0.98 116.25 111.27 1do9 h VAL 45 Ca -0.02 0.00 -0.19 0.00 -1.23 0.00 0.00 66.70 65.26 1do9 h VAL 45 Cb 1.15 0.77 -0.01 0.00 -2.13 0.00 0.00 31.29 31.07 1do9 h VAL 45 CO 0.11 0.00 -0.80 -0.07 -1.23 0.00 0.00 177.57 175.58 1do9 h LEU 46 N 0.00 0.30 -0.83 4.19 3.38 -1.35 -2.89 115.31 118.11 1do9 h LEU 46 Ca 0.07 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1do9 h LEU 46 Cb 0.61 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1do9 h LEU 46 CO -0.00 0.98 -0.12 0.03 0.09 0.00 0.00 178.44 179.42 1do9 h ARG 47 N 0.15 0.00 0.00 1.13 3.08 -1.15 -1.84 114.38 115.75 1do9 h ARG 47 Ca -0.04 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1do9 h ARG 47 Cb 1.40 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.45 1do9 h ARG 47 CO 0.13 0.12 -0.02 0.93 -1.07 0.00 0.00 179.97 180.06 1do9 h GLU 48 N 0.00 0.00 0.00 0.04 5.08 -1.28 -3.12 114.58 115.29 1do9 h GLU 48 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1do9 h GLU 48 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1do9 h GLU 48 CO 0.02 0.02 0.00 1.04 -1.00 0.00 0.00 179.01 179.08 1do9 n GLN 49 N -3.12 0.30 -1.91 2.33 1.13 -1.06 -4.99 117.38 110.06 1do9 n GLN 49 Ca 0.00 -0.82 -0.41 0.00 -1.94 0.00 0.00 57.00 53.84 1do9 n GLN 49 Cb 0.29 -0.99 -0.01 0.00 0.11 0.00 0.00 30.24 29.64 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 -0.32 3.59 -1.22 -1.58 0.00 -0.72 -1.24 121.76 120.27 1do9 s ALA 50 Ca 0.00 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.42 1do9 s ALA 50 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1do9 s ALA 50 CO 0.00 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.28 1do9 n GLY 51 N 1.05 1.11 3.43 0.00 0.00 -0.12 -4.75 105.19 105.90 1do9 n GLY 51 Ca 0.03 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 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 0.11 3.07 3.53 -0.02 0.00 -0.37 -4.17 105.19 107.34 1do9 n GLY 52 Ca -0.11 -2.04 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 1do9 n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1do9 s ASP 53 N -3.54 6.23 0.00 1.61 2.15 -1.26 -1.29 116.67 120.57 1do9 s ASP 53 Ca 0.29 -0.46 0.29 0.00 0.43 0.00 0.00 52.55 53.10 1do9 s ASP 53 Cb 0.01 -2.52 1.25 0.00 -0.30 0.00 0.00 42.92 41.37 1do9 s ASP 53 CO 0.21 -1.64 1.88 0.00 -0.17 0.00 0.00 175.17 175.44 1do9 n ALA 54 N 8.70 2.73 -0.14 3.66 0.00 -0.25 -4.36 120.51 130.85 1do9 n ALA 54 Ca 0.02 -0.24 0.01 0.00 0.00 0.00 0.00 53.44 53.23 1do9 n ALA 54 Cb 0.48 -1.36 0.28 0.00 0.00 0.00 0.00 19.45 18.85 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 0.43 1.18 -0.15 0.00 2.02 -1.87 0.36 112.91 114.89 1do9 h THR 55 Ca 0.00 -0.42 0.04 0.00 0.77 0.00 0.00 66.41 66.80 1do9 h THR 55 Cb 0.35 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.05 1do9 h THR 55 CO 0.00 0.19 -0.12 -0.33 0.37 0.00 0.00 175.52 175.64 1do9 h GLU 56 N 0.85 -0.12 -0.57 6.66 4.39 -1.92 -1.43 114.58 122.43 1do9 h GLU 56 Ca 0.22 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.87 1do9 h GLU 56 Cb -0.01 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 1do9 h GLU 56 CO -0.04 -0.08 0.11 -0.97 -1.16 0.00 0.00 179.01 176.86 1do9 h ASN 57 N -0.13 0.85 -0.09 1.42 -0.00 -1.38 -1.21 115.58 115.05 1do9 h ASN 57 Ca 0.09 -0.18 0.03 0.00 -0.00 0.00 0.00 56.30 56.24 1do9 h ASN 57 Cb 0.26 -0.22 -0.03 0.00 -0.00 0.00 0.00 38.32 38.33 1do9 h ASN 57 CO -0.23 0.86 -0.08 0.15 -0.00 0.00 0.00 177.43 178.13 1do9 h PHE 58 N 0.86 -0.20 -0.44 0.67 3.57 -0.28 -2.06 116.94 119.07 1do9 h PHE 58 Ca 0.18 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.56 1do9 h PHE 58 Cb 0.36 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1do9 h PHE 58 CO 0.02 -0.13 -0.25 0.93 -2.23 0.00 0.00 178.31 176.66 1do9 h GLU 59 N -0.10 0.92 -0.36 1.11 4.39 -1.09 -2.57 114.58 116.89 1do9 h GLU 59 Ca 0.06 -0.41 -0.05 0.00 0.34 0.00 0.00 59.36 59.30 1do9 h GLU 59 Cb 0.19 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 1do9 h GLU 59 CO -0.15 1.06 -0.01 0.22 -1.16 0.00 0.00 179.01 178.98 1do9 h ASP 60 N 0.79 0.53 0.46 1.42 3.58 -1.07 -0.96 116.42 121.17 1do9 h ASP 60 Ca 0.10 -0.11 -0.16 0.00 0.42 0.00 0.00 57.03 57.28 1do9 h ASP 60 Cb 0.82 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.71 1do9 h ASP 60 CO 0.07 0.61 -0.68 0.58 -2.88 0.00 0.00 179.24 176.94 1do9 h VAL 61 N 0.54 1.42 -2.34 2.25 2.07 -1.30 -3.48 116.25 115.41 1do9 h VAL 61 Ca 0.11 -2.17 -0.10 0.00 0.82 0.00 0.00 66.70 65.36 1do9 h VAL 61 Cb 0.36 2.14 0.04 0.00 -1.52 0.00 0.00 31.29 32.31 1do9 h VAL 61 CO 0.01 0.64 -0.18 0.61 0.02 0.00 0.00 177.57 178.67 1do9 n GLY 62 N 0.43 0.52 3.54 2.17 0.00 -0.37 -4.95 105.19 106.53 1do9 n GLY 62 Ca -0.02 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.90 0.56 -1.11 1.61 8.25 -1.24 -4.98 115.22 115.42 1do9 n HIS 63 Ca -0.01 0.66 -0.30 0.00 -0.26 0.00 0.00 57.72 57.81 1do9 n HIS 63 Cb 0.52 -2.14 0.14 0.00 1.12 0.00 0.00 29.99 29.63 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 -0.76 3.48 0.24 0.41 0.01 -1.26 -4.81 113.70 111.01 1do9 s SER 64 Ca 0.62 1.66 -0.06 0.00 1.31 0.00 0.00 55.95 59.47 1do9 s SER 64 Cb -0.65 -2.31 0.25 0.00 0.21 0.00 0.00 66.02 63.51 1do9 s SER 64 CO 0.58 -2.66 1.91 0.74 0.41 0.00 0.00 173.24 174.22 1do9 h THR 65 N -1.56 1.26 -0.18 1.44 2.02 -1.99 -1.54 112.91 112.36 1do9 h THR 65 Ca -0.48 -0.51 -0.02 0.00 0.77 0.00 0.00 66.41 66.17 1do9 h THR 65 Cb 1.27 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1do9 h THR 65 CO 0.52 0.26 0.03 0.44 0.37 0.00 0.00 175.52 177.14 1do9 h ASP 66 N 1.34 0.22 -0.18 4.18 5.19 -1.99 0.57 116.42 125.75 1do9 h ASP 66 Ca 0.36 -0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.68 1do9 h ASP 66 Cb -0.11 -0.06 -0.00 0.00 0.18 0.00 0.00 39.33 39.34 1do9 h ASP 66 CO -0.07 0.24 -0.14 0.00 -3.12 0.00 0.00 179.24 176.15 1do9 h ALA 67 N 1.79 0.26 0.00 3.45 0.00 -1.67 -1.05 119.26 122.05 1do9 h ALA 67 Ca 0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1do9 h ALA 67 Cb 0.12 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1do9 h ALA 67 CO -0.00 0.14 -0.03 0.00 0.00 0.00 0.00 179.25 179.35 1do9 h ARG 68 N 0.09 0.00 0.22 0.00 3.08 -0.34 -1.30 114.38 116.12 1do9 h ARG 68 Ca 0.04 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.76 1do9 h ARG 68 Cb 0.65 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.73 1do9 h ARG 68 CO 0.04 0.03 -1.47 0.93 -1.07 0.00 0.00 179.97 178.43 1do9 h GLU 69 N 0.00 0.46 -0.08 0.04 4.39 -0.67 -3.08 114.58 115.64 1do9 h GLU 69 Ca -0.00 -0.79 0.02 0.00 0.34 0.00 0.00 59.36 58.94 1do9 h GLU 69 Cb 0.11 0.29 -0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1do9 h GLU 69 CO 0.00 1.38 0.09 -0.07 -1.16 0.00 0.00 179.01 179.25 1do9 h LEU 70 N 0.05 0.00 -1.13 1.33 3.38 -0.83 0.19 115.31 118.29 1do9 h LEU 70 Ca -0.27 0.00 0.19 0.00 0.09 0.00 0.00 57.88 57.88 1do9 h LEU 70 Cb 2.07 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.72 1do9 h LEU 70 CO 0.22 0.00 0.61 0.28 0.09 0.00 0.00 178.44 179.65 1do9 h SER 71 N 0.00 0.71 0.66 -0.43 0.02 -1.15 -2.05 113.55 111.31 1do9 h SER 71 Ca 0.04 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1do9 h SER 71 Cb 0.22 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1do9 h SER 71 CO -0.00 0.28 0.00 1.17 -1.14 0.00 0.00 176.83 177.13 1do9 n LYS 72 N -4.68 0.13 -0.03 3.45 4.81 0.05 -1.56 118.16 120.33 1do9 n LYS 72 Ca 0.22 0.37 0.09 0.00 -0.87 0.00 0.00 58.31 58.11 1do9 n LYS 72 Cb 0.58 -1.75 0.09 0.00 0.02 0.00 0.00 35.03 33.97 1do9 n LYS 72 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1do9 n THR 73 N -2.00 0.09 0.12 3.15 5.66 -0.78 -4.52 114.28 116.01 1do9 n THR 73 Ca 0.03 -0.55 0.02 0.00 -3.05 0.00 0.00 64.05 60.50 1do9 n THR 73 Cb 0.21 1.29 -0.02 0.00 -1.55 0.00 0.00 70.33 70.26 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 1.01 0.00 -1.84 1.09 3.72 -0.60 -4.96 117.46 115.89 1do9 n PHE 74 Ca 0.11 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.09 1do9 n PHE 74 Cb 0.45 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.95 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 -1.46 3.30 -1.33 4.37 2.07 -0.82 -1.28 121.20 126.05 1do9 s ILE 75 Ca 0.01 0.34 0.19 0.00 -1.41 0.00 0.00 60.65 59.78 1do9 s ILE 75 Cb 0.02 -3.29 -0.11 0.00 0.13 0.00 0.00 42.46 39.21 1do9 s ILE 75 CO 0.13 -0.11 0.89 2.30 -1.91 0.00 0.00 174.94 176.24 1do9 n ILE 76 N 6.44 0.00 -2.89 2.00 -6.64 -0.20 -4.93 119.36 113.13 1do9 n ILE 76 Ca 0.22 -0.17 0.00 0.00 -1.77 0.00 0.00 62.75 61.03 1do9 n ILE 76 Cb 0.44 1.11 0.00 0.00 -1.44 0.00 0.00 39.64 39.75 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 1.38 -0.56 3.35 3.28 0.00 -0.92 -4.56 105.19 107.16 1do9 n GLY 77 Ca 0.06 -0.75 -0.21 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.79 1.75 0.26 1.61 -1.05 -0.68 -1.52 118.70 118.28 1do9 s GLU 78 Ca 0.00 -2.03 0.09 0.00 -0.15 0.00 0.00 54.97 52.88 1do9 s GLU 78 Cb 0.00 0.01 -0.04 0.00 -0.44 0.00 0.00 34.13 33.66 1do9 s GLU 78 CO 0.00 -0.57 0.01 -0.48 0.95 0.00 0.00 175.26 175.17 1do9 s LEU 79 N -3.43 3.24 0.42 1.83 2.34 -1.26 -1.46 118.68 120.37 1do9 s LEU 79 Ca 0.35 -0.60 -0.24 0.00 0.06 0.00 0.00 54.13 53.71 1do9 s LEU 79 Cb 0.03 -1.78 -0.11 0.00 -0.56 0.00 0.00 46.19 43.77 1do9 s LEU 79 CO 0.22 0.01 0.92 1.41 -1.06 0.00 0.00 176.35 177.85 1do9 n HIS 80 N -0.84 0.86 0.89 3.48 8.25 -0.33 -4.83 115.22 122.69 1do9 n HIS 80 Ca -0.07 0.57 0.09 0.00 -0.26 0.00 0.00 57.72 58.05 1do9 n HIS 80 Cb 0.59 -2.18 0.46 0.00 1.12 0.00 0.00 29.99 29.97 1do9 n HIS 80 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1do9 n PRO 81 N 0.19 0.32 -0.04 -0.41 -0.04 -1.26 -2.75 135.00 131.01 1do9 n PRO 81 Ca 0.10 0.09 -0.11 0.00 -0.04 0.00 0.00 63.50 63.55 1do9 n PRO 81 Cb 0.39 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.28 1do9 n PRO 81 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1do9 h ASP 82 N 0.00 -1.29 -0.39 3.54 3.32 -1.89 -1.78 116.42 117.94 1do9 h ASP 82 Ca 0.00 0.16 -0.24 0.00 0.02 0.00 0.00 57.03 56.97 1do9 h ASP 82 Cb 0.12 0.51 -0.12 0.00 0.22 0.00 0.00 39.33 40.07 1do9 h ASP 82 CO 0.00 -0.33 0.31 -0.67 -1.72 0.00 0.00 179.24 176.83 1do9 n ASP 83 N -4.63 5.17 0.00 6.45 2.03 -1.11 -1.09 116.55 123.37 1do9 n ASP 83 Ca -0.04 -2.83 0.00 0.00 0.52 0.00 0.00 54.79 52.44 1do9 n ASP 83 Cb 0.26 -0.91 0.00 0.00 -0.72 0.00 0.00 41.12 39.76 1do9 n ASP 83 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1do9 n ARG 84 N 0.29 0.00 0.00 -0.67 0.00 -0.77 -4.94 116.66 110.57 1do9 n ARG 84 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.09 1do9 n ARG 84 Cb 0.71 -0.86 0.00 0.00 0.00 0.00 0.00 32.46 32.31 1do9 n ARG 84 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1do9 n SER 85 N -2.32 0.00 -3.55 6.15 7.64 -0.74 -5.05 113.62 115.76 1do9 n SER 85 Ca 0.00 -1.00 -0.28 0.00 1.01 0.00 0.00 58.87 58.60 1do9 n SER 85 Cb 0.39 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.47 1do9 n SER 85 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1do9 s LYS 86 N 0.00 1.07 0.38 1.43 1.02 -0.25 -5.04 119.74 118.35 1do9 s LYS 86 Ca 0.00 -1.98 0.03 0.00 0.02 0.00 0.00 55.97 54.04 1do9 s LYS 86 Cb 0.00 -1.84 -0.01 0.00 -0.52 0.00 0.00 37.83 35.46 1do9 s LYS 86 CO 0.00 -1.26 0.13 1.28 -0.92 0.00 0.00 175.35 174.57 1do9 n LEU 87 N 3.29 0.00 0.00 3.17 4.77 -1.25 -4.46 117.00 122.51 1do9 n LEU 87 Ca 0.18 -2.86 0.00 0.00 -0.03 0.00 0.00 56.01 53.30 1do9 n LEU 87 Cb 0.40 0.91 0.00 0.00 -2.33 0.00 0.00 43.42 42.40 1do9 n LEU 87 CO 0.16 -0.44 0.00 -0.24 -1.33 0.00 0.00 177.39 175.54 1do9 n SER 88 N -1.55 0.00 -3.48 -1.43 2.88 -1.26 -3.75 113.62 105.03 1do9 n SER 88 Ca -0.06 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.21 1do9 n SER 88 Cb 0.56 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.92 1do9 n SER 88 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1do9 n LYS 89 N 0.00 0.83 0.00 -1.46 3.00 -1.26 -4.99 118.16 114.28 1do9 n LYS 89 Ca 0.00 -3.60 0.00 0.00 -0.00 0.00 0.00 58.31 54.71 1do9 n LYS 89 Cb 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 35.03 33.25 1do9 n LYS 89 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1do9 n PRO 90 N 2.25 0.58 -4.30 1.64 -0.04 -1.25 -4.79 135.00 129.08 1do9 n PRO 90 Ca 0.26 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.54 1do9 n PRO 90 Cb 0.45 -1.00 -0.09 0.00 -0.04 0.00 0.00 33.50 32.82 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 -1.99 1.57 0.01 0.54 0.00 -1.26 -5.00 119.30 113.17 1do9 s MET 91 Ca 0.00 -1.89 -0.06 0.00 0.00 0.00 0.00 55.69 53.74 1do9 s MET 91 Cb 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 34.83 34.87 1do9 s MET 91 CO 0.00 -0.49 -0.11 -1.91 0.00 0.00 0.00 175.02 172.51 1do9 n GLU 92 N -0.54 0.17 -3.55 4.11 2.13 -1.26 -5.07 120.64 116.63 1do9 n GLU 92 Ca 0.03 0.07 -0.21 0.00 0.66 0.00 0.00 57.16 57.70 1do9 n GLU 92 Cb 0.64 -0.79 0.01 0.00 0.27 0.00 0.00 31.44 31.57 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 -3.80 -5.26 0.00 6.31 -2.24 -1.26 -5.23 114.28 102.81 1do9 n THR 93 Ca -0.04 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1do9 n THR 93 Cb 0.16 -4.09 0.00 0.00 -2.10 0.00 0.00 70.33 64.30 1do9 n THR 93 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39