#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 0.00 -1.97 0.11 4.81 -1.26 -5.07 118.16 114.78 1do9 n LYS 2 Ca 0.00 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.11 1do9 n LYS 2 Cb 0.00 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.07 1do9 n LYS 2 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 1do9 s ASP 3 N -3.66 5.63 0.00 3.14 -4.77 -1.26 -5.06 116.67 110.69 1do9 s ASP 3 Ca 0.00 1.85 0.00 0.00 -3.30 0.00 0.00 52.55 51.10 1do9 s ASP 3 Cb 0.00 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 39.29 1do9 s ASP 3 CO 0.00 -1.28 0.00 0.52 0.70 0.00 0.00 175.17 175.11 1do9 n VAL 4 N -2.14 0.00 -0.09 2.11 0.31 -1.26 -5.10 118.33 112.16 1do9 n VAL 4 Ca 0.09 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.25 1do9 n VAL 4 Cb 0.53 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.36 1do9 n VAL 4 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1do9 h LYS 5 N 0.00 0.00 -4.78 5.55 1.63 -1.94 -3.51 116.57 113.52 1do9 h LYS 5 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1do9 h LYS 5 Cb 0.00 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 1do9 h LYS 5 CO 0.00 0.79 -0.18 0.66 -3.45 0.00 0.00 179.45 177.27 1do9 n TYR 6 N -4.50 -0.70 -4.36 1.91 4.01 -1.26 -4.93 117.16 107.34 1do9 n TYR 6 Ca -0.24 0.41 -0.25 0.00 -0.16 0.00 0.00 57.90 57.66 1do9 n TYR 6 Cb 0.56 -1.42 -0.09 0.00 -0.31 0.00 0.00 39.34 38.07 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 -0.09 2.52 0.18 -0.72 2.02 -0.37 -4.87 117.35 116.02 1do9 s TYR 7 Ca -0.02 -0.27 -0.03 0.00 -0.37 0.00 0.00 57.07 56.39 1do9 s TYR 7 Cb 0.00 -1.17 -0.05 0.00 -0.40 0.00 0.00 41.96 40.35 1do9 s TYR 7 CO 0.04 0.59 0.40 0.95 -1.57 0.00 0.00 175.55 175.96 1do9 s THR 8 N -2.06 5.18 0.38 -0.71 -4.23 -1.26 -1.80 115.64 111.13 1do9 s THR 8 Ca 0.27 -0.17 0.09 0.00 -1.18 0.00 0.00 61.69 60.70 1do9 s THR 8 Cb -0.07 -3.69 0.32 0.00 1.34 0.00 0.00 72.50 70.40 1do9 s THR 8 CO 0.16 -0.10 1.93 -0.07 -0.54 0.00 0.00 174.62 175.99 1do9 h LEU 9 N 2.31 0.58 -0.69 4.79 -0.00 -1.98 0.13 115.31 120.45 1do9 h LEU 9 Ca -0.47 0.02 0.01 0.00 -0.00 0.00 0.00 57.88 57.43 1do9 h LEU 9 Cb 1.18 -0.10 -0.03 0.00 -0.00 0.00 0.00 40.66 41.70 1do9 h LEU 9 CO 0.70 0.34 0.45 -0.33 -0.00 0.00 0.00 178.44 179.60 1do9 h GLU 10 N 0.64 0.90 0.03 1.13 5.08 -1.96 -2.18 114.58 118.23 1do9 h GLU 10 Ca 0.35 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1do9 h GLU 10 Cb 0.52 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1do9 h GLU 10 CO -0.13 0.60 -0.02 1.49 -1.00 0.00 0.00 179.01 179.95 1do9 h GLU 11 N 0.93 -0.04 -0.98 2.33 4.57 -1.14 -2.38 114.58 117.86 1do9 h GLU 11 Ca 0.25 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 58.54 1do9 h GLU 11 Cb -0.11 0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 28.42 1do9 h GLU 11 CO -0.05 0.00 0.62 0.82 -1.18 0.00 0.00 179.01 179.23 1do9 h ILE 12 N -0.08 0.95 0.00 2.32 2.04 -1.26 0.27 117.51 121.74 1do9 h ILE 12 Ca -0.00 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1do9 h ILE 12 Cb 0.07 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.02 1do9 h ILE 12 CO 0.01 0.18 0.00 0.29 0.00 0.00 0.00 178.15 178.63 1do9 n LYS 13 N -4.58 0.85 -0.02 2.37 5.02 -0.84 -2.26 118.16 118.70 1do9 n LYS 13 Ca 0.18 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.48 1do9 n LYS 13 Cb 0.33 -1.21 0.01 0.00 -0.02 0.00 0.00 35.03 34.15 1do9 n LYS 13 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1do9 n LYS 14 N -0.22 2.15 -2.50 1.97 4.01 0.08 -4.79 118.16 118.85 1do9 n LYS 14 Ca 0.00 -1.40 -0.17 0.00 -0.51 0.00 0.00 58.31 56.23 1do9 n LYS 14 Cb 0.10 -0.94 0.02 0.00 -0.51 0.00 0.00 35.03 33.71 1do9 n LYS 14 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1do9 n HIS 15 N -0.48 2.28 -3.59 2.13 8.25 -0.96 -4.91 115.22 117.94 1do9 n HIS 15 Ca 0.02 -2.70 -0.27 0.00 -0.26 0.00 0.00 57.72 54.50 1do9 n HIS 15 Cb 0.35 -0.24 -0.09 0.00 1.12 0.00 0.00 29.99 31.13 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 -0.42 3.40 -3.73 0.41 6.94 -1.23 -1.75 115.26 118.89 1do9 n ASN 16 Ca 0.26 -3.34 -0.16 0.00 -0.02 0.00 0.00 54.58 51.32 1do9 n ASN 16 Cb 0.79 -0.70 -0.09 0.00 -2.36 0.00 0.00 39.78 37.42 1do9 n ASN 16 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 1do9 s HIS 17 N -2.07 1.49 -0.18 -2.53 3.76 -0.14 -5.01 115.29 110.61 1do9 s HIS 17 Ca 0.34 -1.54 0.24 0.00 -0.15 0.00 0.00 55.06 53.96 1do9 s HIS 17 Cb 0.08 -0.64 1.24 0.00 1.11 0.00 0.00 32.58 34.36 1do9 s HIS 17 CO -0.07 -0.77 1.73 1.03 -0.85 0.00 0.00 174.74 175.81 1do9 h SER 18 N 2.35 0.00 -0.03 1.40 0.87 -2.04 -2.33 113.55 113.77 1do9 h SER 18 Ca -0.30 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1do9 h SER 18 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1do9 h SER 18 CO 0.44 0.00 0.00 0.29 -0.53 0.00 0.00 176.83 177.03 1do9 n LYS 19 N -2.34 1.07 -3.62 2.24 5.02 -1.26 -4.93 118.16 114.35 1do9 n LYS 19 Ca -0.01 -1.10 -0.11 0.00 -2.02 0.00 0.00 58.31 55.07 1do9 n LYS 19 Cb 0.08 -1.05 -0.11 0.00 -0.02 0.00 0.00 35.03 33.93 1do9 n LYS 19 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1do9 s SER 20 N -0.57 0.18 -0.62 4.39 0.01 -0.87 -4.96 113.70 111.24 1do9 s SER 20 Ca 0.03 0.65 0.05 0.00 1.31 0.00 0.00 55.95 58.00 1do9 s SER 20 Cb 0.02 0.97 0.20 0.00 0.21 0.00 0.00 66.02 67.42 1do9 s SER 20 CO 0.03 -0.25 0.57 0.41 0.41 0.00 0.00 173.24 174.41 1do9 n THR 21 N 5.37 1.39 -1.70 1.44 -1.04 -1.24 -0.97 114.28 117.53 1do9 n THR 21 Ca -0.07 -4.76 -0.29 0.00 -2.04 0.00 0.00 64.05 56.89 1do9 n THR 21 Cb 0.50 -2.08 0.11 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 -1.64 2.77 0.12 -1.42 0.52 -0.72 -1.23 118.94 117.34 1do9 s TRP 22 Ca 0.32 0.86 -0.25 0.00 0.02 0.00 0.00 56.10 57.05 1do9 s TRP 22 Cb 0.05 -3.37 0.08 0.00 -1.15 0.00 0.00 33.47 29.08 1do9 s TRP 22 CO -0.11 -1.99 1.09 -0.48 0.02 0.00 0.00 176.95 175.48 1do9 s LEU 23 N -5.78 -0.06 -0.54 2.99 0.05 -0.57 -1.01 118.68 113.75 1do9 s LEU 23 Ca 0.62 -0.44 -0.06 0.00 0.05 0.00 0.00 54.13 54.30 1do9 s LEU 23 Cb -0.13 1.89 0.14 0.00 -2.05 0.00 0.00 46.19 46.04 1do9 s LEU 23 CO 0.52 -0.76 0.38 -0.63 -0.55 0.00 0.00 176.35 175.31 1do9 s ILE 24 N -2.55 4.00 -0.07 1.48 1.01 -0.17 -1.62 121.20 123.28 1do9 s ILE 24 Ca 0.18 -2.26 -0.19 0.00 0.00 0.00 0.00 60.65 58.38 1do9 s ILE 24 Cb -0.01 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 38.79 1do9 s ILE 24 CO 0.02 -0.81 0.52 -0.76 0.00 0.00 0.00 174.94 173.90 1do9 s LEU 25 N 0.77 4.33 -0.56 2.97 1.43 -1.23 -2.63 118.68 123.77 1do9 s LEU 25 Ca 0.11 0.95 -0.13 0.00 -1.03 0.00 0.00 54.13 54.03 1do9 s LEU 25 Cb -0.22 -2.77 0.02 0.00 0.03 0.00 0.00 46.19 43.25 1do9 s LEU 25 CO -0.03 0.05 0.52 1.41 0.23 0.00 0.00 176.35 178.53 1do9 n HIS 26 N 3.27 -1.89 -3.24 0.29 8.25 -1.26 -1.42 115.22 119.23 1do9 n HIS 26 Ca -0.07 0.78 -0.17 0.00 -0.26 0.00 0.00 57.72 58.00 1do9 n HIS 26 Cb 0.51 -1.95 -0.04 0.00 1.12 0.00 0.00 29.99 29.63 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 -1.45 -0.59 -4.38 4.41 1.44 -1.26 -4.92 115.22 108.46 1do9 n HIS 27 Ca -0.20 0.31 -0.22 0.00 -2.01 0.00 0.00 57.72 55.60 1do9 n HIS 27 Cb 0.58 -1.19 -0.08 0.00 0.12 0.00 0.00 29.99 29.42 1do9 n HIS 27 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1do9 n LYS 28 N -2.55 0.48 -4.10 -1.40 4.01 -0.50 -3.93 118.16 110.16 1do9 n LYS 28 Ca -0.09 -3.42 -0.33 0.00 -0.51 0.00 0.00 58.31 53.97 1do9 n LYS 28 Cb 0.30 2.39 -0.16 0.00 -0.51 0.00 0.00 35.03 37.04 1do9 n LYS 28 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1do9 s VAL 29 N -3.25 2.04 0.19 -0.18 1.01 -0.93 -3.46 120.40 115.81 1do9 s VAL 29 Ca 0.32 -1.02 0.10 0.00 0.00 0.00 0.00 61.98 61.38 1do9 s VAL 29 Cb 0.02 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1do9 s VAL 29 CO 0.23 0.45 -0.13 -0.31 0.00 0.00 0.00 175.10 175.33 1do9 s TYR 30 N 1.28 2.54 -0.23 5.22 1.51 -0.64 -1.65 117.35 125.38 1do9 s TYR 30 Ca 0.03 -0.26 -0.00 0.00 -1.01 0.00 0.00 57.07 55.82 1do9 s TYR 30 Cb -0.14 -1.23 0.06 0.00 -0.11 0.00 0.00 41.96 40.54 1do9 s TYR 30 CO -0.12 0.52 -0.01 0.34 -1.11 0.00 0.00 175.55 175.17 1do9 s ASP 31 N -2.86 3.57 0.00 2.29 -1.08 -0.13 -1.51 116.67 116.95 1do9 s ASP 31 Ca 0.24 -1.11 0.18 0.00 -0.52 0.00 0.00 52.55 51.35 1do9 s ASP 31 Cb -0.08 -0.98 0.46 0.00 -1.46 0.00 0.00 42.92 40.86 1do9 s ASP 31 CO 0.14 -0.27 1.38 0.18 0.52 0.00 0.00 175.17 177.12 1do9 n LEU 32 N 4.80 3.42 -0.14 -1.34 4.77 -0.37 -4.62 117.00 123.52 1do9 n LEU 32 Ca -0.10 -1.85 -0.04 0.00 -0.03 0.00 0.00 56.01 53.99 1do9 n LEU 32 Cb 0.45 -0.33 0.04 0.00 -2.33 0.00 0.00 43.42 41.24 1do9 n LEU 32 CO 0.16 0.83 0.82 0.00 -1.33 0.00 0.00 177.39 177.87 1do9 h THR 33 N 3.48 0.62 0.00 -5.08 1.03 -1.92 0.71 112.91 111.74 1do9 h THR 33 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 66.41 66.38 1do9 h THR 33 Cb 0.88 0.54 0.00 0.00 -1.07 0.00 0.00 68.15 68.50 1do9 h THR 33 CO 0.00 0.01 0.00 1.17 -0.01 0.00 0.00 175.52 176.69 1do9 n LYS 34 N -5.25 0.68 0.00 0.00 0.00 -1.26 -2.54 118.16 109.78 1do9 n LYS 34 Ca 0.04 0.02 0.04 0.00 0.00 0.00 0.00 58.31 58.40 1do9 n LYS 34 Cb 0.24 -1.50 -0.03 0.00 0.00 0.00 0.00 35.03 33.74 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 -1.10 0.00 0.00 5.64 7.35 -0.02 -4.68 117.46 124.65 1do9 n PHE 35 Ca 0.17 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.83 1do9 n PHE 35 Cb 0.13 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 39.94 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 0.31 -0.37 -1.02 -2.13 3.38 -0.67 0.28 115.31 115.10 1do9 h LEU 36 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1do9 h LEU 36 Cb 0.21 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1do9 h LEU 36 CO 0.00 -0.11 0.00 -0.62 0.09 0.00 0.00 178.44 177.80 1do9 n GLU 37 N -3.17 0.91 0.00 1.13 1.02 -1.26 -3.12 120.64 116.15 1do9 n GLU 37 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1do9 n GLU 37 Cb 0.08 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 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 0.05 -0.18 -3.08 3.49 1.02 -0.42 -5.07 120.64 116.45 1do9 n GLU 38 Ca 0.00 -0.14 -0.40 0.00 -0.02 0.00 0.00 57.16 56.59 1do9 n GLU 38 Cb 0.23 -0.63 -0.05 0.00 -0.02 0.00 0.00 31.44 30.97 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 3.41 -1.05 -0.32 2.46 0.87 -4.98 115.29 115.66 1do9 s HIS 39 Ca 0.00 1.02 -0.23 0.00 0.47 0.00 0.00 55.06 56.32 1do9 s HIS 39 Cb 0.00 -2.83 -0.00 0.00 -0.13 0.00 0.00 32.58 29.62 1do9 s HIS 39 CO 0.00 -0.14 1.75 -1.25 -2.47 0.00 0.00 174.74 172.63 1do9 s PRO 40 N 1.78 3.11 0.00 2.88 0.04 -1.26 -3.95 135.00 137.60 1do9 s PRO 40 Ca 0.31 -0.97 0.00 0.00 0.04 0.00 0.00 61.00 60.38 1do9 s PRO 40 Cb -0.16 -5.26 0.00 0.00 0.04 0.00 0.00 34.50 29.11 1do9 s PRO 40 CO 0.11 -2.92 0.00 0.41 0.04 0.00 0.00 177.00 174.64 1do9 n GLY 41 N 6.46 -1.70 3.58 0.56 0.00 -1.26 -5.13 105.19 107.71 1do9 n GLY 41 Ca 0.40 0.55 -0.14 0.00 0.00 0.00 0.00 46.02 46.83 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 0.10 -0.02 0.00 -1.25 -5.04 107.32 100.59 1do9 s GLY 42 Ca 0.00 1.84 0.03 0.00 0.00 0.00 0.00 44.72 46.59 1do9 s GLY 42 CO 0.00 1.56 1.21 1.05 0.00 0.00 0.00 173.10 176.92 1do9 h GLU 43 N 4.78 0.10 -0.02 2.90 9.09 -1.84 -3.38 114.58 126.21 1do9 h GLU 43 Ca -0.29 -0.17 -0.21 0.00 0.05 0.00 0.00 59.36 58.74 1do9 h GLU 43 Cb 1.16 0.06 -0.00 0.00 -1.65 0.00 0.00 28.75 28.32 1do9 h GLU 43 CO 0.12 1.07 -0.87 1.49 0.05 0.00 0.00 179.01 180.86 1do9 h GLU 44 N 0.03 0.39 -0.07 1.06 4.57 -1.96 -0.23 114.58 118.38 1do9 h GLU 44 Ca -0.06 -0.39 0.02 0.00 -1.18 0.00 0.00 59.36 57.74 1do9 h GLU 44 Cb 1.85 0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 30.54 1do9 h GLU 44 CO 0.16 1.06 0.22 -0.39 -1.18 0.00 0.00 179.01 178.87 1do9 h VAL 45 N 0.24 0.13 0.00 0.32 -1.51 -1.99 0.10 116.25 113.53 1do9 h VAL 45 Ca -0.06 0.00 -0.17 0.00 -1.23 0.00 0.00 66.70 65.24 1do9 h VAL 45 Cb 1.49 0.80 -0.02 0.00 -2.13 0.00 0.00 31.29 31.43 1do9 h VAL 45 CO 0.15 0.00 -0.82 -0.07 -1.23 0.00 0.00 177.57 175.60 1do9 h LEU 46 N 0.00 0.01 0.00 4.19 3.38 -1.20 -3.24 115.31 118.45 1do9 h LEU 46 Ca 0.03 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1do9 h LEU 46 Cb 0.47 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1do9 h LEU 46 CO -0.00 0.82 -0.74 -0.09 0.09 0.00 0.00 178.44 178.52 1do9 h ARG 47 N 0.00 0.00 0.00 1.13 2.43 -0.96 -3.26 114.38 113.72 1do9 h ARG 47 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1do9 h ARG 47 Cb 1.45 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.00 1do9 h ARG 47 CO 0.11 0.26 0.00 0.93 -1.51 0.00 0.00 179.97 179.75 1do9 h GLU 48 N 0.00 0.00 0.00 0.20 4.39 -1.43 -1.69 114.58 116.06 1do9 h GLU 48 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1do9 h GLU 48 Cb 1.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 1do9 h GLU 48 CO 0.04 0.00 -0.00 1.04 -1.16 0.00 0.00 179.01 178.92 1do9 n GLN 49 N -3.05 2.63 -1.67 2.33 1.13 -1.24 -5.02 117.38 112.50 1do9 n GLN 49 Ca -0.03 -1.61 -0.44 0.00 -1.94 0.00 0.00 57.00 52.98 1do9 n GLN 49 Cb 0.09 -1.05 -0.02 0.00 0.11 0.00 0.00 30.24 29.37 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 -0.61 1.02 -1.37 -1.58 0.00 -0.64 -0.78 120.51 116.56 1do9 n ALA 50 Ca 0.02 0.40 -0.14 0.00 0.00 0.00 0.00 53.44 53.72 1do9 n ALA 50 Cb 0.32 -2.25 -0.06 0.00 0.00 0.00 0.00 19.45 17.46 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 1.74 1.30 2.45 0.00 0.00 -0.18 -4.90 105.19 105.60 1do9 n GLY 51 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.01 2.88 3.45 -0.02 0.00 0.04 -4.44 105.19 107.10 1do9 n GLY 52 Ca -0.14 -1.73 -0.44 0.00 0.00 0.00 0.00 46.02 43.71 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 -2.70 6.94 0.00 1.61 -1.08 -1.26 -1.00 116.67 119.19 1do9 s ASP 53 Ca 0.27 -2.72 0.16 0.00 -0.52 0.00 0.00 52.55 49.74 1do9 s ASP 53 Cb 0.01 -2.39 0.84 0.00 -1.46 0.00 0.00 42.92 39.92 1do9 s ASP 53 CO 0.19 -0.83 1.40 0.00 0.52 0.00 0.00 175.17 176.45 1do9 n ALA 54 N 5.81 1.95 0.25 3.66 0.00 -1.08 -3.37 120.51 127.74 1do9 n ALA 54 Ca 0.32 -0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.76 1do9 n ALA 54 Cb 0.45 -1.25 0.64 0.00 0.00 0.00 0.00 19.45 19.29 1do9 n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1do9 h THR 55 N 0.00 0.99 -0.58 0.00 1.03 -1.86 -1.13 112.91 111.36 1do9 h THR 55 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 66.35 1do9 h THR 55 Cb 0.08 0.99 -0.02 0.00 -1.07 0.00 0.00 68.15 68.13 1do9 h THR 55 CO 0.00 0.00 0.18 1.05 -0.01 0.00 0.00 175.52 176.74 1do9 h GLU 56 N 0.00 0.90 -0.02 0.00 -0.00 -1.91 -1.43 114.58 112.11 1do9 h GLU 56 Ca 0.01 -0.20 -0.01 0.00 -0.00 0.00 0.00 59.36 59.16 1do9 h GLU 56 Cb 0.04 -0.13 -0.00 0.00 -0.00 0.00 0.00 28.75 28.66 1do9 h GLU 56 CO -0.00 0.81 -0.03 -0.91 -0.00 0.00 0.00 179.01 178.88 1do9 h ASN 57 N 0.81 0.06 -1.01 3.06 -0.26 -1.51 -1.09 115.58 115.64 1do9 h ASN 57 Ca 0.19 -0.51 0.12 0.00 -0.56 0.00 0.00 56.30 55.53 1do9 h ASN 57 Cb 0.29 -0.02 -0.09 0.00 -1.06 0.00 0.00 38.32 37.45 1do9 h ASN 57 CO -0.00 0.56 0.63 0.15 -1.06 0.00 0.00 177.43 177.71 1do9 h PHE 58 N -0.44 1.15 0.10 1.19 3.04 -1.19 -2.36 116.94 118.44 1do9 h PHE 58 Ca 0.00 0.03 -0.27 0.00 3.98 0.00 0.00 57.97 61.71 1do9 h PHE 58 Cb 0.55 -0.36 -0.01 0.00 2.56 0.00 0.00 35.95 38.69 1do9 h PHE 58 CO 0.10 0.45 -1.31 0.93 -2.02 0.00 0.00 178.31 176.46 1do9 h GLU 59 N 1.00 0.21 -0.76 1.11 4.39 -1.23 0.39 114.58 119.69 1do9 h GLU 59 Ca 0.50 -0.36 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 1do9 h GLU 59 Cb 0.49 0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.24 1do9 h GLU 59 CO -0.27 1.12 0.42 0.22 -1.16 0.00 0.00 179.01 179.34 1do9 h ASP 60 N 0.06 0.94 0.91 1.42 3.58 -0.74 -1.56 116.42 121.04 1do9 h ASP 60 Ca -0.15 -0.09 -0.22 0.00 0.42 0.00 0.00 57.03 56.98 1do9 h ASP 60 Cb 1.96 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 42.73 1do9 h ASP 60 CO 0.17 0.77 -1.14 -0.37 -2.88 0.00 0.00 179.24 175.79 1do9 h VAL 61 N 1.05 1.43 0.00 2.25 -1.51 -1.55 -3.48 116.25 114.44 1do9 h VAL 61 Ca 0.27 -3.14 0.00 0.00 -1.23 0.00 0.00 66.70 62.60 1do9 h VAL 61 Cb 0.03 2.70 0.00 0.00 -2.13 0.00 0.00 31.29 31.89 1do9 h VAL 61 CO -0.04 0.81 0.00 0.61 -1.23 0.00 0.00 177.57 177.72 1do9 n GLY 62 N 1.39 2.71 1.39 5.19 0.00 0.13 -4.96 105.19 111.03 1do9 n GLY 62 Ca -0.04 -0.35 0.17 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.49 -4.13 1.61 8.25 -1.24 -4.78 115.22 111.45 1do9 n HIS 63 Ca 0.00 1.82 -0.22 0.00 -0.26 0.00 0.00 57.72 59.05 1do9 n HIS 63 Cb 0.00 -3.17 -0.05 0.00 1.12 0.00 0.00 29.99 27.89 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 -6.89 5.14 0.45 0.41 0.01 -1.26 -5.00 113.70 106.56 1do9 s SER 64 Ca 0.00 -0.44 0.11 0.00 1.31 0.00 0.00 55.95 56.93 1do9 s SER 64 Cb 0.00 -1.13 1.00 0.00 0.21 0.00 0.00 66.02 66.10 1do9 s SER 64 CO 0.00 -0.09 2.07 0.74 0.41 0.00 0.00 173.24 176.37 1do9 h THR 65 N 1.58 1.04 -0.59 1.44 2.02 -1.97 -0.80 112.91 115.63 1do9 h THR 65 Ca -0.46 -0.13 0.04 0.00 0.77 0.00 0.00 66.41 66.63 1do9 h THR 65 Cb 1.24 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 68.25 1do9 h THR 65 CO 0.61 0.07 0.34 0.44 0.37 0.00 0.00 175.52 177.34 1do9 h ASP 66 N 0.38 0.52 -0.11 4.18 3.32 -1.99 0.11 116.42 122.83 1do9 h ASP 66 Ca 0.13 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1do9 h ASP 66 Cb 0.05 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1do9 h ASP 66 CO -0.03 0.36 0.05 0.00 -1.72 0.00 0.00 179.24 177.90 1do9 h ALA 67 N 1.28 0.15 0.00 3.45 0.00 -1.61 -2.46 119.26 120.08 1do9 h ALA 67 Ca 0.25 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1do9 h ALA 67 Cb 0.09 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1do9 h ALA 67 CO -0.13 -0.28 -0.01 -0.09 0.00 0.00 0.00 179.25 178.74 1do9 h ARG 68 N 0.04 0.00 0.17 0.00 2.43 -0.19 -1.70 114.38 115.13 1do9 h ARG 68 Ca 0.04 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.94 1do9 h ARG 68 Cb 0.15 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.72 1do9 h ARG 68 CO -0.00 0.01 -1.23 0.93 -1.51 0.00 0.00 179.97 178.16 1do9 h GLU 69 N 0.00 0.36 -0.38 0.20 5.08 -0.38 -3.10 114.58 116.35 1do9 h GLU 69 Ca -0.00 -0.61 0.11 0.00 -1.00 0.00 0.00 59.36 57.86 1do9 h GLU 69 Cb 0.07 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1do9 h GLU 69 CO 0.00 1.29 0.30 -0.07 -1.00 0.00 0.00 179.01 179.53 1do9 h LEU 70 N -0.18 0.00 -1.09 1.33 3.38 -0.95 0.11 115.31 117.92 1do9 h LEU 70 Ca -0.23 0.00 0.16 0.00 0.09 0.00 0.00 57.88 57.89 1do9 h LEU 70 Cb 1.85 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.51 1do9 h LEU 70 CO 0.16 0.00 0.61 0.28 0.09 0.00 0.00 178.44 179.59 1do9 h SER 71 N 0.00 0.79 0.01 -0.43 0.02 -1.25 -1.17 113.55 111.52 1do9 h SER 71 Ca 0.18 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1do9 h SER 71 Cb 0.77 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.23 1do9 h SER 71 CO -0.00 0.36 -0.01 0.50 -1.14 0.00 0.00 176.83 176.54 1do9 h LYS 72 N 0.81 0.00 -0.00 3.45 3.11 -0.85 -0.54 116.57 122.56 1do9 h LYS 72 Ca 0.52 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.36 1do9 h LYS 72 Cb 0.74 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.97 1do9 h LYS 72 CO -0.30 0.01 -0.40 0.25 -2.81 0.00 0.00 179.45 176.20 1do9 n THR 73 N -4.51 0.00 0.15 1.00 -2.24 -0.47 -4.08 114.28 104.14 1do9 n THR 73 Ca -0.03 -0.05 0.09 0.00 -2.27 0.00 0.00 64.05 61.79 1do9 n THR 73 Cb 0.10 0.31 -0.14 0.00 -2.10 0.00 0.00 70.33 68.50 1do9 n THR 73 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1do9 n PHE 74 N -1.14 0.00 -1.76 4.78 3.72 -0.29 -4.90 117.46 117.88 1do9 n PHE 74 Ca 0.08 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.06 1do9 n PHE 74 Cb 0.34 -0.36 -0.03 0.00 -0.94 0.00 0.00 39.48 38.49 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 -3.22 3.17 -0.72 4.37 2.07 -0.71 -0.96 121.20 125.20 1do9 s ILE 75 Ca -0.04 0.20 0.17 0.00 -1.41 0.00 0.00 60.65 59.57 1do9 s ILE 75 Cb 0.13 -3.13 -0.20 0.00 0.13 0.00 0.00 42.46 39.39 1do9 s ILE 75 CO 0.79 -0.02 0.69 2.30 -1.91 0.00 0.00 174.94 176.79 1do9 n ILE 76 N 5.58 0.00 -3.87 2.00 -6.64 -0.66 -4.93 119.36 110.84 1do9 n ILE 76 Ca 0.19 -0.13 0.00 0.00 -1.77 0.00 0.00 62.75 61.04 1do9 n ILE 76 Cb 0.42 0.90 0.00 0.00 -1.44 0.00 0.00 39.64 39.52 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 1.41 0.57 3.23 3.28 0.00 -1.15 -4.61 105.19 107.92 1do9 n GLY 77 Ca 0.02 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.00 1.14 0.35 1.61 2.02 -1.26 -2.19 118.70 118.36 1do9 s GLU 78 Ca 0.03 -1.57 -0.27 0.00 0.02 0.00 0.00 54.97 53.18 1do9 s GLU 78 Cb -0.00 -0.07 -0.09 0.00 0.10 0.00 0.00 34.13 34.07 1do9 s GLU 78 CO -0.00 -0.23 1.16 -0.51 0.02 0.00 0.00 175.26 175.69 1do9 s LEU 79 N -3.17 4.33 0.92 1.80 1.02 -1.25 -1.24 118.68 121.09 1do9 s LEU 79 Ca 0.29 2.34 -0.11 0.00 0.02 0.00 0.00 54.13 56.67 1do9 s LEU 79 Cb 0.07 -3.86 0.15 0.00 0.02 0.00 0.00 46.19 42.56 1do9 s LEU 79 CO 0.06 -0.47 1.11 -1.00 0.02 0.00 0.00 176.35 176.07 1do9 s HIS 80 N -1.32 1.85 -1.14 0.29 3.76 -0.75 -4.82 115.29 113.17 1do9 s HIS 80 Ca 0.52 1.60 -0.21 0.00 -0.15 0.00 0.00 55.06 56.81 1do9 s HIS 80 Cb -0.31 -3.23 -0.07 0.00 1.11 0.00 0.00 32.58 30.08 1do9 s HIS 80 CO 0.40 -2.71 1.91 -0.35 -0.85 0.00 0.00 174.74 173.14 1do9 n PRO 81 N -4.15 1.89 0.04 8.40 -0.04 -1.26 -3.74 135.00 136.13 1do9 n PRO 81 Ca 0.09 -2.49 0.00 0.00 -0.04 0.00 0.00 63.50 61.06 1do9 n PRO 81 Cb 0.53 -3.52 0.00 0.00 -0.04 0.00 0.00 33.50 30.47 1do9 n PRO 81 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1do9 n ASP 82 N 11.79 -0.50 -0.03 3.54 2.03 -1.26 -4.79 116.55 127.32 1do9 n ASP 82 Ca 0.47 0.15 -0.15 0.00 0.52 0.00 0.00 54.79 55.77 1do9 n ASP 82 Cb 0.45 0.72 -0.09 0.00 -0.72 0.00 0.00 41.12 41.47 1do9 n ASP 82 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1do9 h ASP 83 N 0.00 0.43 1.13 1.67 3.58 -1.96 -3.08 116.42 118.18 1do9 h ASP 83 Ca 0.00 -0.65 0.00 0.00 0.42 0.00 0.00 57.03 56.80 1do9 h ASP 83 Cb 0.00 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 40.92 1do9 h ASP 83 CO 0.00 1.01 -0.41 -0.09 -2.88 0.00 0.00 179.24 176.87 1do9 h ARG 84 N -0.13 0.00 -6.38 0.28 9.65 -1.93 -3.47 114.38 112.40 1do9 h ARG 84 Ca -0.02 0.00 -0.45 0.00 -1.10 0.00 0.00 59.98 58.40 1do9 h ARG 84 Cb 1.01 0.00 -0.23 0.00 -1.39 0.00 0.00 29.97 29.36 1do9 h ARG 84 CO 0.07 0.00 -0.66 0.45 2.80 0.00 0.00 179.97 182.63 1do9 n SER 85 N -2.25 -2.36 0.00 -3.80 2.88 -1.17 -4.79 113.62 102.14 1do9 n SER 85 Ca 0.04 -0.73 0.00 0.00 -1.33 0.00 0.00 58.87 56.85 1do9 n SER 85 Cb 0.45 -2.01 0.00 0.00 -0.75 0.00 0.00 64.21 61.90 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 -3.78 1.36 0.13 -1.46 0.00 -1.26 -4.66 118.16 108.49 1do9 n LYS 86 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 58.31 58.36 1do9 n LYS 86 Cb 0.48 -0.91 0.16 0.00 0.00 0.00 0.00 35.03 34.77 1do9 n LYS 86 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1do9 h LEU 87 N 0.00 0.05 -8.08 3.14 4.07 -1.92 -3.47 115.31 109.10 1do9 h LEU 87 Ca 0.00 -0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 1do9 h LEU 87 Cb 0.81 -0.01 -0.04 0.00 1.08 0.00 0.00 40.66 42.49 1do9 h LEU 87 CO 0.00 0.65 0.15 -0.55 -1.08 0.00 0.00 178.44 177.61 1do9 s SER 88 N -6.86 -0.04 0.13 -0.43 0.15 -1.26 -5.01 113.70 100.37 1do9 s SER 88 Ca -0.02 -0.92 0.00 0.00 0.70 0.00 0.00 55.95 55.72 1do9 s SER 88 Cb 0.13 0.74 0.00 0.00 -1.71 0.00 0.00 66.02 65.18 1do9 s SER 88 CO 0.77 -1.42 0.00 1.17 1.20 0.00 0.00 173.24 174.95 1do9 n LYS 89 N -0.48 -2.44 -0.79 5.44 0.00 -1.26 -4.54 118.16 114.09 1do9 n LYS 89 Ca -0.05 1.89 -0.28 0.00 0.00 0.00 0.00 58.31 59.88 1do9 n LYS 89 Cb 0.60 -1.89 0.25 0.00 0.00 0.00 0.00 35.03 33.98 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 0.45 -3.44 -4.40 1.64 -0.04 -1.26 -4.47 135.00 123.47 1do9 n PRO 90 Ca 0.00 -1.57 -0.20 0.00 -0.04 0.00 0.00 63.50 61.69 1do9 n PRO 90 Cb 0.00 -1.60 -0.10 0.00 -0.04 0.00 0.00 33.50 31.76 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 -5.23 1.53 0.00 0.54 1.75 -1.26 -4.86 119.30 111.77 1do9 s MET 91 Ca 0.66 -1.82 0.00 0.00 -1.25 0.00 0.00 55.69 53.27 1do9 s MET 91 Cb -0.08 -0.79 0.00 0.00 2.84 0.00 0.00 34.83 36.81 1do9 s MET 91 CO 0.51 -0.14 0.00 -1.91 -0.65 0.00 0.00 175.02 172.83 1do9 n GLU 92 N -0.58 0.00 -1.90 4.11 2.13 -1.26 -4.90 120.64 118.24 1do9 n GLU 92 Ca -0.03 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.37 1do9 n GLU 92 Cb 0.65 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.34 1do9 n GLU 92 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1do9 s THR 93 N 0.00 2.49 -2.00 6.31 2.01 -1.26 -5.36 115.64 117.83 1do9 s THR 93 Ca 0.00 0.37 0.17 0.00 0.31 0.00 0.00 61.69 62.54 1do9 s THR 93 Cb 0.00 -3.24 0.50 0.00 0.01 0.00 0.00 72.50 69.77 1do9 s THR 93 CO 0.00 0.04 1.44 0.18 -0.69 0.00 0.00 174.62 175.59